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 |
|
|
574675 |
2m8j   |
19259 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -11.285 8.547 4.742
2 HA2 GLY 1 HA2 GLY 1 -13.474 7.786 5.477
3 HA3 GLY 1 HA3 GLY 1 -13.646 9.332 6.343
4 H LEU 2 H LEU 2 -15.543 8.521 4.558
5 HA LEU 2 HA LEU 2 -16.824 9.186 2.840
6 HB2 LEU 2 HB2 LEU 2 -15.164 11.713 2.747
7 HB3 LEU 2 HB3 LEU 2 -16.795 11.493 2.136
8 HG LEU 2 HG LEU 2 -16.041 11.271 5.097
9 HD11 LEU 2 HD11 LEU 2 -17.079 13.589 3.474
10 HD12 LEU 2 HD12 LEU 2 -15.561 13.484 4.382
11 HD13 LEU 2 HD13 LEU 2 -17.098 13.522 5.266
12 HD21 LEU 2 HD21 LEU 2 -18.736 11.436 3.684
13 HD22 LEU 2 HD22 LEU 2 -18.502 11.548 5.435
14 HD23 LEU 2 HD23 LEU 2 -18.102 10.052 4.587
15 H GLU 3 H GLU 3 -14.949 7.378 2.159
16 HA GLU 3 HA GLU 3 -14.225 8.081 -0.627
17 HB2 GLU 3 HB2 GLU 3 -12.176 6.877 -0.417
18 HB3 GLU 3 HB3 GLU 3 -12.207 8.081 0.855
19 HG2 GLU 3 HG2 GLU 3 -12.845 5.118 1.270
20 HG3 GLU 3 HG3 GLU 3 -11.276 5.868 1.534
21 H HIS 4 H HIS 4 -13.446 5.456 -1.352
22 HA HIS 4 HA HIS 4 -16.009 3.964 -1.087
23 HB2 HIS 4 HB2 HIS 4 -13.994 3.915 -3.354
24 HB3 HIS 4 HB3 HIS 4 -15.502 2.999 -3.272
25 HD1 HIS 4 HD1 HIS 4 -14.471 5.682 -5.224
26 HD2 HIS 4 HD2 HIS 4 -17.566 5.240 -2.388
27 HE1 HIS 4 HE1 HIS 4 -16.107 7.535 -5.676
28 H MET 5 H MET 5 -15.491 1.473 -1.499
29 HA MET 5 HA MET 5 -13.090 0.785 0.162
30 HB2 MET 5 HB2 MET 5 -15.840 -0.503 0.155
31 HB3 MET 5 HB3 MET 5 -14.409 -1.119 1.002
32 HG2 MET 5 HG2 MET 5 -14.282 0.948 2.344
33 HG3 MET 5 HG3 MET 5 -15.670 1.608 1.478
34 HE1 MET 5 HE1 MET 5 -15.863 -1.834 4.571
35 HE2 MET 5 HE2 MET 5 -15.124 -2.107 2.980
36 HE3 MET 5 HE3 MET 5 -14.399 -0.941 4.110
37 H ALA 6 H ALA 6 -12.111 0.883 -2.134
38 HA ALA 6 HA ALA 6 -12.808 -1.341 -3.899
39 HB1 ALA 6 HB1 ALA 6 -11.984 0.845 -4.801
40 HB2 ALA 6 HB2 ALA 6 -10.457 0.619 -3.925
41 HB3 ALA 6 HB3 ALA 6 -10.895 -0.486 -5.232
42 H ASP 7 H ASP 7 -10.844 -2.798 -4.522
43 HA ASP 7 HA ASP 7 -9.965 -3.993 -2.046
44 HB2 ASP 7 HB2 ASP 7 -9.345 -4.754 -4.905
45 HB3 ASP 7 HB3 ASP 7 -8.873 -5.711 -3.510
46 H GLU 8 H GLU 8 -8.846 -1.414 -3.578
47 HA GLU 8 HA GLU 8 -5.966 -1.594 -3.537
48 HB2 GLU 8 HB2 GLU 8 -7.223 0.005 -4.925
49 HB3 GLU 8 HB3 GLU 8 -8.049 0.646 -3.500
50 HG2 GLU 8 HG2 GLU 8 -5.794 1.436 -2.643
51 HG3 GLU 8 HG3 GLU 8 -5.133 0.985 -4.223
52 H GLU 9 H GLU 9 -8.555 -0.902 -1.234
53 HA GLU 9 HA GLU 9 -6.835 0.395 0.736
54 HB2 GLU 9 HB2 GLU 9 -9.179 1.002 0.219
55 HB3 GLU 9 HB3 GLU 9 -9.733 -0.577 0.769
56 HG2 GLU 9 HG2 GLU 9 -9.184 -0.112 3.038
57 HG3 GLU 9 HG3 GLU 9 -8.135 1.248 2.595
58 H LYS 10 H LYS 10 -7.771 -2.840 0.026
59 HA LYS 10 HA LYS 10 -6.900 -3.743 2.786
60 HB2 LYS 10 HB2 LYS 10 -8.750 -5.232 0.941
61 HB3 LYS 10 HB3 LYS 10 -8.356 -5.645 2.591
62 HG2 LYS 10 HG2 LYS 10 -9.702 -4.019 3.534
63 HG3 LYS 10 HG3 LYS 10 -9.622 -2.922 2.165
64 HD2 LYS 10 HD2 LYS 10 -11.234 -5.464 2.278
65 HD3 LYS 10 HD3 LYS 10 -11.856 -3.820 2.387
66 HE2 LYS 10 HE2 LYS 10 -11.294 -3.300 0.117
67 HE3 LYS 10 HE3 LYS 10 -10.243 -4.710 -0.028
68 HZ1 LYS 10 HZ1 LYS 10 -12.054 -5.453 -1.089
69 HZ2 LYS 10 HZ2 LYS 10 -13.139 -4.659 -0.146
70 HZ3 LYS 10 HZ3 LYS 10 -12.409 -5.994 0.440
71 H LEU 11 H LEU 11 -4.747 -3.479 1.811
72 HA LEU 11 HA LEU 11 -3.783 -4.934 -0.315
73 HB2 LEU 11 HB2 LEU 11 -2.499 -3.862 2.213
74 HB3 LEU 11 HB3 LEU 11 -1.527 -4.807 1.116
75 HG LEU 11 HG LEU 11 -1.315 -2.389 0.727
76 HD11 LEU 11 HD11 LEU 11 -1.748 -2.417 -1.788
77 HD12 LEU 11 HD12 LEU 11 -2.527 -3.954 -1.615
78 HD13 LEU 11 HD13 LEU 11 -0.811 -3.773 -1.159
79 HD21 LEU 11 HD21 LEU 11 -4.199 -2.456 -0.237
80 HD22 LEU 11 HD22 LEU 11 -3.133 -1.093 -0.258
81 HD23 LEU 11 HD23 LEU 11 -3.650 -1.730 1.307
82 HA PRO 12 HA PRO 12 -3.635 -9.170 0.665
83 HB2 PRO 12 HB2 PRO 12 -1.098 -9.875 -0.374
84 HB3 PRO 12 HB3 PRO 12 -2.634 -9.796 -1.307
85 HG2 PRO 12 HG2 PRO 12 -0.364 -7.870 -1.176
86 HG3 PRO 12 HG3 PRO 12 -1.502 -8.165 -2.508
87 HD2 PRO 12 HD2 PRO 12 -1.581 -6.006 -0.787
88 HD3 PRO 12 HD3 PRO 12 -2.996 -6.604 -1.685
89 HA PRO 13 HA PRO 13 -1.215 -9.988 4.221
90 HB2 PRO 13 HB2 PRO 13 -0.284 -12.582 3.939
91 HB3 PRO 13 HB3 PRO 13 -1.957 -12.129 4.366
92 HG2 PRO 13 HG2 PRO 13 -0.898 -12.855 1.646
93 HG3 PRO 13 HG3 PRO 13 -2.392 -13.425 2.440
94 HD2 PRO 13 HD2 PRO 13 -2.421 -11.427 0.630
95 HD3 PRO 13 HD3 PRO 13 -3.477 -11.354 2.073
96 H GLY 14 H GLY 14 0.679 -9.501 4.814
97 HA2 GLY 14 HA2 GLY 14 3.021 -9.296 4.931
98 HA3 GLY 14 HA3 GLY 14 3.155 -9.791 3.247
99 H TRP 15 H TRP 15 1.022 -7.801 2.348
100 HA TRP 15 HA TRP 15 2.904 -5.564 2.131
101 HB2 TRP 15 HB2 TRP 15 0.334 -6.256 0.708
102 HB3 TRP 15 HB3 TRP 15 1.230 -4.779 0.444
103 HD1 TRP 15 HD1 TRP 15 1.599 -8.576 -0.143
104 HE1 TRP 15 HE1 TRP 15 3.303 -8.922 -2.080
105 HE3 TRP 15 HE3 TRP 15 3.327 -3.819 -0.542
106 HZ2 TRP 15 HZ2 TRP 15 5.181 -7.339 -3.521
107 HZ3 TRP 15 HZ3 TRP 15 5.042 -3.222 -2.221
108 HH2 TRP 15 HH2 TRP 15 6.020 -4.969 -3.702
109 H GLU 16 H GLU 16 2.385 -3.467 2.576
110 HA GLU 16 HA GLU 16 0.047 -2.779 4.277
111 HB2 GLU 16 HB2 GLU 16 3.035 -2.288 4.717
112 HB3 GLU 16 HB3 GLU 16 1.782 -1.363 5.537
113 HG2 GLU 16 HG2 GLU 16 1.283 -4.233 5.852
114 HG3 GLU 16 HG3 GLU 16 2.920 -3.819 6.344
115 H LYS 17 H LYS 17 -0.851 -0.884 3.515
116 HA LYS 17 HA LYS 17 0.468 0.626 1.344
117 HB2 LYS 17 HB2 LYS 17 -1.858 0.042 1.109
118 HB3 LYS 17 HB3 LYS 17 -2.262 0.725 2.688
119 HG2 LYS 17 HG2 LYS 17 -1.655 3.015 1.827
120 HG3 LYS 17 HG3 LYS 17 -1.319 2.307 0.246
121 HD2 LYS 17 HD2 LYS 17 -3.696 1.417 0.190
122 HD3 LYS 17 HD3 LYS 17 -3.987 2.175 1.770
123 HE2 LYS 17 HE2 LYS 17 -3.537 4.377 0.858
124 HE3 LYS 17 HE3 LYS 17 -3.097 3.686 -0.710
125 HZ1 LYS 17 HZ1 LYS 17 -5.811 3.574 0.507
126 HZ2 LYS 17 HZ2 LYS 17 -5.393 2.872 -0.924
127 HZ3 LYS 17 HZ3 LYS 17 -5.351 4.488 -0.763
128 H ARG 18 H ARG 18 1.950 2.100 2.033
129 HA ARG 18 HA ARG 18 1.170 3.788 4.363
130 HB2 ARG 18 HB2 ARG 18 4.041 3.105 3.664
131 HB3 ARG 18 HB3 ARG 18 3.403 3.814 5.130
132 HG2 ARG 18 HG2 ARG 18 2.122 1.433 5.279
133 HG3 ARG 18 HG3 ARG 18 3.443 0.920 4.245
134 HD2 ARG 18 HD2 ARG 18 5.070 1.792 5.896
135 HD3 ARG 18 HD3 ARG 18 3.743 2.283 6.952
136 HE ARG 18 HE ARG 18 3.106 0.024 7.317
137 HH11 ARG 18 HH11 ARG 18 6.450 0.440 6.102
138 HH12 ARG 18 HH12 ARG 18 6.918 -1.161 6.603
139 HH21 ARG 18 HH21 ARG 18 3.831 -2.075 7.920
140 HH22 ARG 18 HH22 ARG 18 5.500 -2.533 7.636
141 H MET 19 H MET 19 2.923 5.768 4.338
142 HA MET 19 HA MET 19 2.960 6.882 1.620
143 HB2 MET 19 HB2 MET 19 0.969 7.657 2.900
144 HB3 MET 19 HB3 MET 19 2.044 8.298 4.153
145 HG2 MET 19 HG2 MET 19 3.079 9.770 2.482
146 HG3 MET 19 HG3 MET 19 1.976 9.136 1.235
147 HE1 MET 19 HE1 MET 19 -0.387 12.039 1.292
148 HE2 MET 19 HE2 MET 19 1.339 12.327 1.186
149 HE3 MET 19 HE3 MET 19 0.619 10.908 0.368
150 H GLU 20 H GLU 20 4.791 8.031 1.157
151 HA GLU 20 HA GLU 20 7.064 7.672 2.890
152 HB2 GLU 20 HB2 GLU 20 6.530 9.112 0.259
153 HB3 GLU 20 HB3 GLU 20 8.081 9.309 1.087
154 HG2 GLU 20 HG2 GLU 20 6.958 6.572 0.445
155 HG3 GLU 20 HG3 GLU 20 7.923 7.515 -0.693
156 H ARG 21 H ARG 21 7.915 9.023 4.393
157 HA ARG 21 HA ARG 21 6.458 11.462 5.037
158 HB2 ARG 21 HB2 ARG 21 8.868 9.962 6.139
159 HB3 ARG 21 HB3 ARG 21 8.612 11.627 6.633
160 HG2 ARG 21 HG2 ARG 21 6.509 9.434 6.956
161 HG3 ARG 21 HG3 ARG 21 7.633 9.980 8.214
162 HD2 ARG 21 HD2 ARG 21 6.778 12.344 7.723
163 HD3 ARG 21 HD3 ARG 21 5.412 11.585 6.884
164 HE ARG 21 HE ARG 21 5.304 10.362 9.305
165 HH11 ARG 21 HH11 ARG 21 5.499 13.838 8.345
166 HH12 ARG 21 HH12 ARG 21 4.880 14.338 9.905
167 HH21 ARG 21 HH21 ARG 21 4.595 11.163 11.307
168 HH22 ARG 21 HH22 ARG 21 4.252 12.870 11.486
169 H SER 22 H SER 22 9.242 10.691 3.070
170 HA SER 22 HA SER 22 10.464 13.247 3.167
171 HB2 SER 22 HB2 SER 22 11.154 10.838 2.174
172 HB3 SER 22 HB3 SER 22 10.669 11.615 0.661
173 HG SER 22 HG SER 22 12.922 11.758 1.727
174 H SER 23 H SER 23 8.268 11.940 0.510
175 HA SER 23 HA SER 23 7.718 14.800 -0.208
176 HB2 SER 23 HB2 SER 23 7.238 12.304 -1.871
177 HB3 SER 23 HB3 SER 23 7.137 13.983 -2.388
178 HG SER 23 HG SER 23 9.362 12.393 -1.774
179 H GLY 24 H GLY 24 6.116 12.001 1.200
180 HA2 GLY 24 HA2 GLY 24 3.913 11.893 1.900
181 HA3 GLY 24 HA3 GLY 24 3.591 13.457 1.145
182 H ARG 25 H ARG 25 4.596 10.106 0.169
183 HA ARG 25 HA ARG 25 2.589 10.258 -2.009
184 HB2 ARG 25 HB2 ARG 25 5.155 10.618 -2.675
185 HB3 ARG 25 HB3 ARG 25 5.237 8.870 -2.472
186 HG2 ARG 25 HG2 ARG 25 4.675 9.156 -4.772
187 HG3 ARG 25 HG3 ARG 25 3.131 8.762 -3.989
188 HD2 ARG 25 HD2 ARG 25 2.748 10.600 -5.503
189 HD3 ARG 25 HD3 ARG 25 2.622 11.214 -3.860
190 HE ARG 25 HE ARG 25 5.274 11.511 -5.012
191 HH11 ARG 25 HH11 ARG 25 2.000 12.993 -4.877
192 HH12 ARG 25 HH12 ARG 25 2.580 14.528 -5.426
193 HH21 ARG 25 HH21 ARG 25 6.014 13.681 -5.384
194 HH22 ARG 25 HH22 ARG 25 4.860 14.932 -5.668
195 H VAL 26 H VAL 26 1.243 8.557 -1.950
196 HA VAL 26 HA VAL 26 1.642 6.558 0.114
197 HB VAL 26 HB VAL 26 -0.621 6.851 -1.877
198 HG11 VAL 26 HG11 VAL 26 -0.460 5.358 0.790
199 HG12 VAL 26 HG12 VAL 26 -1.916 5.581 -0.203
200 HG13 VAL 26 HG13 VAL 26 -0.571 4.603 -0.816
201 HG21 VAL 26 HG21 VAL 26 -1.785 7.988 0.009
202 HG22 VAL 26 HG22 VAL 26 -0.306 7.899 0.976
203 HG23 VAL 26 HG23 VAL 26 -0.360 8.884 -0.497
204 H TYR 27 H TYR 27 1.933 4.291 -0.213
205 HA TYR 27 HA TYR 27 2.292 3.186 -2.855
206 HB2 TYR 27 HB2 TYR 27 4.627 2.764 -2.713
207 HB3 TYR 27 HB3 TYR 27 4.436 4.477 -2.429
208 HD1 TYR 27 HD2 TYR 27 4.279 5.216 0.156
209 HD2 TYR 27 HD1 TYR 27 6.041 1.573 -1.318
210 HE1 TYR 27 HE2 TYR 27 5.505 4.980 2.271
211 HE2 TYR 27 HE1 TYR 27 7.297 1.329 0.798
212 HH TYR 27 HH TYR 27 7.196 3.794 3.390
213 H TYR 28 H TYR 28 3.535 0.862 -2.265
214 HA TYR 28 HA TYR 28 2.142 -0.242 0.117
215 HB2 TYR 28 HB2 TYR 28 2.721 -1.644 -2.516
216 HB3 TYR 28 HB3 TYR 28 1.838 -2.280 -1.138
217 HD1 TYR 28 HD1 TYR 28 -0.149 -0.548 -0.335
218 HD2 TYR 28 HD2 TYR 28 1.390 -0.959 -4.328
219 HE1 TYR 28 HE1 TYR 28 -2.195 0.536 -1.217
220 HE2 TYR 28 HE2 TYR 28 -0.665 0.088 -5.227
221 HH TYR 28 HH TYR 28 -2.365 1.607 -4.608
222 H PHE 29 H PHE 29 3.414 -1.678 1.397
223 HA PHE 29 HA PHE 29 6.253 -2.104 0.617
224 HB2 PHE 29 HB2 PHE 29 6.047 -0.171 2.192
225 HB3 PHE 29 HB3 PHE 29 5.254 -1.230 3.356
226 HD1 PHE 29 HD2 PHE 29 6.581 -3.193 4.351
227 HD2 PHE 29 HD1 PHE 29 8.432 -0.180 1.864
228 HE1 PHE 29 HE2 PHE 29 8.839 -3.997 4.996
229 HE2 PHE 29 HE1 PHE 29 10.661 -0.975 2.552
230 HZ PHE 29 HZ PHE 29 10.871 -2.858 4.130
231 H ASN 30 H ASN 30 6.777 -4.189 0.804
232 HA ASN 30 HA ASN 30 4.915 -6.096 2.116
233 HB2 ASN 30 HB2 ASN 30 5.725 -6.478 -0.204
234 HB3 ASN 30 HB3 ASN 30 7.345 -6.698 0.428
235 HD21 ASN 30 HD21 ASN 30 6.521 -8.906 -0.894
236 HD22 ASN 30 HD22 ASN 30 5.964 -10.122 0.217
237 H HIS 31 H HIS 31 5.374 -6.234 4.304
238 HA HIS 31 HA HIS 31 8.055 -5.840 5.326
239 HB2 HIS 31 HB2 HIS 31 7.166 -6.253 7.463
240 HB3 HIS 31 HB3 HIS 31 5.964 -5.311 6.588
241 HD1 HIS 31 HD1 HIS 31 6.545 -9.069 7.639
242 HD2 HIS 31 HD2 HIS 31 3.567 -6.342 6.415
243 HE1 HIS 31 HE1 HIS 31 4.362 -10.220 7.983
244 H ILE 32 H ILE 32 6.526 -8.596 3.953
245 HA ILE 32 HA ILE 32 7.862 -10.626 5.510
246 HB ILE 32 HB ILE 32 6.533 -10.667 2.785
247 HG12 ILE 32 HG12 ILE 32 5.788 -11.998 5.424
248 HG13 ILE 32 HG13 ILE 32 5.147 -10.444 4.881
249 HG21 ILE 32 HG21 ILE 32 6.749 -13.135 2.772
250 HG22 ILE 32 HG22 ILE 32 8.254 -12.294 2.537
251 HG23 ILE 32 HG23 ILE 32 7.881 -13.017 4.133
252 HD11 ILE 32 HD11 ILE 32 3.509 -12.110 4.362
253 HD12 ILE 32 HD12 ILE 32 4.235 -11.584 2.825
254 HD13 ILE 32 HD13 ILE 32 4.695 -13.133 3.545
255 H THR 33 H THR 33 8.611 -9.015 2.390
256 HA THR 33 HA THR 33 11.330 -10.241 2.615
257 HB THR 33 HB THR 33 9.707 -11.098 0.868
258 HG1 THR 33 HG1 THR 33 12.184 -10.129 -0.039
259 HG21 THR 33 HG21 THR 33 8.881 -8.898 0.103
260 HG22 THR 33 HG22 THR 33 9.510 -9.895 -1.209
261 HG23 THR 33 HG23 THR 33 10.496 -8.568 -0.578
262 H ASN 34 H ASN 34 9.884 -7.450 3.271
263 HA ASN 34 HA ASN 34 10.570 -5.312 3.445
264 HB2 ASN 34 HB2 ASN 34 12.630 -6.658 4.329
265 HB3 ASN 34 HB3 ASN 34 13.395 -6.204 2.830
266 HD21 ASN 34 HD21 ASN 34 12.291 -5.247 5.929
267 HD22 ASN 34 HD22 ASN 34 12.792 -3.567 5.951
268 H ALA 35 H ALA 35 9.364 -5.739 1.238
269 HA ALA 35 HA ALA 35 10.928 -4.443 -0.959
270 HB1 ALA 35 HB1 ALA 35 8.735 -6.565 -1.109
271 HB2 ALA 35 HB2 ALA 35 9.260 -5.618 -2.488
272 HB3 ALA 35 HB3 ALA 35 10.418 -6.676 -1.665
273 H SER 36 H SER 36 9.218 -3.349 -2.510
274 HA SER 36 HA SER 36 6.830 -2.374 -1.340
275 HB2 SER 36 HB2 SER 36 7.462 -0.108 -1.020
276 HB3 SER 36 HB3 SER 36 8.704 -1.109 -0.286
277 HG SER 36 HG SER 36 9.782 0.382 -1.259
278 H GLN 37 H GLN 37 5.597 -1.085 -2.887
279 HA GLN 37 HA GLN 37 6.689 -0.604 -5.456
280 HB2 GLN 37 HB2 GLN 37 4.873 -3.006 -4.980
281 HB3 GLN 37 HB3 GLN 37 4.563 -2.056 -6.412
282 HG2 GLN 37 HG2 GLN 37 7.346 -2.460 -6.519
283 HG3 GLN 37 HG3 GLN 37 6.705 -3.998 -5.938
284 HE21 GLN 37 HE21 GLN 37 4.927 -5.011 -7.340
285 HE22 GLN 37 HE22 GLN 37 4.777 -4.494 -9.018
286 H TRP 38 H TRP 38 4.811 0.276 -6.881
287 HA TRP 38 HA TRP 38 2.991 1.930 -5.219
288 HB2 TRP 38 HB2 TRP 38 3.810 2.356 -8.104
289 HB3 TRP 38 HB3 TRP 38 3.000 3.492 -7.034
290 HD1 TRP 38 HD1 TRP 38 6.377 1.886 -7.709
291 HE1 TRP 38 HE1 TRP 38 8.247 3.315 -6.687
292 HE3 TRP 38 HE3 TRP 38 3.506 5.182 -5.066
293 HZ2 TRP 38 HZ2 TRP 38 8.467 5.459 -4.732
294 HZ3 TRP 38 HZ3 TRP 38 4.551 6.866 -3.603
295 HH2 TRP 38 HH2 TRP 38 7.024 7.019 -3.413
296 H GLU 39 H GLU 39 3.099 -0.507 -7.791
297 HA GLU 39 HA GLU 39 0.299 -0.162 -8.507
298 HB2 GLU 39 HB2 GLU 39 0.707 -2.092 -9.964
299 HB3 GLU 39 HB3 GLU 39 1.931 -0.828 -10.185
300 HG2 GLU 39 HG2 GLU 39 3.549 -2.114 -8.849
301 HG3 GLU 39 HG3 GLU 39 2.335 -3.374 -8.553
302 H ARG 40 H ARG 40 -1.398 -1.692 -7.997
303 HA ARG 40 HA ARG 40 -1.415 -2.611 -5.361
304 HB2 ARG 40 HB2 ARG 40 -3.153 -3.112 -7.770
305 HB3 ARG 40 HB3 ARG 40 -3.438 -4.020 -6.288
306 HG2 ARG 40 HG2 ARG 40 -3.962 -2.072 -5.030
307 HG3 ARG 40 HG3 ARG 40 -3.236 -0.995 -6.223
308 HD2 ARG 40 HD2 ARG 40 -5.698 -0.897 -6.340
309 HD3 ARG 40 HD3 ARG 40 -5.011 -1.510 -7.845
310 HE ARG 40 HE ARG 40 -5.662 -3.654 -6.052
311 HH11 ARG 40 HH11 ARG 40 -7.426 -1.309 -8.020
312 HH12 ARG 40 HH12 ARG 40 -8.737 -2.372 -8.425
313 HH21 ARG 40 HH21 ARG 40 -7.301 -5.115 -6.601
314 HH22 ARG 40 HH22 ARG 40 -8.742 -4.584 -7.386
315 HA PRO 41 HA PRO 41 1.020 -6.410 -6.093
316 HB2 PRO 41 HB2 PRO 41 1.325 -7.180 -3.509
317 HB3 PRO 41 HB3 PRO 41 2.206 -5.798 -4.210
318 HG2 PRO 41 HG2 PRO 41 -0.345 -5.766 -2.595
319 HG3 PRO 41 HG3 PRO 41 1.109 -4.775 -2.307
320 HD2 PRO 41 HD2 PRO 41 -1.046 -3.835 -3.683
321 HD3 PRO 41 HD3 PRO 41 0.615 -3.385 -4.150
322 H SER 42 H SER 42 0.741 -8.769 -5.171
323 HA SER 42 HA SER 42 -1.978 -9.455 -4.461
324 HB2 SER 42 HB2 SER 42 -1.854 -11.192 -6.406
325 HB3 SER 42 HB3 SER 42 -2.321 -9.528 -6.776
326 HG SER 42 HG SER 42 -0.533 -9.184 -7.830
327 H GLY 43 H GLY 43 -1.798 -10.802 -2.911
328 HA2 GLY 43 HA2 GLY 43 0.607 -12.531 -2.477
329 HA3 GLY 43 HA3 GLY 43 -0.612 -12.107 -1.245
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -24.202 0.888 4.912
2 HA2 GLY 1 HA2 GLY 1 -24.282 2.927 6.275
3 HA3 GLY 1 HA3 GLY 1 -22.684 2.486 6.898
4 H LEU 2 H LEU 2 -20.892 2.302 5.237
5 HA LEU 2 HA LEU 2 -20.887 4.679 3.551
6 HB2 LEU 2 HB2 LEU 2 -18.832 2.472 4.037
7 HB3 LEU 2 HB3 LEU 2 -18.665 3.781 2.867
8 HG LEU 2 HG LEU 2 -18.918 5.448 4.746
9 HD11 LEU 2 HD11 LEU 2 -18.281 4.693 7.015
10 HD12 LEU 2 HD12 LEU 2 -18.307 2.995 6.476
11 HD13 LEU 2 HD13 LEU 2 -19.802 3.952 6.544
12 HD21 LEU 2 HD21 LEU 2 -16.549 5.205 5.337
13 HD22 LEU 2 HD22 LEU 2 -16.826 4.914 3.635
14 HD23 LEU 2 HD23 LEU 2 -16.549 3.526 4.715
15 H GLU 3 H GLU 3 -22.207 4.483 1.776
16 HA GLU 3 HA GLU 3 -22.500 1.999 0.323
17 HB2 GLU 3 HB2 GLU 3 -23.341 4.865 -0.198
18 HB3 GLU 3 HB3 GLU 3 -23.778 3.513 -1.263
19 HG2 GLU 3 HG2 GLU 3 -25.102 2.457 0.369
20 HG3 GLU 3 HG3 GLU 3 -24.395 3.350 1.704
21 H HIS 4 H HIS 4 -20.931 5.132 -0.381
22 HA HIS 4 HA HIS 4 -19.719 4.405 -2.819
23 HB2 HIS 4 HB2 HIS 4 -18.503 6.574 -2.422
24 HB3 HIS 4 HB3 HIS 4 -20.248 6.661 -2.212
25 HD1 HIS 4 HD1 HIS 4 -21.058 7.644 0.058
26 HD2 HIS 4 HD2 HIS 4 -17.063 6.271 0.059
27 HE1 HIS 4 HE1 HIS 4 -20.134 8.015 2.436
28 H MET 5 H MET 5 -18.702 3.042 0.107
29 HA MET 5 HA MET 5 -15.844 3.537 -0.126
30 HB2 MET 5 HB2 MET 5 -15.525 1.836 1.520
31 HB3 MET 5 HB3 MET 5 -16.955 2.733 1.999
32 HG2 MET 5 HG2 MET 5 -18.385 0.936 1.028
33 HG3 MET 5 HG3 MET 5 -16.951 0.074 0.504
34 HE1 MET 5 HE1 MET 5 -16.287 -1.967 1.566
35 HE2 MET 5 HE2 MET 5 -17.165 -2.578 2.978
36 HE3 MET 5 HE3 MET 5 -18.063 -2.047 1.536
37 H ALA 6 H ALA 6 -14.256 1.641 -0.430
38 HA ALA 6 HA ALA 6 -15.121 -0.286 -2.463
39 HB1 ALA 6 HB1 ALA 6 -14.242 1.590 -3.752
40 HB2 ALA 6 HB2 ALA 6 -12.757 1.619 -2.762
41 HB3 ALA 6 HB3 ALA 6 -13.113 0.244 -3.836
42 H ASP 7 H ASP 7 -13.255 -1.853 -2.837
43 HA ASP 7 HA ASP 7 -11.775 -2.329 -0.288
44 HB2 ASP 7 HB2 ASP 7 -13.749 -3.922 -0.932
45 HB3 ASP 7 HB3 ASP 7 -12.575 -4.619 -2.064
46 H GLU 8 H GLU 8 -11.457 -1.911 -3.695
47 HA GLU 8 HA GLU 8 -8.997 -3.205 -4.156
48 HB2 GLU 8 HB2 GLU 8 -8.800 -1.564 -5.996
49 HB3 GLU 8 HB3 GLU 8 -10.401 -2.290 -5.910
50 HG2 GLU 8 HG2 GLU 8 -11.445 -0.316 -5.596
51 HG3 GLU 8 HG3 GLU 8 -10.314 0.235 -4.381
52 H GLU 9 H GLU 9 -9.711 -0.553 -2.199
53 HA GLU 9 HA GLU 9 -7.196 0.908 -2.215
54 HB2 GLU 9 HB2 GLU 9 -9.740 1.591 -1.933
55 HB3 GLU 9 HB3 GLU 9 -9.488 1.143 -0.253
56 HG2 GLU 9 HG2 GLU 9 -7.849 2.935 -0.006
57 HG3 GLU 9 HG3 GLU 9 -7.767 3.162 -1.765
58 H LYS 10 H LYS 10 -8.210 -2.034 -0.830
59 HA LYS 10 HA LYS 10 -6.601 -1.749 1.637
60 HB2 LYS 10 HB2 LYS 10 -8.553 -3.890 0.674
61 HB3 LYS 10 HB3 LYS 10 -7.636 -3.976 2.169
62 HG2 LYS 10 HG2 LYS 10 -9.508 -1.650 1.548
63 HG3 LYS 10 HG3 LYS 10 -10.050 -3.132 2.328
64 HD2 LYS 10 HD2 LYS 10 -8.610 -2.815 4.217
65 HD3 LYS 10 HD3 LYS 10 -7.719 -1.493 3.443
66 HE2 LYS 10 HE2 LYS 10 -9.535 -0.017 3.512
67 HE3 LYS 10 HE3 LYS 10 -10.704 -1.317 3.840
68 HZ1 LYS 10 HZ1 LYS 10 -10.049 0.106 5.767
69 HZ2 LYS 10 HZ2 LYS 10 -8.597 -0.703 5.796
70 HZ3 LYS 10 HZ3 LYS 10 -10.028 -1.508 5.986
71 H LEU 11 H LEU 11 -4.478 -2.099 1.264
72 HA LEU 11 HA LEU 11 -3.553 -3.723 -0.855
73 HB2 LEU 11 HB2 LEU 11 -2.372 -2.574 1.701
74 HB3 LEU 11 HB3 LEU 11 -1.413 -3.689 0.759
75 HG LEU 11 HG LEU 11 -0.969 -1.350 0.251
76 HD11 LEU 11 HD11 LEU 11 -0.489 -3.085 -1.443
77 HD12 LEU 11 HD12 LEU 11 -0.970 -1.579 -2.245
78 HD13 LEU 11 HD13 LEU 11 -2.113 -2.873 -2.143
79 HD21 LEU 11 HD21 LEU 11 -3.751 -1.196 -0.977
80 HD22 LEU 11 HD22 LEU 11 -2.529 0.011 -1.122
81 HD23 LEU 11 HD23 LEU 11 -3.178 -0.336 0.478
82 HA PRO 12 HA PRO 12 -3.965 -7.800 0.631
83 HB2 PRO 12 HB2 PRO 12 -1.666 -9.053 -0.301
84 HB3 PRO 12 HB3 PRO 12 -3.072 -8.604 -1.309
85 HG2 PRO 12 HG2 PRO 12 -0.463 -7.157 -0.904
86 HG3 PRO 12 HG3 PRO 12 -1.355 -7.402 -2.423
87 HD2 PRO 12 HD2 PRO 12 -1.427 -5.091 -0.973
88 HD3 PRO 12 HD3 PRO 12 -2.824 -5.632 -1.937
89 HA PRO 13 HA PRO 13 -1.896 -8.492 4.396
90 HB2 PRO 13 HB2 PRO 13 -1.635 -11.222 4.614
91 HB3 PRO 13 HB3 PRO 13 -3.179 -10.322 4.717
92 HG2 PRO 13 HG2 PRO 13 -2.075 -11.726 2.306
93 HG3 PRO 13 HG3 PRO 13 -3.730 -11.808 3.012
94 HD2 PRO 13 HD2 PRO 13 -3.151 -10.195 0.934
95 HD3 PRO 13 HD3 PRO 13 -4.276 -9.654 2.200
96 H GLY 14 H GLY 14 0.034 -7.816 4.752
97 HA2 GLY 14 HA2 GLY 14 2.369 -8.457 5.241
98 HA3 GLY 14 HA3 GLY 14 2.448 -9.134 3.593
99 H TRP 15 H TRP 15 0.826 -7.004 2.381
100 HA TRP 15 HA TRP 15 3.004 -5.115 2.088
101 HB2 TRP 15 HB2 TRP 15 0.415 -5.569 0.578
102 HB3 TRP 15 HB3 TRP 15 1.506 -4.277 0.222
103 HD1 TRP 15 HD1 TRP 15 1.391 -8.072 -0.137
104 HE1 TRP 15 HE1 TRP 15 3.248 -8.757 -1.766
105 HE3 TRP 15 HE3 TRP 15 3.761 -3.588 -0.563
106 HZ2 TRP 15 HZ2 TRP 15 5.270 -7.416 -3.367
107 HZ3 TRP 15 HZ3 TRP 15 5.622 -3.285 -2.207
108 HH2 TRP 15 HH2 TRP 15 6.390 -5.204 -3.598
109 H GLU 16 H GLU 16 2.807 -2.942 2.511
110 HA GLU 16 HA GLU 16 0.364 -1.855 3.845
111 HB2 GLU 16 HB2 GLU 16 3.294 -1.934 4.653
112 HB3 GLU 16 HB3 GLU 16 2.154 -0.763 5.348
113 HG2 GLU 16 HG2 GLU 16 1.155 -3.572 5.491
114 HG3 GLU 16 HG3 GLU 16 2.676 -3.347 6.307
115 H LYS 17 H LYS 17 -0.218 -0.072 2.870
116 HA LYS 17 HA LYS 17 1.424 1.399 0.982
117 HB2 LYS 17 HB2 LYS 17 -0.994 1.119 0.657
118 HB3 LYS 17 HB3 LYS 17 -1.316 1.925 2.199
119 HG2 LYS 17 HG2 LYS 17 -0.359 4.042 1.314
120 HG3 LYS 17 HG3 LYS 17 -0.031 3.265 -0.241
121 HD2 LYS 17 HD2 LYS 17 -2.388 2.961 -0.689
122 HD3 LYS 17 HD3 LYS 17 -2.810 3.215 1.007
123 HE2 LYS 17 HE2 LYS 17 -2.010 5.588 0.806
124 HE3 LYS 17 HE3 LYS 17 -1.828 5.324 -0.944
125 HZ1 LYS 17 HZ1 LYS 17 -4.147 4.999 -1.145
126 HZ2 LYS 17 HZ2 LYS 17 -3.961 6.333 -0.206
127 HZ3 LYS 17 HZ3 LYS 17 -4.392 4.891 0.465
128 H ARG 18 H ARG 18 3.097 2.561 1.755
129 HA ARG 18 HA ARG 18 2.604 4.349 4.106
130 HB2 ARG 18 HB2 ARG 18 5.127 2.979 3.120
131 HB3 ARG 18 HB3 ARG 18 5.058 4.046 4.521
132 HG2 ARG 18 HG2 ARG 18 3.566 1.382 4.309
133 HG3 ARG 18 HG3 ARG 18 5.112 1.631 5.077
134 HD2 ARG 18 HD2 ARG 18 4.025 3.336 6.600
135 HD3 ARG 18 HD3 ARG 18 2.475 2.968 5.844
136 HE ARG 18 HE ARG 18 2.341 0.943 6.956
137 HH11 ARG 18 HH11 ARG 18 5.493 2.469 7.678
138 HH12 ARG 18 HH12 ARG 18 5.954 1.245 8.801
139 HH21 ARG 18 HH21 ARG 18 2.987 -0.671 8.515
140 HH22 ARG 18 HH22 ARG 18 4.577 -0.517 9.228
141 H MET 19 H MET 19 4.473 6.112 4.002
142 HA MET 19 HA MET 19 4.726 7.138 1.247
143 HB2 MET 19 HB2 MET 19 2.738 8.185 2.256
144 HB3 MET 19 HB3 MET 19 3.722 8.730 3.640
145 HG2 MET 19 HG2 MET 19 5.078 10.099 2.222
146 HG3 MET 19 HG3 MET 19 4.379 9.395 0.759
147 HE1 MET 19 HE1 MET 19 2.640 10.837 4.058
148 HE2 MET 19 HE2 MET 19 4.000 11.907 3.640
149 HE3 MET 19 HE3 MET 19 2.334 12.487 3.471
150 H GLU 20 H GLU 20 6.658 8.057 0.823
151 HA GLU 20 HA GLU 20 8.788 7.569 2.695
152 HB2 GLU 20 HB2 GLU 20 8.671 9.047 0.031
153 HB3 GLU 20 HB3 GLU 20 10.172 8.862 0.939
154 HG2 GLU 20 HG2 GLU 20 8.481 6.530 -0.004
155 HG3 GLU 20 HG3 GLU 20 9.814 7.248 -0.910
156 H ARG 21 H ARG 21 9.758 8.892 4.159
157 HA ARG 21 HA ARG 21 8.483 11.430 4.730
158 HB2 ARG 21 HB2 ARG 21 9.681 9.656 6.316
159 HB3 ARG 21 HB3 ARG 21 11.144 10.527 5.874
160 HG2 ARG 21 HG2 ARG 21 10.416 11.551 7.873
161 HG3 ARG 21 HG3 ARG 21 9.923 12.681 6.623
162 HD2 ARG 21 HD2 ARG 21 8.100 12.467 8.158
163 HD3 ARG 21 HD3 ARG 21 7.613 11.655 6.683
164 HE ARG 21 HE ARG 21 8.880 9.988 8.766
165 HH11 ARG 21 HH11 ARG 21 5.745 10.641 7.150
166 HH12 ARG 21 HH12 ARG 21 4.877 9.744 8.386
167 HH21 ARG 21 HH21 ARG 21 7.795 8.576 9.961
168 HH22 ARG 21 HH22 ARG 21 6.054 8.390 9.864
169 H SER 22 H SER 22 11.373 10.544 2.923
170 HA SER 22 HA SER 22 12.701 13.031 3.067
171 HB2 SER 22 HB2 SER 22 13.452 10.657 2.317
172 HB3 SER 22 HB3 SER 22 12.881 11.124 0.715
173 HG SER 22 HG SER 22 15.110 11.428 1.261
174 H SER 23 H SER 23 10.289 11.855 0.677
175 HA SER 23 HA SER 23 10.095 14.647 -0.380
176 HB2 SER 23 HB2 SER 23 9.681 12.209 -2.084
177 HB3 SER 23 HB3 SER 23 10.022 13.871 -2.579
178 HG SER 23 HG SER 23 11.901 12.776 -2.825
179 H GLY 24 H GLY 24 8.263 11.931 0.901
180 HA2 GLY 24 HA2 GLY 24 6.026 11.989 1.473
181 HA3 GLY 24 HA3 GLY 24 5.862 13.537 0.637
182 H ARG 25 H ARG 25 6.927 10.215 -0.323
183 HA ARG 25 HA ARG 25 5.054 10.413 -2.640
184 HB2 ARG 25 HB2 ARG 25 7.606 10.519 -3.046
185 HB3 ARG 25 HB3 ARG 25 7.611 8.803 -2.630
186 HG2 ARG 25 HG2 ARG 25 7.251 8.546 -4.884
187 HG3 ARG 25 HG3 ARG 25 5.569 8.712 -4.372
188 HD2 ARG 25 HD2 ARG 25 5.634 10.158 -6.170
189 HD3 ARG 25 HD3 ARG 25 5.957 11.275 -4.856
190 HE ARG 25 HE ARG 25 8.298 11.317 -5.450
191 HH11 ARG 25 HH11 ARG 25 6.589 9.198 -7.747
192 HH12 ARG 25 HH12 ARG 25 7.609 9.628 -9.070
193 HH21 ARG 25 HH21 ARG 25 9.798 11.639 -7.224
194 HH22 ARG 25 HH22 ARG 25 9.474 10.818 -8.711
195 H VAL 26 H VAL 26 3.429 8.983 -2.438
196 HA VAL 26 HA VAL 26 3.386 7.026 -0.322
197 HB VAL 26 HB VAL 26 1.428 7.351 -2.620
198 HG11 VAL 26 HG11 VAL 26 1.113 5.263 -1.348
199 HG12 VAL 26 HG12 VAL 26 1.164 6.157 0.188
200 HG13 VAL 26 HG13 VAL 26 -0.168 6.417 -0.954
201 HG21 VAL 26 HG21 VAL 26 0.122 8.782 -1.066
202 HG22 VAL 26 HG22 VAL 26 1.454 8.718 0.116
203 HG23 VAL 26 HG23 VAL 26 1.669 9.517 -1.449
204 H TYR 27 H TYR 27 3.490 4.702 -0.562
205 HA TYR 27 HA TYR 27 4.073 3.512 -3.110
206 HB2 TYR 27 HB2 TYR 27 6.305 2.802 -2.622
207 HB3 TYR 27 HB3 TYR 27 6.259 4.527 -2.371
208 HD1 TYR 27 HD2 TYR 27 6.008 5.458 0.010
209 HD2 TYR 27 HD1 TYR 27 7.192 1.434 -0.905
210 HE1 TYR 27 HE2 TYR 27 6.970 5.239 2.276
211 HE2 TYR 27 HE1 TYR 27 8.157 1.189 1.332
212 HH TYR 27 HH TYR 27 8.139 2.169 3.625
213 H TYR 28 H TYR 28 4.788 1.046 -2.477
214 HA TYR 28 HA TYR 28 3.063 0.173 -0.208
215 HB2 TYR 28 HB2 TYR 28 3.628 -1.195 -2.865
216 HB3 TYR 28 HB3 TYR 28 2.673 -1.825 -1.553
217 HD1 TYR 28 HD1 TYR 28 0.924 0.373 -0.721
218 HD2 TYR 28 HD2 TYR 28 2.208 -0.713 -4.661
219 HE1 TYR 28 HE1 TYR 28 -1.097 1.405 -1.621
220 HE2 TYR 28 HE2 TYR 28 0.163 0.330 -5.616
221 HH TYR 28 HH TYR 28 -1.472 2.541 -4.469
222 H PHE 29 H PHE 29 3.958 -1.330 1.177
223 HA PHE 29 HA PHE 29 6.794 -2.162 0.682
224 HB2 PHE 29 HB2 PHE 29 6.680 -0.187 2.221
225 HB3 PHE 29 HB3 PHE 29 5.680 -1.124 3.316
226 HD1 PHE 29 HD1 PHE 29 9.090 -0.677 1.937
227 HD2 PHE 29 HD2 PHE 29 6.646 -3.135 4.524
228 HE1 PHE 29 HE1 PHE 29 11.098 -1.784 2.806
229 HE2 PHE 29 HE2 PHE 29 8.691 -4.188 5.427
230 HZ PHE 29 HZ PHE 29 10.931 -3.475 4.596
231 H ASN 30 H ASN 30 7.072 -4.248 0.960
232 HA ASN 30 HA ASN 30 4.920 -5.868 2.281
233 HB2 ASN 30 HB2 ASN 30 5.793 -6.424 -0.045
234 HB3 ASN 30 HB3 ASN 30 7.255 -6.989 0.722
235 HD21 ASN 30 HD21 ASN 30 5.831 -8.936 -0.674
236 HD22 ASN 30 HD22 ASN 30 4.871 -9.906 0.383
237 H HIS 31 H HIS 31 5.311 -6.220 4.513
238 HA HIS 31 HA HIS 31 8.089 -6.203 5.437
239 HB2 HIS 31 HB2 HIS 31 7.254 -6.458 7.613
240 HB3 HIS 31 HB3 HIS 31 6.174 -5.336 6.800
241 HD1 HIS 31 HD1 HIS 31 6.269 -9.060 7.962
242 HD2 HIS 31 HD2 HIS 31 3.608 -6.026 6.686
243 HE1 HIS 31 HE1 HIS 31 3.935 -9.887 8.454
244 H ILE 32 H ILE 32 6.067 -8.653 4.074
245 HA ILE 32 HA ILE 32 7.060 -10.926 5.515
246 HB ILE 32 HB ILE 32 5.923 -10.653 2.718
247 HG12 ILE 32 HG12 ILE 32 4.691 -11.477 5.396
248 HG13 ILE 32 HG13 ILE 32 4.400 -9.961 4.560
249 HG21 ILE 32 HG21 ILE 32 7.204 -12.676 2.773
250 HG22 ILE 32 HG22 ILE 32 6.440 -13.189 4.302
251 HG23 ILE 32 HG23 ILE 32 5.517 -13.089 2.779
252 HD11 ILE 32 HD11 ILE 32 3.502 -12.710 3.613
253 HD12 ILE 32 HD12 ILE 32 2.500 -11.396 4.215
254 HD13 ILE 32 HD13 ILE 32 3.350 -11.211 2.664
255 H THR 33 H THR 33 8.244 -9.174 2.731
256 HA THR 33 HA THR 33 10.768 -10.775 2.784
257 HB THR 33 HB THR 33 9.655 -11.488 0.912
258 HG1 THR 33 HG1 THR 33 11.822 -10.470 0.475
259 HG21 THR 33 HG21 THR 33 8.732 -9.892 -0.856
260 HG22 THR 33 HG22 THR 33 8.730 -8.677 0.437
261 HG23 THR 33 HG23 THR 33 7.790 -10.179 0.603
262 H ASN 34 H ASN 34 9.525 -7.782 3.599
263 HA ASN 34 HA ASN 34 10.416 -5.776 3.991
264 HB2 ASN 34 HB2 ASN 34 12.192 -7.358 5.087
265 HB3 ASN 34 HB3 ASN 34 13.222 -6.925 3.728
266 HD21 ASN 34 HD21 ASN 34 11.856 -5.909 6.785
267 HD22 ASN 34 HD22 ASN 34 12.621 -4.346 6.870
268 H ALA 35 H ALA 35 9.460 -6.258 1.584
269 HA ALA 35 HA ALA 35 11.334 -5.165 -0.444
270 HB1 ALA 35 HB1 ALA 35 10.306 -7.521 -0.762
271 HB2 ALA 35 HB2 ALA 35 8.736 -6.700 -0.958
272 HB3 ALA 35 HB3 ALA 35 10.077 -6.367 -2.061
273 H SER 36 H SER 36 9.874 -3.938 -2.163
274 HA SER 36 HA SER 36 7.561 -2.582 -1.272
275 HB2 SER 36 HB2 SER 36 8.529 -0.413 -0.956
276 HB3 SER 36 HB3 SER 36 9.455 -1.586 -0.033
277 HG SER 36 HG SER 36 10.939 -0.324 -0.917
278 H GLN 37 H GLN 37 6.664 -1.267 -2.912
279 HA GLN 37 HA GLN 37 8.018 -0.798 -5.358
280 HB2 GLN 37 HB2 GLN 37 6.093 -3.160 -5.158
281 HB3 GLN 37 HB3 GLN 37 5.898 -2.120 -6.545
282 HG2 GLN 37 HG2 GLN 37 8.501 -2.455 -6.871
283 HG3 GLN 37 HG3 GLN 37 8.241 -3.869 -5.855
284 HE21 GLN 37 HE21 GLN 37 8.812 -5.314 -7.596
285 HE22 GLN 37 HE22 GLN 37 7.776 -5.533 -8.991
286 H TRP 38 H TRP 38 6.246 0.105 -6.978
287 HA TRP 38 HA TRP 38 4.414 1.842 -5.409
288 HB2 TRP 38 HB2 TRP 38 5.195 2.349 -8.263
289 HB3 TRP 38 HB3 TRP 38 4.561 3.463 -7.074
290 HD1 TRP 38 HD1 TRP 38 7.773 1.731 -8.154
291 HE1 TRP 38 HE1 TRP 38 9.799 2.661 -6.925
292 HE3 TRP 38 HE3 TRP 38 5.416 5.154 -5.190
293 HZ2 TRP 38 HZ2 TRP 38 10.337 4.517 -4.788
294 HZ3 TRP 38 HZ3 TRP 38 6.730 6.531 -3.594
295 HH2 TRP 38 HH2 TRP 38 9.175 6.163 -3.323
296 H GLU 39 H GLU 39 4.529 -0.662 -7.904
297 HA GLU 39 HA GLU 39 1.849 -0.298 -8.907
298 HB2 GLU 39 HB2 GLU 39 3.660 -2.759 -9.020
299 HB3 GLU 39 HB3 GLU 39 2.215 -2.462 -9.987
300 HG2 GLU 39 HG2 GLU 39 3.621 -0.167 -10.518
301 HG3 GLU 39 HG3 GLU 39 4.953 -1.300 -10.204
302 H ARG 40 H ARG 40 -0.012 -1.577 -8.445
303 HA ARG 40 HA ARG 40 -0.412 -2.199 -5.713
304 HB2 ARG 40 HB2 ARG 40 -2.004 -2.712 -8.198
305 HB3 ARG 40 HB3 ARG 40 -2.505 -3.452 -6.674
306 HG2 ARG 40 HG2 ARG 40 -2.807 -1.333 -5.591
307 HG3 ARG 40 HG3 ARG 40 -2.060 -0.480 -6.938
308 HD2 ARG 40 HD2 ARG 40 -3.965 -1.631 -8.393
309 HD3 ARG 40 HD3 ARG 40 -4.711 -1.997 -6.831
310 HE ARG 40 HE ARG 40 -4.078 0.815 -7.129
311 HH11 ARG 40 HH11 ARG 40 -6.591 -1.652 -7.902
312 HH12 ARG 40 HH12 ARG 40 -7.813 -0.437 -8.086
313 HH21 ARG 40 HH21 ARG 40 -5.676 2.290 -7.546
314 HH22 ARG 40 HH22 ARG 40 -7.359 1.770 -7.516
315 HA PRO 41 HA PRO 41 1.315 -6.401 -5.996
316 HB2 PRO 41 HB2 PRO 41 1.478 -6.930 -3.337
317 HB3 PRO 41 HB3 PRO 41 2.576 -5.782 -4.151
318 HG2 PRO 41 HG2 PRO 41 0.054 -5.179 -2.592
319 HG3 PRO 41 HG3 PRO 41 1.643 -4.379 -2.412
320 HD2 PRO 41 HD2 PRO 41 -0.340 -3.273 -3.950
321 HD3 PRO 41 HD3 PRO 41 1.394 -3.156 -4.351
322 H SER 42 H SER 42 0.612 -8.588 -4.941
323 HA SER 42 HA SER 42 -2.173 -8.678 -4.094
324 HB2 SER 42 HB2 SER 42 -2.136 -8.716 -6.637
325 HB3 SER 42 HB3 SER 42 -1.267 -10.258 -6.533
326 HG SER 42 HG SER 42 -3.879 -9.574 -5.675
327 H GLY 43 H GLY 43 -2.100 -9.882 -2.365
328 HA2 GLY 43 HA2 GLY 43 -0.041 -11.861 -1.725
329 HA3 GLY 43 HA3 GLY 43 -1.377 -11.332 -0.681
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -21.916 15.515 -4.005
2 HA2 GLY 1 HA2 GLY 1 -20.367 13.627 -4.426
3 HA3 GLY 1 HA3 GLY 1 -20.441 14.100 -2.714
4 H LEU 2 H LEU 2 -19.557 11.633 -2.941
5 HA LEU 2 HA LEU 2 -21.753 10.024 -1.913
6 HB2 LEU 2 HB2 LEU 2 -21.713 8.288 -3.451
7 HB3 LEU 2 HB3 LEU 2 -21.754 9.716 -4.458
8 HG LEU 2 HG LEU 2 -19.377 7.878 -3.917
9 HD11 LEU 2 HD11 LEU 2 -19.535 7.373 -6.244
10 HD12 LEU 2 HD12 LEU 2 -20.785 8.620 -6.508
11 HD13 LEU 2 HD13 LEU 2 -21.145 7.182 -5.544
12 HD21 LEU 2 HD21 LEU 2 -19.399 10.507 -5.455
13 HD22 LEU 2 HD22 LEU 2 -18.144 9.255 -5.639
14 HD23 LEU 2 HD23 LEU 2 -18.349 10.052 -4.095
15 H GLU 3 H GLU 3 -20.786 7.715 -1.360
16 HA GLU 3 HA GLU 3 -17.958 7.714 -0.707
17 HB2 GLU 3 HB2 GLU 3 -19.024 9.048 1.110
18 HB3 GLU 3 HB3 GLU 3 -20.146 7.716 1.434
19 HG2 GLU 3 HG2 GLU 3 -18.352 6.296 2.200
20 HG3 GLU 3 HG3 GLU 3 -17.126 7.401 1.566
21 H HIS 4 H HIS 4 -17.364 5.482 0.000
22 HA HIS 4 HA HIS 4 -19.346 3.392 -0.039
23 HB2 HIS 4 HB2 HIS 4 -18.920 3.900 -2.525
24 HB3 HIS 4 HB3 HIS 4 -17.254 3.405 -2.255
25 HD1 HIS 4 HD1 HIS 4 -20.726 1.848 -1.504
26 HD2 HIS 4 HD2 HIS 4 -16.873 0.907 -2.937
27 HE1 HIS 4 HE1 HIS 4 -20.747 -0.632 -2.013
28 H MET 5 H MET 5 -18.325 1.369 0.659
29 HA MET 5 HA MET 5 -16.000 1.849 2.369
30 HB2 MET 5 HB2 MET 5 -17.630 -0.636 1.686
31 HB3 MET 5 HB3 MET 5 -16.186 -0.697 2.706
32 HG2 MET 5 HG2 MET 5 -17.168 1.103 4.143
33 HG3 MET 5 HG3 MET 5 -18.675 0.971 3.239
34 HE1 MET 5 HE1 MET 5 -19.007 -2.219 2.850
35 HE2 MET 5 HE2 MET 5 -19.998 -2.558 4.282
36 HE3 MET 5 HE3 MET 5 -20.287 -1.088 3.328
37 H ALA 6 H ALA 6 -14.015 0.412 2.156
38 HA ALA 6 HA ALA 6 -13.337 -0.147 -0.707
39 HB1 ALA 6 HB1 ALA 6 -11.537 1.425 1.169
40 HB2 ALA 6 HB2 ALA 6 -11.294 1.043 -0.555
41 HB3 ALA 6 HB3 ALA 6 -12.582 2.140 -0.078
42 H ASP 7 H ASP 7 -13.702 -2.327 -0.175
43 HA ASP 7 HA ASP 7 -12.126 -3.621 1.947
44 HB2 ASP 7 HB2 ASP 7 -13.846 -4.687 -0.350
45 HB3 ASP 7 HB3 ASP 7 -12.980 -5.729 0.781
46 H GLU 8 H GLU 8 -12.005 -2.915 -1.441
47 HA GLU 8 HA GLU 8 -9.875 -4.596 -2.247
48 HB2 GLU 8 HB2 GLU 8 -10.062 -3.435 -4.244
49 HB3 GLU 8 HB3 GLU 8 -11.688 -3.497 -3.613
50 HG2 GLU 8 HG2 GLU 8 -11.454 -1.124 -2.846
51 HG3 GLU 8 HG3 GLU 8 -9.842 -1.072 -3.577
52 H GLU 9 H GLU 9 -9.886 -1.789 -0.250
53 HA GLU 9 HA GLU 9 -7.203 -0.933 -1.028
54 HB2 GLU 9 HB2 GLU 9 -9.224 0.537 -0.304
55 HB3 GLU 9 HB3 GLU 9 -8.714 0.172 1.352
56 HG2 GLU 9 HG2 GLU 9 -6.480 1.071 0.885
57 HG3 GLU 9 HG3 GLU 9 -6.847 1.168 -0.836
58 H LYS 10 H LYS 10 -8.444 -3.392 0.898
59 HA LYS 10 HA LYS 10 -6.454 -3.264 3.045
60 HB2 LYS 10 HB2 LYS 10 -8.213 -5.596 2.120
61 HB3 LYS 10 HB3 LYS 10 -7.315 -5.508 3.629
62 HG2 LYS 10 HG2 LYS 10 -9.592 -3.649 2.849
63 HG3 LYS 10 HG3 LYS 10 -9.762 -5.087 3.849
64 HD2 LYS 10 HD2 LYS 10 -8.674 -4.131 5.697
65 HD3 LYS 10 HD3 LYS 10 -7.802 -2.952 4.706
66 HE2 LYS 10 HE2 LYS 10 -9.544 -1.763 5.871
67 HE3 LYS 10 HE3 LYS 10 -9.884 -1.806 4.136
68 HZ1 LYS 10 HZ1 LYS 10 -11.363 -3.801 4.720
69 HZ2 LYS 10 HZ2 LYS 10 -11.906 -2.338 5.113
70 HZ3 LYS 10 HZ3 LYS 10 -11.256 -3.290 6.280
71 H LEU 11 H LEU 11 -4.366 -3.220 2.172
72 HA LEU 11 HA LEU 11 -3.536 -4.464 -0.137
73 HB2 LEU 11 HB2 LEU 11 -2.129 -3.600 2.405
74 HB3 LEU 11 HB3 LEU 11 -1.206 -4.533 1.257
75 HG LEU 11 HG LEU 11 -0.866 -2.131 0.965
76 HD11 LEU 11 HD11 LEU 11 -1.266 -1.993 -1.494
77 HD12 LEU 11 HD12 LEU 11 -2.262 -3.418 -1.428
78 HD13 LEU 11 HD13 LEU 11 -0.531 -3.511 -0.987
79 HD21 LEU 11 HD21 LEU 11 -2.688 -0.676 0.108
80 HD22 LEU 11 HD22 LEU 11 -3.139 -1.373 1.664
81 HD23 LEU 11 HD23 LEU 11 -3.803 -2.003 0.130
82 HA PRO 12 HA PRO 12 -3.413 -8.731 0.534
83 HB2 PRO 12 HB2 PRO 12 -1.182 -9.555 -0.921
84 HB3 PRO 12 HB3 PRO 12 -2.790 -9.132 -1.591
85 HG2 PRO 12 HG2 PRO 12 -0.297 -7.466 -1.427
86 HG3 PRO 12 HG3 PRO 12 -1.498 -7.559 -2.747
87 HD2 PRO 12 HD2 PRO 12 -1.402 -5.557 -0.869
88 HD3 PRO 12 HD3 PRO 12 -2.915 -6.050 -1.679
89 HA PRO 13 HA PRO 13 -0.986 -9.988 3.872
90 HB2 PRO 13 HB2 PRO 13 -0.384 -12.663 3.357
91 HB3 PRO 13 HB3 PRO 13 -1.980 -12.035 3.877
92 HG2 PRO 13 HG2 PRO 13 -1.010 -12.583 1.060
93 HG3 PRO 13 HG3 PRO 13 -2.548 -13.128 1.818
94 HD2 PRO 13 HD2 PRO 13 -2.492 -10.979 0.261
95 HD3 PRO 13 HD3 PRO 13 -3.432 -10.898 1.771
96 H GLY 14 H GLY 14 0.884 -8.962 4.105
97 HA2 GLY 14 HA2 GLY 14 3.312 -9.398 4.309
98 HA3 GLY 14 HA3 GLY 14 3.297 -9.893 2.609
99 H TRP 15 H TRP 15 1.346 -7.626 1.908
100 HA TRP 15 HA TRP 15 3.450 -5.568 1.629
101 HB2 TRP 15 HB2 TRP 15 0.714 -5.929 0.384
102 HB3 TRP 15 HB3 TRP 15 1.722 -4.511 0.153
103 HD1 TRP 15 HD1 TRP 15 1.660 -8.243 -0.754
104 HE1 TRP 15 HE1 TRP 15 3.298 -8.654 -2.663
105 HE3 TRP 15 HE3 TRP 15 3.882 -3.681 -0.813
106 HZ2 TRP 15 HZ2 TRP 15 5.145 -7.056 -4.237
107 HZ3 TRP 15 HZ3 TRP 15 5.505 -3.087 -2.596
108 HH2 TRP 15 HH2 TRP 15 6.162 -4.780 -4.316
109 H GLU 16 H GLU 16 3.197 -3.514 2.392
110 HA GLU 16 HA GLU 16 0.995 -2.821 4.231
111 HB2 GLU 16 HB2 GLU 16 3.981 -2.985 4.641
112 HB3 GLU 16 HB3 GLU 16 3.127 -1.639 5.377
113 HG2 GLU 16 HG2 GLU 16 2.059 -4.450 5.735
114 HG3 GLU 16 HG3 GLU 16 3.445 -3.896 6.692
115 H LYS 17 H LYS 17 0.170 -0.887 3.726
116 HA LYS 17 HA LYS 17 1.434 0.803 1.666
117 HB2 LYS 17 HB2 LYS 17 -0.993 0.374 1.714
118 HB3 LYS 17 HB3 LYS 17 -1.104 1.085 3.334
119 HG2 LYS 17 HG2 LYS 17 -0.330 3.276 2.434
120 HG3 LYS 17 HG3 LYS 17 -0.190 2.578 0.812
121 HD2 LYS 17 HD2 LYS 17 -2.635 2.109 0.806
122 HD3 LYS 17 HD3 LYS 17 -2.746 2.703 2.470
123 HE2 LYS 17 HE2 LYS 17 -1.879 4.917 1.709
124 HE3 LYS 17 HE3 LYS 17 -1.903 4.305 0.037
125 HZ1 LYS 17 HZ1 LYS 17 -4.218 4.735 1.815
126 HZ2 LYS 17 HZ2 LYS 17 -4.311 3.868 0.415
127 HZ3 LYS 17 HZ3 LYS 17 -3.931 5.457 0.360
128 H ARG 18 H ARG 18 2.951 2.279 2.205
129 HA ARG 18 HA ARG 18 2.822 3.599 4.881
130 HB2 ARG 18 HB2 ARG 18 5.183 2.561 3.254
131 HB3 ARG 18 HB3 ARG 18 5.399 3.560 4.679
132 HG2 ARG 18 HG2 ARG 18 3.897 0.937 4.911
133 HG3 ARG 18 HG3 ARG 18 5.645 0.983 4.853
134 HD2 ARG 18 HD2 ARG 18 5.737 2.487 6.809
135 HD3 ARG 18 HD3 ARG 18 3.986 2.606 6.849
136 HE ARG 18 HE ARG 18 5.626 0.554 7.984
137 HH11 ARG 18 HH11 ARG 18 2.334 1.236 6.848
138 HH12 ARG 18 HH12 ARG 18 1.725 -0.365 7.183
139 HH21 ARG 18 HH21 ARG 18 4.702 -1.418 8.865
140 HH22 ARG 18 HH22 ARG 18 3.068 -1.806 8.488
141 H MET 19 H MET 19 4.594 5.494 4.681
142 HA MET 19 HA MET 19 4.299 6.923 2.139
143 HB2 MET 19 HB2 MET 19 2.420 7.682 3.534
144 HB3 MET 19 HB3 MET 19 3.529 8.041 4.873
145 HG2 MET 19 HG2 MET 19 4.632 9.759 3.579
146 HG3 MET 19 HG3 MET 19 3.765 9.285 2.113
147 HE1 MET 19 HE1 MET 19 3.595 11.159 5.532
148 HE2 MET 19 HE2 MET 19 1.875 11.595 5.648
149 HE3 MET 19 HE3 MET 19 2.370 9.898 5.828
150 H GLU 20 H GLU 20 6.097 8.106 1.661
151 HA GLU 20 HA GLU 20 8.555 7.522 3.086
152 HB2 GLU 20 HB2 GLU 20 7.900 9.481 0.805
153 HB3 GLU 20 HB3 GLU 20 9.516 9.098 1.434
154 HG2 GLU 20 HG2 GLU 20 8.910 6.657 0.932
155 HG3 GLU 20 HG3 GLU 20 7.575 7.261 -0.026
156 H ARG 21 H ARG 21 9.159 8.694 4.988
157 HA ARG 21 HA ARG 21 7.701 11.146 5.624
158 HB2 ARG 21 HB2 ARG 21 10.138 9.857 6.936
159 HB3 ARG 21 HB3 ARG 21 9.256 11.261 7.557
160 HG2 ARG 21 HG2 ARG 21 7.181 9.954 7.693
161 HG3 ARG 21 HG3 ARG 21 8.005 8.517 7.083
162 HD2 ARG 21 HD2 ARG 21 8.863 9.981 9.592
163 HD3 ARG 21 HD3 ARG 21 7.689 8.649 9.603
164 HE ARG 21 HE ARG 21 9.890 7.660 8.230
165 HH11 ARG 21 HH11 ARG 21 9.303 8.935 11.529
166 HH12 ARG 21 HH12 ARG 21 10.473 7.854 12.232
167 HH21 ARG 21 HH21 ARG 21 11.445 6.249 9.288
168 HH22 ARG 21 HH22 ARG 21 11.614 6.387 11.012
169 H SER 22 H SER 22 10.669 10.341 4.023
170 HA SER 22 HA SER 22 12.129 12.696 4.193
171 HB2 SER 22 HB2 SER 22 12.902 10.559 3.194
172 HB3 SER 22 HB3 SER 22 11.840 10.823 1.797
173 HG SER 22 HG SER 22 13.949 11.442 1.369
174 H SER 23 H SER 23 9.804 11.881 1.516
175 HA SER 23 HA SER 23 9.502 14.803 0.985
176 HB2 SER 23 HB2 SER 23 9.166 12.402 -0.839
177 HB3 SER 23 HB3 SER 23 9.078 14.100 -1.313
178 HG SER 23 HG SER 23 11.272 14.297 -0.516
179 H GLY 24 H GLY 24 7.635 11.966 1.974
180 HA2 GLY 24 HA2 GLY 24 5.448 11.940 2.626
181 HA3 GLY 24 HA3 GLY 24 5.220 13.574 2.020
182 H ARG 25 H ARG 25 6.056 10.263 0.685
183 HA ARG 25 HA ARG 25 3.867 10.693 -1.280
184 HB2 ARG 25 HB2 ARG 25 6.470 11.011 -1.975
185 HB3 ARG 25 HB3 ARG 25 6.365 9.273 -2.106
186 HG2 ARG 25 HG2 ARG 25 5.777 10.047 -4.278
187 HG3 ARG 25 HG3 ARG 25 4.207 9.739 -3.525
188 HD2 ARG 25 HD2 ARG 25 4.146 11.824 -4.773
189 HD3 ARG 25 HD3 ARG 25 3.958 12.165 -3.053
190 HE ARG 25 HE ARG 25 6.671 12.448 -3.497
191 HH11 ARG 25 HH11 ARG 25 3.853 13.962 -5.146
192 HH12 ARG 25 HH12 ARG 25 4.663 15.453 -5.354
193 HH21 ARG 25 HH21 ARG 25 7.713 14.456 -3.852
194 HH22 ARG 25 HH22 ARG 25 6.867 15.787 -4.510
195 H VAL 26 H VAL 26 2.520 8.970 -1.359
196 HA VAL 26 HA VAL 26 2.879 6.843 0.593
197 HB VAL 26 HB VAL 26 0.624 7.378 -1.371
198 HG11 VAL 26 HG11 VAL 26 0.704 5.747 1.214
199 HG12 VAL 26 HG12 VAL 26 -0.740 6.123 0.236
200 HG13 VAL 26 HG13 VAL 26 0.535 5.091 -0.428
201 HG21 VAL 26 HG21 VAL 26 0.965 8.263 1.540
202 HG22 VAL 26 HG22 VAL 26 0.948 9.337 0.131
203 HG23 VAL 26 HG23 VAL 26 -0.512 8.465 0.570
204 H TYR 27 H TYR 27 3.025 4.574 0.136
205 HA TYR 27 HA TYR 27 3.181 3.591 -2.566
206 HB2 TYR 27 HB2 TYR 27 5.504 3.020 -2.575
207 HB3 TYR 27 HB3 TYR 27 5.425 4.736 -2.262
208 HD1 TYR 27 HD2 TYR 27 5.622 5.516 0.248
209 HD2 TYR 27 HD1 TYR 27 6.778 1.619 -1.166
210 HE1 TYR 27 HE2 TYR 27 6.958 5.164 2.303
211 HE2 TYR 27 HE1 TYR 27 8.084 1.247 0.881
212 HH TYR 27 HH TYR 27 8.107 3.646 3.575
213 H TYR 28 H TYR 28 4.206 1.131 -2.309
214 HA TYR 28 HA TYR 28 3.022 -0.023 0.160
215 HB2 TYR 28 HB2 TYR 28 3.268 -1.238 -2.617
216 HB3 TYR 28 HB3 TYR 28 2.545 -1.970 -1.183
217 HD1 TYR 28 HD1 TYR 28 0.733 -0.356 0.025
218 HD2 TYR 28 HD2 TYR 28 1.721 -0.313 -4.159
219 HE1 TYR 28 HE1 TYR 28 -1.391 0.795 -0.456
220 HE2 TYR 28 HE2 TYR 28 -0.453 0.765 -4.664
221 HH TYR 28 HH TYR 28 -2.147 2.422 -2.637
222 H PHE 29 H PHE 29 4.161 -1.648 1.215
223 HA PHE 29 HA PHE 29 6.962 -2.178 0.315
224 HB2 PHE 29 HB2 PHE 29 6.810 -0.333 2.017
225 HB3 PHE 29 HB3 PHE 29 6.023 -1.452 3.121
226 HD1 PHE 29 HD2 PHE 29 7.282 -3.489 3.965
227 HD2 PHE 29 HD1 PHE 29 9.205 -0.435 1.578
228 HE1 PHE 29 HE2 PHE 29 9.531 -4.387 4.568
229 HE2 PHE 29 HE1 PHE 29 11.413 -1.269 2.278
230 HZ PHE 29 HZ PHE 29 11.568 -3.198 3.790
231 H ASN 30 H ASN 30 7.362 -4.269 0.326
232 HA ASN 30 HA ASN 30 5.446 -6.203 1.521
233 HB2 ASN 30 HB2 ASN 30 6.091 -6.472 -0.765
234 HB3 ASN 30 HB3 ASN 30 7.805 -6.582 -0.322
235 HD21 ASN 30 HD21 ASN 30 7.179 -8.708 -1.781
236 HD22 ASN 30 HD22 ASN 30 6.834 -10.081 -0.797
237 H HIS 31 H HIS 31 5.905 -6.388 3.756
238 HA HIS 31 HA HIS 31 8.625 -6.332 4.724
239 HB2 HIS 31 HB2 HIS 31 7.726 -6.753 6.892
240 HB3 HIS 31 HB3 HIS 31 6.767 -5.534 6.053
241 HD1 HIS 31 HD1 HIS 31 6.443 -8.968 7.674
242 HD2 HIS 31 HD2 HIS 31 4.203 -6.164 5.453
243 HE1 HIS 31 HE1 HIS 31 4.014 -9.711 7.780
244 H ILE 32 H ILE 32 6.910 -8.839 3.202
245 HA ILE 32 HA ILE 32 8.101 -11.063 4.657
246 HB ILE 32 HB ILE 32 6.742 -10.808 1.970
247 HG12 ILE 32 HG12 ILE 32 5.945 -12.094 4.627
248 HG13 ILE 32 HG13 ILE 32 5.354 -10.554 4.013
249 HG21 ILE 32 HG21 ILE 32 6.695 -13.207 1.718
250 HG22 ILE 32 HG22 ILE 32 8.290 -12.550 1.577
251 HG23 ILE 32 HG23 ILE 32 7.793 -13.387 3.098
252 HD11 ILE 32 HD11 ILE 32 3.637 -12.155 3.638
253 HD12 ILE 32 HD12 ILE 32 4.352 -11.807 2.044
254 HD13 ILE 32 HD13 ILE 32 4.754 -13.314 2.904
255 H THR 33 H THR 33 8.967 -9.204 1.651
256 HA THR 33 HA THR 33 11.602 -10.669 1.802
257 HB THR 33 HB THR 33 9.899 -11.389 0.034
258 HG1 THR 33 HG1 THR 33 12.545 -10.659 -0.614
259 HG21 THR 33 HG21 THR 33 10.939 -9.009 -1.519
260 HG22 THR 33 HG22 THR 33 9.405 -8.962 -0.627
261 HG23 THR 33 HG23 THR 33 9.627 -10.137 -1.919
262 H ASN 34 H ASN 34 10.291 -7.806 2.463
263 HA ASN 34 HA ASN 34 11.042 -5.756 2.753
264 HB2 ASN 34 HB2 ASN 34 13.188 -7.182 3.350
265 HB3 ASN 34 HB3 ASN 34 13.808 -6.463 1.879
266 HD21 ASN 34 HD21 ASN 34 12.461 -5.869 5.095
267 HD22 ASN 34 HD22 ASN 34 13.038 -4.245 5.345
268 H ALA 35 H ALA 35 9.970 -6.616 0.198
269 HA ALA 35 HA ALA 35 11.349 -4.949 -1.839
270 HB1 ALA 35 HB1 ALA 35 10.557 -7.120 -2.644
271 HB2 ALA 35 HB2 ALA 35 8.899 -6.771 -2.117
272 HB3 ALA 35 HB3 ALA 35 9.648 -5.829 -3.412
273 H SER 36 H SER 36 9.561 -3.622 -3.191
274 HA SER 36 HA SER 36 7.394 -2.457 -1.746
275 HB2 SER 36 HB2 SER 36 8.414 -0.272 -1.536
276 HB3 SER 36 HB3 SER 36 9.463 -1.490 -0.803
277 HG SER 36 HG SER 36 10.738 -0.119 -2.012
278 H GLN 37 H GLN 37 6.232 -0.944 -3.172
279 HA GLN 37 HA GLN 37 7.164 -0.344 -5.743
280 HB2 GLN 37 HB2 GLN 37 5.230 -2.700 -5.529
281 HB3 GLN 37 HB3 GLN 37 5.015 -1.557 -6.836
282 HG2 GLN 37 HG2 GLN 37 7.685 -2.009 -7.122
283 HG3 GLN 37 HG3 GLN 37 7.151 -3.575 -6.496
284 HE21 GLN 37 HE21 GLN 37 8.028 -2.365 -9.330
285 HE22 GLN 37 HE22 GLN 37 6.773 -3.027 -10.362
286 H TRP 38 H TRP 38 5.099 0.596 -7.017
287 HA TRP 38 HA TRP 38 3.587 2.244 -5.038
288 HB2 TRP 38 HB2 TRP 38 4.101 2.834 -7.963
289 HB3 TRP 38 HB3 TRP 38 3.407 3.903 -6.748
290 HD1 TRP 38 HD1 TRP 38 6.700 2.266 -7.750
291 HE1 TRP 38 HE1 TRP 38 8.689 3.680 -6.923
292 HE3 TRP 38 HE3 TRP 38 4.141 5.575 -4.835
293 HZ2 TRP 38 HZ2 TRP 38 9.055 6.130 -5.393
294 HZ3 TRP 38 HZ3 TRP 38 5.332 7.411 -3.656
295 HH2 TRP 38 HH2 TRP 38 7.758 7.733 -3.963
296 H GLU 39 H GLU 39 3.320 0.011 -7.777
297 HA GLU 39 HA GLU 39 0.463 0.538 -8.196
298 HB2 GLU 39 HB2 GLU 39 2.292 -1.736 -9.110
299 HB3 GLU 39 HB3 GLU 39 0.571 -1.604 -9.514
300 HG2 GLU 39 HG2 GLU 39 1.087 0.713 -10.467
301 HG3 GLU 39 HG3 GLU 39 2.795 0.291 -10.323
302 H ARG 40 H ARG 40 -1.251 -0.933 -7.662
303 HA ARG 40 HA ARG 40 -1.098 -1.965 -5.025
304 HB2 ARG 40 HB2 ARG 40 -3.149 -2.182 -7.212
305 HB3 ARG 40 HB3 ARG 40 -3.319 -3.143 -5.738
306 HG2 ARG 40 HG2 ARG 40 -3.423 -1.205 -4.333
307 HG3 ARG 40 HG3 ARG 40 -2.915 -0.152 -5.650
308 HD2 ARG 40 HD2 ARG 40 -5.255 0.195 -5.450
309 HD3 ARG 40 HD3 ARG 40 -5.080 -0.811 -6.881
310 HE ARG 40 HE ARG 40 -6.321 -1.438 -4.318
311 HH11 ARG 40 HH11 ARG 40 -5.343 -2.801 -7.476
312 HH12 ARG 40 HH12 ARG 40 -6.010 -4.348 -7.165
313 HH21 ARG 40 HH21 ARG 40 -7.296 -3.477 -3.953
314 HH22 ARG 40 HH22 ARG 40 -7.239 -4.720 -5.154
315 HA PRO 41 HA PRO 41 0.760 -5.909 -6.322
316 HB2 PRO 41 HB2 PRO 41 1.276 -6.905 -3.831
317 HB3 PRO 41 HB3 PRO 41 2.218 -5.603 -4.583
318 HG2 PRO 41 HG2 PRO 41 -0.026 -5.371 -2.567
319 HG3 PRO 41 HG3 PRO 41 1.529 -4.495 -2.575
320 HD2 PRO 41 HD2 PRO 41 -0.804 -3.408 -3.515
321 HD3 PRO 41 HD3 PRO 41 0.818 -2.993 -4.134
322 H SER 42 H SER 42 0.402 -8.306 -5.472
323 HA SER 42 HA SER 42 -2.311 -8.835 -4.540
324 HB2 SER 42 HB2 SER 42 -2.860 -8.672 -6.841
325 HB3 SER 42 HB3 SER 42 -1.322 -9.376 -7.339
326 HG SER 42 HG SER 42 -1.987 -11.365 -6.564
327 H GLY 43 H GLY 43 -1.930 -10.290 -2.967
328 HA2 GLY 43 HA2 GLY 43 0.339 -12.204 -3.147
329 HA3 GLY 43 HA3 GLY 43 -0.582 -11.771 -1.687
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -19.423 -0.603 -3.051
2 HA2 GLY 1 HA2 GLY 1 -18.569 -1.511 -0.940
3 HA3 GLY 1 HA3 GLY 1 -17.831 0.076 -0.635
4 H LEU 2 H LEU 2 -19.575 -0.928 1.295
5 HA LEU 2 HA LEU 2 -22.279 -0.414 0.991
6 HB2 LEU 2 HB2 LEU 2 -20.857 -1.445 2.922
7 HB3 LEU 2 HB3 LEU 2 -20.856 0.177 3.609
8 HG LEU 2 HG LEU 2 -23.383 -1.378 2.839
9 HD11 LEU 2 HD11 LEU 2 -21.856 -1.234 5.463
10 HD12 LEU 2 HD12 LEU 2 -22.193 -2.661 4.491
11 HD13 LEU 2 HD13 LEU 2 -23.520 -1.826 5.343
12 HD21 LEU 2 HD21 LEU 2 -23.785 1.081 3.181
13 HD22 LEU 2 HD22 LEU 2 -23.101 0.926 4.816
14 HD23 LEU 2 HD23 LEU 2 -24.587 0.079 4.379
15 H GLU 3 H GLU 3 -19.789 1.919 2.145
16 HA GLU 3 HA GLU 3 -21.551 4.166 1.268
17 HB2 GLU 3 HB2 GLU 3 -19.992 4.021 3.885
18 HB3 GLU 3 HB3 GLU 3 -20.914 5.399 3.271
19 HG2 GLU 3 HG2 GLU 3 -22.976 3.917 3.341
20 HG3 GLU 3 HG3 GLU 3 -21.987 2.710 4.160
21 H HIS 4 H HIS 4 -20.112 3.895 -0.633
22 HA HIS 4 HA HIS 4 -18.431 4.418 -1.956
23 HB2 HIS 4 HB2 HIS 4 -17.741 6.584 0.015
24 HB3 HIS 4 HB3 HIS 4 -17.358 6.552 -1.697
25 HD1 HIS 4 HD1 HIS 4 -19.948 6.327 -3.263
26 HD2 HIS 4 HD2 HIS 4 -19.655 8.177 0.523
27 HE1 HIS 4 HE1 HIS 4 -21.852 7.965 -3.113
28 H MET 5 H MET 5 -17.640 3.033 0.867
29 HA MET 5 HA MET 5 -14.858 3.219 1.184
30 HB2 MET 5 HB2 MET 5 -16.636 0.777 1.578
31 HB3 MET 5 HB3 MET 5 -15.036 1.050 2.272
32 HG2 MET 5 HG2 MET 5 -15.880 2.748 3.738
33 HG3 MET 5 HG3 MET 5 -17.448 2.760 2.919
34 HE1 MET 5 HE1 MET 5 -15.017 0.687 5.247
35 HE2 MET 5 HE2 MET 5 -15.893 -0.847 5.418
36 HE3 MET 5 HE3 MET 5 -15.224 -0.412 3.862
37 H ALA 6 H ALA 6 -13.231 2.613 -0.220
38 HA ALA 6 HA ALA 6 -13.845 0.702 -2.417
39 HB1 ALA 6 HB1 ALA 6 -11.549 2.631 -1.921
40 HB2 ALA 6 HB2 ALA 6 -11.654 1.496 -3.282
41 HB3 ALA 6 HB3 ALA 6 -12.853 2.796 -3.125
42 H ASP 7 H ASP 7 -13.548 -1.375 -1.731
43 HA ASP 7 HA ASP 7 -11.755 -2.147 0.430
44 HB2 ASP 7 HB2 ASP 7 -13.812 -3.384 -0.165
45 HB3 ASP 7 HB3 ASP 7 -13.108 -3.811 -1.723
46 H GLU 8 H GLU 8 -11.569 -1.735 -3.030
47 HA GLU 8 HA GLU 8 -9.216 -3.158 -3.687
48 HB2 GLU 8 HB2 GLU 8 -10.836 -2.100 -5.291
49 HB3 GLU 8 HB3 GLU 8 -10.357 -0.512 -4.713
50 HG2 GLU 8 HG2 GLU 8 -9.287 -0.843 -6.798
51 HG3 GLU 8 HG3 GLU 8 -8.039 -0.900 -5.567
52 H GLU 9 H GLU 9 -9.725 -0.126 -1.970
53 HA GLU 9 HA GLU 9 -7.014 0.880 -2.226
54 HB2 GLU 9 HB2 GLU 9 -9.278 2.130 -1.758
55 HB3 GLU 9 HB3 GLU 9 -8.985 1.672 -0.073
56 HG2 GLU 9 HG2 GLU 9 -6.704 2.797 -0.270
57 HG3 GLU 9 HG3 GLU 9 -7.178 3.328 -1.894
58 H LYS 10 H LYS 10 -8.496 -1.577 -0.309
59 HA LYS 10 HA LYS 10 -6.616 -1.320 1.974
60 HB2 LYS 10 HB2 LYS 10 -8.811 -3.359 1.404
61 HB3 LYS 10 HB3 LYS 10 -7.819 -3.293 2.847
62 HG2 LYS 10 HG2 LYS 10 -9.716 -1.054 1.942
63 HG3 LYS 10 HG3 LYS 10 -10.074 -2.295 3.120
64 HD2 LYS 10 HD2 LYS 10 -9.422 -0.743 4.619
65 HD3 LYS 10 HD3 LYS 10 -7.820 -1.394 4.278
66 HE2 LYS 10 HE2 LYS 10 -7.656 0.443 2.462
67 HE3 LYS 10 HE3 LYS 10 -9.143 1.116 3.148
68 HZ1 LYS 10 HZ1 LYS 10 -7.877 1.154 5.309
69 HZ2 LYS 10 HZ2 LYS 10 -7.294 2.186 4.140
70 HZ3 LYS 10 HZ3 LYS 10 -6.531 0.766 4.491
71 H LEU 11 H LEU 11 -4.616 -1.843 1.397
72 HA LEU 11 HA LEU 11 -3.899 -3.441 -0.747
73 HB2 LEU 11 HB2 LEU 11 -2.545 -2.483 1.791
74 HB3 LEU 11 HB3 LEU 11 -1.679 -3.600 0.781
75 HG LEU 11 HG LEU 11 -1.096 -1.253 0.345
76 HD11 LEU 11 HD11 LEU 11 -0.729 -2.815 -1.436
77 HD12 LEU 11 HD12 LEU 11 -1.304 -1.313 -2.161
78 HD13 LEU 11 HD13 LEU 11 -2.403 -2.665 -2.030
79 HD21 LEU 11 HD21 LEU 11 -3.908 -0.904 -0.797
80 HD22 LEU 11 HD22 LEU 11 -2.637 0.284 -0.796
81 HD23 LEU 11 HD23 LEU 11 -3.326 -0.219 0.747
82 HA PRO 12 HA PRO 12 -4.414 -7.607 0.378
83 HB2 PRO 12 HB2 PRO 12 -2.104 -8.806 -0.624
84 HB3 PRO 12 HB3 PRO 12 -3.523 -8.316 -1.593
85 HG2 PRO 12 HG2 PRO 12 -0.908 -6.897 -1.149
86 HG3 PRO 12 HG3 PRO 12 -1.855 -7.032 -2.642
87 HD2 PRO 12 HD2 PRO 12 -1.847 -4.829 -1.053
88 HD3 PRO 12 HD3 PRO 12 -3.279 -5.289 -2.005
89 HA PRO 13 HA PRO 13 -2.467 -8.756 4.094
90 HB2 PRO 13 HB2 PRO 13 -1.994 -11.472 3.954
91 HB3 PRO 13 HB3 PRO 13 -3.590 -10.725 4.093
92 HG2 PRO 13 HG2 PRO 13 -2.262 -11.605 1.537
93 HG3 PRO 13 HG3 PRO 13 -3.904 -12.017 2.125
94 HD2 PRO 13 HD2 PRO 13 -3.582 -10.015 0.410
95 HD3 PRO 13 HD3 PRO 13 -4.678 -9.773 1.781
96 H GLY 14 H GLY 14 -0.546 -7.898 4.539
97 HA2 GLY 14 HA2 GLY 14 1.814 -8.491 5.011
98 HA3 GLY 14 HA3 GLY 14 1.937 -9.101 3.357
99 H TRP 15 H TRP 15 0.358 -6.815 2.217
100 HA TRP 15 HA TRP 15 2.698 -5.025 2.005
101 HB2 TRP 15 HB2 TRP 15 0.091 -5.305 0.468
102 HB3 TRP 15 HB3 TRP 15 1.252 -4.020 0.182
103 HD1 TRP 15 HD1 TRP 15 0.912 -7.833 -0.301
104 HE1 TRP 15 HE1 TRP 15 2.690 -8.587 -1.982
105 HE3 TRP 15 HE3 TRP 15 3.599 -3.522 -0.560
106 HZ2 TRP 15 HZ2 TRP 15 4.982 -7.408 -3.346
107 HZ3 TRP 15 HZ3 TRP 15 5.557 -3.331 -2.093
108 HH2 TRP 15 HH2 TRP 15 6.255 -5.276 -3.483
109 H GLU 16 H GLU 16 2.570 -2.849 2.489
110 HA GLU 16 HA GLU 16 0.199 -1.715 3.871
111 HB2 GLU 16 HB2 GLU 16 3.055 -2.116 4.781
112 HB3 GLU 16 HB3 GLU 16 2.274 -0.593 5.201
113 HG2 GLU 16 HG2 GLU 16 0.844 -3.212 5.707
114 HG3 GLU 16 HG3 GLU 16 2.074 -2.624 6.838
115 H LYS 17 H LYS 17 -0.328 0.232 3.081
116 HA LYS 17 HA LYS 17 1.396 1.506 1.073
117 HB2 LYS 17 HB2 LYS 17 -1.055 1.387 0.864
118 HB3 LYS 17 HB3 LYS 17 -1.234 2.388 2.325
119 HG2 LYS 17 HG2 LYS 17 0.105 4.217 1.152
120 HG3 LYS 17 HG3 LYS 17 0.181 3.187 -0.274
121 HD2 LYS 17 HD2 LYS 17 -1.586 4.562 -0.807
122 HD3 LYS 17 HD3 LYS 17 -2.453 3.181 -0.112
123 HE2 LYS 17 HE2 LYS 17 -2.400 4.403 2.124
124 HE3 LYS 17 HE3 LYS 17 -1.723 5.802 1.283
125 HZ1 LYS 17 HZ1 LYS 17 -4.139 5.934 1.542
126 HZ2 LYS 17 HZ2 LYS 17 -4.338 4.563 0.715
127 HZ3 LYS 17 HZ3 LYS 17 -3.724 5.893 -0.061
128 H ARG 18 H ARG 18 2.994 2.861 1.612
129 HA ARG 18 HA ARG 18 2.787 4.431 4.132
130 HB2 ARG 18 HB2 ARG 18 5.183 3.017 2.898
131 HB3 ARG 18 HB3 ARG 18 5.276 4.035 4.332
132 HG2 ARG 18 HG2 ARG 18 3.481 1.545 4.256
133 HG3 ARG 18 HG3 ARG 18 5.192 1.480 4.646
134 HD2 ARG 18 HD2 ARG 18 4.915 2.844 6.604
135 HD3 ARG 18 HD3 ARG 18 3.394 3.503 6.018
136 HE ARG 18 HE ARG 18 2.239 1.893 6.966
137 HH11 ARG 18 HH11 ARG 18 5.581 0.649 6.704
138 HH12 ARG 18 HH12 ARG 18 5.281 -0.683 7.761
139 HH21 ARG 18 HH21 ARG 18 1.893 0.078 8.397
140 HH22 ARG 18 HH22 ARG 18 3.224 -0.969 8.774
141 H MET 19 H MET 19 4.698 6.123 3.978
142 HA MET 19 HA MET 19 4.785 7.312 1.306
143 HB2 MET 19 HB2 MET 19 2.965 8.365 2.629
144 HB3 MET 19 HB3 MET 19 4.148 8.796 3.897
145 HG2 MET 19 HG2 MET 19 5.382 10.131 2.269
146 HG3 MET 19 HG3 MET 19 4.265 9.646 0.975
147 HE1 MET 19 HE1 MET 19 2.630 13.026 0.921
148 HE2 MET 19 HE2 MET 19 4.313 12.539 0.671
149 HE3 MET 19 HE3 MET 19 2.994 11.524 0.042
150 H GLU 20 H GLU 20 6.770 8.048 0.841
151 HA GLU 20 HA GLU 20 9.029 7.202 2.411
152 HB2 GLU 20 HB2 GLU 20 8.840 8.951 -0.105
153 HB3 GLU 20 HB3 GLU 20 10.316 8.245 0.585
154 HG2 GLU 20 HG2 GLU 20 9.085 6.012 0.404
155 HG3 GLU 20 HG3 GLU 20 7.950 6.807 -0.679
156 H ARG 21 H ARG 21 9.564 8.392 4.320
157 HA ARG 21 HA ARG 21 8.841 11.195 4.495
158 HB2 ARG 21 HB2 ARG 21 9.155 9.337 6.338
159 HB3 ARG 21 HB3 ARG 21 10.862 9.821 6.290
160 HG2 ARG 21 HG2 ARG 21 10.260 12.101 6.910
161 HG3 ARG 21 HG3 ARG 21 8.533 11.738 6.771
162 HD2 ARG 21 HD2 ARG 21 10.331 10.239 8.708
163 HD3 ARG 21 HD3 ARG 21 9.543 11.760 9.135
164 HE ARG 21 HE ARG 21 7.473 10.241 8.153
165 HH11 ARG 21 HH11 ARG 21 9.769 9.906 10.825
166 HH12 ARG 21 HH12 ARG 21 8.641 9.136 11.889
167 HH21 ARG 21 HH21 ARG 21 5.980 9.102 9.527
168 HH22 ARG 21 HH22 ARG 21 6.465 8.628 11.101
169 H SER 22 H SER 22 11.241 9.599 2.839
170 HA SER 22 HA SER 22 13.551 11.237 3.019
171 HB2 SER 22 HB2 SER 22 13.343 8.866 2.200
172 HB3 SER 22 HB3 SER 22 12.474 9.447 0.786
173 HG SER 22 HG SER 22 15.165 9.897 1.534
174 H SER 23 H SER 23 10.803 11.165 0.688
175 HA SER 23 HA SER 23 11.404 13.985 -0.090
176 HB2 SER 23 HB2 SER 23 10.962 11.562 -1.859
177 HB3 SER 23 HB3 SER 23 10.768 13.210 -2.448
178 HG SER 23 HG SER 23 12.902 12.217 -2.688
179 H GLY 24 H GLY 24 8.959 11.568 0.699
180 HA2 GLY 24 HA2 GLY 24 6.803 12.030 1.284
181 HA3 GLY 24 HA3 GLY 24 6.865 13.599 0.495
182 H ARG 25 H ARG 25 7.055 10.071 -0.318
183 HA ARG 25 HA ARG 25 5.194 10.610 -2.562
184 HB2 ARG 25 HB2 ARG 25 7.844 10.339 -3.104
185 HB3 ARG 25 HB3 ARG 25 7.439 8.632 -2.955
186 HG2 ARG 25 HG2 ARG 25 7.221 9.245 -5.256
187 HG3 ARG 25 HG3 ARG 25 5.582 9.028 -4.643
188 HD2 ARG 25 HD2 ARG 25 5.013 11.191 -5.075
189 HD3 ARG 25 HD3 ARG 25 6.475 11.814 -4.320
190 HE ARG 25 HE ARG 25 7.608 11.816 -6.300
191 HH11 ARG 25 HH11 ARG 25 4.252 10.648 -6.957
192 HH12 ARG 25 HH12 ARG 25 4.647 10.129 -8.555
193 HH21 ARG 25 HH21 ARG 25 8.012 11.257 -8.475
194 HH22 ARG 25 HH22 ARG 25 6.758 10.634 -9.480
195 H VAL 26 H VAL 26 3.598 8.962 -2.721
196 HA VAL 26 HA VAL 26 3.510 7.149 -0.419
197 HB VAL 26 HB VAL 26 1.507 7.554 -2.661
198 HG11 VAL 26 HG11 VAL 26 1.112 5.477 -1.408
199 HG12 VAL 26 HG12 VAL 26 1.259 6.336 0.138
200 HG13 VAL 26 HG13 VAL 26 -0.107 6.662 -0.946
201 HG21 VAL 26 HG21 VAL 26 1.818 9.705 -1.551
202 HG22 VAL 26 HG22 VAL 26 0.296 9.009 -1.012
203 HG23 VAL 26 HG23 VAL 26 1.718 8.939 0.057
204 H TYR 27 H TYR 27 3.536 4.846 -0.600
205 HA TYR 27 HA TYR 27 3.839 3.553 -3.173
206 HB2 TYR 27 HB2 TYR 27 6.071 2.793 -2.915
207 HB3 TYR 27 HB3 TYR 27 6.148 4.529 -2.695
208 HD1 TYR 27 HD2 TYR 27 6.016 5.383 -0.151
209 HD2 TYR 27 HD1 TYR 27 7.168 1.412 -1.384
210 HE1 TYR 27 HE2 TYR 27 7.044 5.002 2.054
211 HE2 TYR 27 HE1 TYR 27 8.184 1.021 0.817
212 HH TYR 27 HH TYR 27 7.923 3.424 3.483
213 H TYR 28 H TYR 28 4.564 1.081 -2.488
214 HA TYR 28 HA TYR 28 2.944 0.339 -0.105
215 HB2 TYR 28 HB2 TYR 28 3.368 -1.183 -2.713
216 HB3 TYR 28 HB3 TYR 28 2.402 -1.699 -1.338
217 HD1 TYR 28 HD1 TYR 28 0.677 0.368 -0.542
218 HD2 TYR 28 HD2 TYR 28 2.129 -0.370 -4.504
219 HE1 TYR 28 HE1 TYR 28 -1.225 1.650 -1.460
220 HE2 TYR 28 HE2 TYR 28 0.137 0.733 -5.465
221 HH TYR 28 HH TYR 28 -2.037 1.601 -4.898
222 H PHE 29 H PHE 29 3.826 -1.258 1.224
223 HA PHE 29 HA PHE 29 6.638 -2.126 0.690
224 HB2 PHE 29 HB2 PHE 29 6.553 -0.106 2.132
225 HB3 PHE 29 HB3 PHE 29 5.447 -0.932 3.234
226 HD1 PHE 29 HD2 PHE 29 6.257 -3.081 4.405
227 HD2 PHE 29 HD1 PHE 29 8.927 -0.356 2.365
228 HE1 PHE 29 HE2 PHE 29 8.206 -4.055 5.608
229 HE2 PHE 29 HE1 PHE 29 10.845 -1.351 3.555
230 HZ PHE 29 HZ PHE 29 10.464 -3.225 5.146
231 H ASN 30 H ASN 30 6.863 -4.315 1.045
232 HA ASN 30 HA ASN 30 4.580 -5.772 2.286
233 HB2 ASN 30 HB2 ASN 30 5.455 -6.442 0.048
234 HB3 ASN 30 HB3 ASN 30 6.952 -6.933 0.832
235 HD21 ASN 30 HD21 ASN 30 5.632 -8.966 -0.509
236 HD22 ASN 30 HD22 ASN 30 4.886 -10.014 0.653
237 H HIS 31 H HIS 31 4.803 -6.010 4.509
238 HA HIS 31 HA HIS 31 7.447 -5.964 5.729
239 HB2 HIS 31 HB2 HIS 31 6.370 -6.200 7.828
240 HB3 HIS 31 HB3 HIS 31 5.447 -5.058 6.863
241 HD1 HIS 31 HD1 HIS 31 5.163 -8.620 8.302
242 HD2 HIS 31 HD2 HIS 31 2.957 -5.687 6.246
243 HE1 HIS 31 HE1 HIS 31 2.724 -9.330 8.430
244 H ILE 32 H ILE 32 5.778 -8.442 4.165
245 HA ILE 32 HA ILE 32 6.686 -10.658 5.851
246 HB ILE 32 HB ILE 32 5.777 -10.571 2.941
247 HG12 ILE 32 HG12 ILE 32 4.322 -11.570 5.441
248 HG13 ILE 32 HG13 ILE 32 4.106 -9.959 4.767
249 HG21 ILE 32 HG21 ILE 32 6.313 -13.028 4.637
250 HG22 ILE 32 HG22 ILE 32 5.511 -13.020 3.050
251 HG23 ILE 32 HG23 ILE 32 7.178 -12.522 3.163
252 HD11 ILE 32 HD11 ILE 32 2.325 -11.225 3.955
253 HD12 ILE 32 HD12 ILE 32 3.417 -11.013 2.580
254 HD13 ILE 32 HD13 ILE 32 3.349 -12.574 3.445
255 H THR 33 H THR 33 8.002 -9.018 2.923
256 HA THR 33 HA THR 33 10.571 -10.436 3.442
257 HB THR 33 HB THR 33 9.248 -11.456 1.599
258 HG1 THR 33 HG1 THR 33 11.021 -11.594 0.238
259 HG21 THR 33 HG21 THR 33 9.880 -8.903 0.114
260 HG22 THR 33 HG22 THR 33 8.249 -9.380 0.659
261 HG23 THR 33 HG23 THR 33 9.094 -10.346 -0.556
262 H ASN 34 H ASN 34 9.255 -7.522 3.833
263 HA ASN 34 HA ASN 34 10.102 -5.439 3.968
264 HB2 ASN 34 HB2 ASN 34 12.080 -6.797 4.957
265 HB3 ASN 34 HB3 ASN 34 12.897 -6.483 3.432
266 HD21 ASN 34 HD21 ASN 34 12.736 -3.930 2.834
267 HD22 ASN 34 HD22 ASN 34 13.078 -2.834 4.185
268 H ALA 35 H ALA 35 9.207 -6.624 1.411
269 HA ALA 35 HA ALA 35 10.864 -5.346 -0.661
270 HB1 ALA 35 HB1 ALA 35 8.305 -6.996 -0.808
271 HB2 ALA 35 HB2 ALA 35 8.973 -6.137 -2.200
272 HB3 ALA 35 HB3 ALA 35 9.928 -7.386 -1.422
273 H SER 36 H SER 36 9.448 -4.014 -2.256
274 HA SER 36 HA SER 36 7.395 -2.385 -1.223
275 HB2 SER 36 HB2 SER 36 8.660 -0.935 -0.089
276 HB3 SER 36 HB3 SER 36 10.166 -1.596 -0.714
277 HG SER 36 HG SER 36 10.142 0.449 -1.402
278 H GLN 37 H GLN 37 6.390 -1.239 -2.892
279 HA GLN 37 HA GLN 37 7.672 -0.855 -5.401
280 HB2 GLN 37 HB2 GLN 37 5.674 -3.140 -5.118
281 HB3 GLN 37 HB3 GLN 37 5.622 -2.143 -6.561
282 HG2 GLN 37 HG2 GLN 37 8.310 -2.642 -6.456
283 HG3 GLN 37 HG3 GLN 37 7.658 -4.128 -5.772
284 HE21 GLN 37 HE21 GLN 37 6.409 -5.514 -7.216
285 HE22 GLN 37 HE22 GLN 37 6.401 -5.231 -8.953
286 H TRP 38 H TRP 38 5.936 0.011 -6.982
287 HA TRP 38 HA TRP 38 4.297 1.974 -5.468
288 HB2 TRP 38 HB2 TRP 38 5.282 2.052 -8.332
289 HB3 TRP 38 HB3 TRP 38 4.590 3.381 -7.390
290 HD1 TRP 38 HD1 TRP 38 7.778 1.225 -7.646
291 HE1 TRP 38 HE1 TRP 38 9.652 2.296 -6.268
292 HE3 TRP 38 HE3 TRP 38 5.215 5.150 -5.602
293 HZ2 TRP 38 HZ2 TRP 38 10.132 4.829 -4.955
294 HZ3 TRP 38 HZ3 TRP 38 6.404 6.876 -4.302
295 HH2 TRP 38 HH2 TRP 38 8.875 6.759 -4.023
296 H GLU 39 H GLU 39 4.167 -0.611 -7.886
297 HA GLU 39 HA GLU 39 1.565 -0.049 -8.907
298 HB2 GLU 39 HB2 GLU 39 1.848 -2.142 -10.042
299 HB3 GLU 39 HB3 GLU 39 3.319 -1.260 -10.057
300 HG2 GLU 39 HG2 GLU 39 4.087 -3.373 -9.617
301 HG3 GLU 39 HG3 GLU 39 4.061 -2.696 -8.007
302 H ARG 40 H ARG 40 -0.411 -1.216 -8.396
303 HA ARG 40 HA ARG 40 -0.823 -1.716 -5.594
304 HB2 ARG 40 HB2 ARG 40 -2.503 -1.935 -8.099
305 HB3 ARG 40 HB3 ARG 40 -3.121 -2.520 -6.538
306 HG2 ARG 40 HG2 ARG 40 -3.021 -0.402 -5.525
307 HG3 ARG 40 HG3 ARG 40 -1.907 0.261 -6.721
308 HD2 ARG 40 HD2 ARG 40 -3.642 0.316 -8.439
309 HD3 ARG 40 HD3 ARG 40 -4.743 -0.569 -7.391
310 HE ARG 40 HE ARG 40 -5.179 1.235 -6.099
311 HH11 ARG 40 HH11 ARG 40 -2.715 2.311 -8.486
312 HH12 ARG 40 HH12 ARG 40 -3.163 3.965 -8.383
313 HH21 ARG 40 HH21 ARG 40 -5.935 3.444 -6.231
314 HH22 ARG 40 HH22 ARG 40 -4.981 4.602 -7.082
315 HA PRO 41 HA PRO 41 0.763 -5.942 -6.090
316 HB2 PRO 41 HB2 PRO 41 1.019 -6.591 -3.459
317 HB3 PRO 41 HB3 PRO 41 2.113 -5.472 -4.315
318 HG2 PRO 41 HG2 PRO 41 -0.296 -4.807 -2.606
319 HG3 PRO 41 HG3 PRO 41 1.347 -4.105 -2.485
320 HD2 PRO 41 HD2 PRO 41 -0.646 -2.858 -3.851
321 HD3 PRO 41 HD3 PRO 41 1.042 -2.807 -4.370
322 H SER 42 H SER 42 0.258 -8.095 -4.958
323 HA SER 42 HA SER 42 -2.483 -8.600 -4.205
324 HB2 SER 42 HB2 SER 42 -2.304 -10.561 -6.015
325 HB3 SER 42 HB3 SER 42 -2.998 -8.984 -6.403
326 HG SER 42 HG SER 42 -1.145 -8.368 -7.424
327 H GLY 43 H GLY 43 -2.298 -9.903 -2.528
328 HA2 GLY 43 HA2 GLY 43 -0.041 -11.775 -2.110
329 HA3 GLY 43 HA3 GLY 43 -0.540 -10.643 -0.825
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -14.803 10.779 -4.893
2 HA2 GLY 1 HA2 GLY 1 -13.131 9.089 -4.219
3 HA3 GLY 1 HA3 GLY 1 -12.252 10.415 -3.424
4 H LEU 2 H LEU 2 -15.249 8.493 -3.449
5 HA LEU 2 HA LEU 2 -15.509 8.554 -0.588
6 HB2 LEU 2 HB2 LEU 2 -17.749 9.352 -0.502
7 HB3 LEU 2 HB3 LEU 2 -16.760 10.628 -1.174
8 HG LEU 2 HG LEU 2 -18.557 8.766 -2.831
9 HD11 LEU 2 HD11 LEU 2 -19.782 10.191 -1.203
10 HD12 LEU 2 HD12 LEU 2 -20.138 10.572 -2.884
11 HD13 LEU 2 HD13 LEU 2 -19.043 11.632 -1.934
12 HD21 LEU 2 HD21 LEU 2 -16.906 9.748 -4.302
13 HD22 LEU 2 HD22 LEU 2 -17.058 11.342 -3.505
14 HD23 LEU 2 HD23 LEU 2 -18.379 10.680 -4.488
15 H GLU 3 H GLU 3 -17.206 6.861 -0.050
16 HA GLU 3 HA GLU 3 -18.062 4.767 -0.308
17 HB2 GLU 3 HB2 GLU 3 -19.270 6.234 -2.238
18 HB3 GLU 3 HB3 GLU 3 -18.410 5.123 -3.271
19 HG2 GLU 3 HG2 GLU 3 -20.364 3.985 -3.051
20 HG3 GLU 3 HG3 GLU 3 -19.506 3.275 -1.693
21 H HIS 4 H HIS 4 -15.187 5.496 -1.020
22 HA HIS 4 HA HIS 4 -14.174 3.481 -2.836
23 HB2 HIS 4 HB2 HIS 4 -12.032 4.522 -2.388
24 HB3 HIS 4 HB3 HIS 4 -13.238 5.763 -2.668
25 HD1 HIS 4 HD1 HIS 4 -11.251 4.204 0.254
26 HD2 HIS 4 HD2 HIS 4 -13.458 7.619 -0.818
27 HE1 HIS 4 HE1 HIS 4 -10.989 5.866 2.174
28 H MET 5 H MET 5 -15.152 3.318 0.371
29 HA MET 5 HA MET 5 -13.063 1.630 1.473
30 HB2 MET 5 HB2 MET 5 -14.595 3.084 2.810
31 HB3 MET 5 HB3 MET 5 -15.957 2.075 2.355
32 HG2 MET 5 HG2 MET 5 -13.550 1.338 4.038
33 HG3 MET 5 HG3 MET 5 -15.206 1.536 4.575
34 HE1 MET 5 HE1 MET 5 -15.502 -0.533 5.896
35 HE2 MET 5 HE2 MET 5 -15.028 -2.179 5.407
36 HE3 MET 5 HE3 MET 5 -13.795 -0.943 5.722
37 H ALA 6 H ALA 6 -12.735 -0.321 0.517
38 HA ALA 6 HA ALA 6 -14.980 -2.156 0.130
39 HB1 ALA 6 HB1 ALA 6 -14.245 -2.758 -2.147
40 HB2 ALA 6 HB2 ALA 6 -14.721 -1.056 -2.080
41 HB3 ALA 6 HB3 ALA 6 -12.995 -1.494 -2.102
42 H ASP 7 H ASP 7 -13.911 -4.387 -0.484
43 HA ASP 7 HA ASP 7 -11.921 -4.968 1.504
44 HB2 ASP 7 HB2 ASP 7 -12.953 -6.624 -0.811
45 HB3 ASP 7 HB3 ASP 7 -11.835 -7.225 0.416
46 H GLU 8 H GLU 8 -11.704 -3.978 -1.817
47 HA GLU 8 HA GLU 8 -9.081 -4.857 -2.547
48 HB2 GLU 8 HB2 GLU 8 -10.723 -3.854 -4.131
49 HB3 GLU 8 HB3 GLU 8 -10.629 -2.325 -3.267
50 HG2 GLU 8 HG2 GLU 8 -7.973 -2.703 -3.949
51 HG3 GLU 8 HG3 GLU 8 -8.785 -3.537 -5.265
52 H GLU 9 H GLU 9 -10.262 -2.164 -0.656
53 HA GLU 9 HA GLU 9 -7.999 -0.532 -0.508
54 HB2 GLU 9 HB2 GLU 9 -10.439 -0.116 0.087
55 HB3 GLU 9 HB3 GLU 9 -10.099 -0.853 1.653
56 HG2 GLU 9 HG2 GLU 9 -8.540 1.500 0.524
57 HG3 GLU 9 HG3 GLU 9 -10.038 1.701 1.438
58 H LYS 10 H LYS 10 -8.678 -3.584 1.101
59 HA LYS 10 HA LYS 10 -6.621 -3.261 3.168
60 HB2 LYS 10 HB2 LYS 10 -8.480 -5.563 2.398
61 HB3 LYS 10 HB3 LYS 10 -7.220 -5.688 3.586
62 HG2 LYS 10 HG2 LYS 10 -8.983 -5.166 4.962
63 HG3 LYS 10 HG3 LYS 10 -8.292 -3.571 4.688
64 HD2 LYS 10 HD2 LYS 10 -10.097 -3.751 2.586
65 HD3 LYS 10 HD3 LYS 10 -10.880 -4.757 3.799
66 HE2 LYS 10 HE2 LYS 10 -10.761 -2.870 5.421
67 HE3 LYS 10 HE3 LYS 10 -9.876 -1.895 4.232
68 HZ1 LYS 10 HZ1 LYS 10 -11.836 -2.085 2.785
69 HZ2 LYS 10 HZ2 LYS 10 -12.126 -1.293 4.213
70 HZ3 LYS 10 HZ3 LYS 10 -12.648 -2.858 3.985
71 H LEU 11 H LEU 11 -4.529 -3.283 2.416
72 HA LEU 11 HA LEU 11 -3.778 -4.435 -0.047
73 HB2 LEU 11 HB2 LEU 11 -2.397 -3.388 2.413
74 HB3 LEU 11 HB3 LEU 11 -1.418 -4.348 1.334
75 HG LEU 11 HG LEU 11 -1.306 -1.901 0.926
76 HD11 LEU 11 HD11 LEU 11 -2.442 -3.496 -1.431
77 HD12 LEU 11 HD12 LEU 11 -0.743 -3.412 -0.889
78 HD13 LEU 11 HD13 LEU 11 -1.559 -2.007 -1.573
79 HD21 LEU 11 HD21 LEU 11 -3.554 -1.130 1.337
80 HD22 LEU 11 HD22 LEU 11 -4.233 -2.169 0.057
81 HD23 LEU 11 HD23 LEU 11 -3.226 -0.830 -0.367
82 HA PRO 12 HA PRO 12 -3.597 -8.686 0.657
83 HB2 PRO 12 HB2 PRO 12 -1.251 -9.472 -0.626
84 HB3 PRO 12 HB3 PRO 12 -2.844 -9.174 -1.375
85 HG2 PRO 12 HG2 PRO 12 -0.426 -7.417 -1.256
86 HG3 PRO 12 HG3 PRO 12 -1.626 -7.584 -2.573
87 HD2 PRO 12 HD2 PRO 12 -1.574 -5.523 -0.725
88 HD3 PRO 12 HD3 PRO 12 -3.055 -6.056 -1.566
89 HA PRO 13 HA PRO 13 -1.247 -9.823 4.151
90 HB2 PRO 13 HB2 PRO 13 -0.597 -12.484 3.745
91 HB3 PRO 13 HB3 PRO 13 -2.205 -11.879 4.220
92 HG2 PRO 13 HG2 PRO 13 -1.217 -12.531 1.419
93 HG3 PRO 13 HG3 PRO 13 -2.770 -13.009 2.171
94 HD2 PRO 13 HD2 PRO 13 -2.671 -10.932 0.526
95 HD3 PRO 13 HD3 PRO 13 -3.640 -10.801 2.022
96 H GLY 14 H GLY 14 0.609 -8.948 4.491
97 HA2 GLY 14 HA2 GLY 14 3.025 -9.323 4.713
98 HA3 GLY 14 HA3 GLY 14 3.068 -9.736 2.997
99 H TRP 15 H TRP 15 1.105 -7.570 2.230
100 HA TRP 15 HA TRP 15 3.114 -5.449 2.109
101 HB2 TRP 15 HB2 TRP 15 0.440 -5.877 0.743
102 HB3 TRP 15 HB3 TRP 15 1.424 -4.447 0.529
103 HD1 TRP 15 HD1 TRP 15 1.560 -8.231 -0.276
104 HE1 TRP 15 HE1 TRP 15 3.171 -8.573 -2.239
105 HE3 TRP 15 HE3 TRP 15 3.461 -3.502 -0.544
106 HZ2 TRP 15 HZ2 TRP 15 4.983 -6.901 -3.841
107 HZ3 TRP 15 HZ3 TRP 15 5.095 -2.891 -2.303
108 HH2 TRP 15 HH2 TRP 15 5.878 -4.603 -3.942
109 H GLU 16 H GLU 16 2.593 -3.283 2.607
110 HA GLU 16 HA GLU 16 0.306 -2.607 4.381
111 HB2 GLU 16 HB2 GLU 16 3.308 -2.407 4.885
112 HB3 GLU 16 HB3 GLU 16 2.227 -1.276 5.660
113 HG2 GLU 16 HG2 GLU 16 1.692 -4.240 5.939
114 HG3 GLU 16 HG3 GLU 16 2.946 -3.468 6.904
115 H LYS 17 H LYS 17 -0.531 -0.704 3.786
116 HA LYS 17 HA LYS 17 0.758 0.940 1.731
117 HB2 LYS 17 HB2 LYS 17 -1.630 0.544 1.739
118 HB3 LYS 17 HB3 LYS 17 -1.790 1.168 3.388
119 HG2 LYS 17 HG2 LYS 17 -1.082 3.432 2.609
120 HG3 LYS 17 HG3 LYS 17 -0.986 2.819 0.946
121 HD2 LYS 17 HD2 LYS 17 -3.376 2.202 1.037
122 HD3 LYS 17 HD3 LYS 17 -3.478 2.724 2.727
123 HE2 LYS 17 HE2 LYS 17 -2.891 5.048 2.030
124 HE3 LYS 17 HE3 LYS 17 -2.861 4.486 0.338
125 HZ1 LYS 17 HZ1 LYS 17 -4.979 5.410 0.692
126 HZ2 LYS 17 HZ2 LYS 17 -5.238 4.603 2.094
127 HZ3 LYS 17 HZ3 LYS 17 -5.196 3.782 0.694
128 H ARG 18 H ARG 18 2.134 2.554 2.155
129 HA ARG 18 HA ARG 18 2.077 3.813 4.834
130 HB2 ARG 18 HB2 ARG 18 4.606 2.916 3.383
131 HB3 ARG 18 HB3 ARG 18 4.547 3.866 4.860
132 HG2 ARG 18 HG2 ARG 18 2.987 1.678 5.549
133 HG3 ARG 18 HG3 ARG 18 4.194 0.945 4.492
134 HD2 ARG 18 HD2 ARG 18 5.998 1.823 5.901
135 HD3 ARG 18 HD3 ARG 18 4.849 2.801 6.823
136 HE ARG 18 HE ARG 18 3.897 0.902 7.832
137 HH11 ARG 18 HH11 ARG 18 6.962 0.056 6.209
138 HH12 ARG 18 HH12 ARG 18 6.739 -1.642 6.480
139 HH21 ARG 18 HH21 ARG 18 3.869 -1.129 8.490
140 HH22 ARG 18 HH22 ARG 18 5.089 -2.311 8.105
141 H MET 19 H MET 19 3.635 5.801 4.714
142 HA MET 19 HA MET 19 3.347 7.175 2.129
143 HB2 MET 19 HB2 MET 19 1.533 7.886 3.758
144 HB3 MET 19 HB3 MET 19 2.836 8.414 4.847
145 HG2 MET 19 HG2 MET 19 3.694 9.792 2.846
146 HG3 MET 19 HG3 MET 19 2.158 9.438 2.064
147 HE1 MET 19 HE1 MET 19 2.970 12.204 5.659
148 HE2 MET 19 HE2 MET 19 3.110 10.451 5.871
149 HE3 MET 19 HE3 MET 19 4.159 11.292 4.712
150 H GLU 20 H GLU 20 5.196 8.219 1.573
151 HA GLU 20 HA GLU 20 7.562 7.617 3.078
152 HB2 GLU 20 HB2 GLU 20 7.135 9.410 0.662
153 HB3 GLU 20 HB3 GLU 20 8.720 9.065 1.345
154 HG2 GLU 20 HG2 GLU 20 6.797 7.007 0.214
155 HG3 GLU 20 HG3 GLU 20 8.156 7.699 -0.638
156 H ARG 21 H ARG 21 8.667 8.726 4.539
157 HA ARG 21 HA ARG 21 7.411 11.135 5.587
158 HB2 ARG 21 HB2 ARG 21 10.083 9.913 6.385
159 HB3 ARG 21 HB3 ARG 21 9.135 11.103 7.286
160 HG2 ARG 21 HG2 ARG 21 7.233 9.431 7.360
161 HG3 ARG 21 HG3 ARG 21 8.315 8.223 6.668
162 HD2 ARG 21 HD2 ARG 21 9.761 8.263 8.577
163 HD3 ARG 21 HD3 ARG 21 8.916 9.662 9.273
164 HE ARG 21 HE ARG 21 6.847 8.129 9.213
165 HH11 ARG 21 HH11 ARG 21 9.977 7.310 10.495
166 HH12 ARG 21 HH12 ARG 21 9.575 5.692 10.992
167 HH21 ARG 21 HH21 ARG 21 6.133 6.175 10.039
168 HH22 ARG 21 HH22 ARG 21 7.170 5.235 11.080
169 H SER 22 H SER 22 10.074 10.510 3.285
170 HA SER 22 HA SER 22 11.208 13.121 3.591
171 HB2 SER 22 HB2 SER 22 12.320 12.535 1.399
172 HB3 SER 22 HB3 SER 22 12.581 11.389 2.719
173 HG SER 22 HG SER 22 12.116 10.326 0.819
174 H SER 23 H SER 23 8.783 11.827 1.320
175 HA SER 23 HA SER 23 8.403 14.617 0.271
176 HB2 SER 23 HB2 SER 23 7.931 12.006 -1.159
177 HB3 SER 23 HB3 SER 23 7.904 13.635 -1.831
178 HG SER 23 HG SER 23 9.989 13.278 -2.197
179 H GLY 24 H GLY 24 6.705 12.099 1.986
180 HA2 GLY 24 HA2 GLY 24 4.510 12.065 2.651
181 HA3 GLY 24 HA3 GLY 24 4.341 13.692 1.933
182 H ARG 25 H ARG 25 5.129 10.428 0.669
183 HA ARG 25 HA ARG 25 2.922 10.748 -1.318
184 HB2 ARG 25 HB2 ARG 25 5.565 11.002 -1.939
185 HB3 ARG 25 HB3 ARG 25 5.440 9.256 -1.987
186 HG2 ARG 25 HG2 ARG 25 5.030 10.067 -4.182
187 HG3 ARG 25 HG3 ARG 25 3.435 9.564 -3.596
188 HD2 ARG 25 HD2 ARG 25 2.740 11.814 -3.203
189 HD3 ARG 25 HD3 ARG 25 4.375 12.429 -3.247
190 HE ARG 25 HE ARG 25 2.560 12.332 -5.362
191 HH11 ARG 25 HH11 ARG 25 6.093 12.129 -4.939
192 HH12 ARG 25 HH12 ARG 25 6.402 11.959 -6.626
193 HH21 ARG 25 HH21 ARG 25 3.016 12.207 -7.588
194 HH22 ARG 25 HH22 ARG 25 4.633 12.038 -8.161
195 H VAL 26 H VAL 26 1.562 9.051 -1.380
196 HA VAL 26 HA VAL 26 1.972 6.934 0.600
197 HB VAL 26 HB VAL 26 -0.311 7.064 -1.354
198 HG11 VAL 26 HG11 VAL 26 -0.161 5.025 0.001
199 HG12 VAL 26 HG12 VAL 26 -0.093 6.004 1.488
200 HG13 VAL 26 HG13 VAL 26 -1.545 6.031 0.467
201 HG21 VAL 26 HG21 VAL 26 -0.257 9.282 -0.381
202 HG22 VAL 26 HG22 VAL 26 -1.550 8.375 0.377
203 HG23 VAL 26 HG23 VAL 26 -0.008 8.611 1.253
204 H TYR 27 H TYR 27 2.245 4.709 0.153
205 HA TYR 27 HA TYR 27 2.451 3.702 -2.540
206 HB2 TYR 27 HB2 TYR 27 4.790 3.224 -2.532
207 HB3 TYR 27 HB3 TYR 27 4.643 4.922 -2.164
208 HD1 TYR 27 HD2 TYR 27 4.691 5.620 0.382
209 HD2 TYR 27 HD1 TYR 27 6.091 1.841 -1.138
210 HE1 TYR 27 HE2 TYR 27 6.164 5.368 2.352
211 HE2 TYR 27 HE1 TYR 27 7.519 1.554 0.832
212 HH TYR 27 HH TYR 27 8.158 4.346 2.914
213 H TYR 28 H TYR 28 3.610 1.319 -2.133
214 HA TYR 28 HA TYR 28 2.352 0.158 0.317
215 HB2 TYR 28 HB2 TYR 28 2.677 -1.023 -2.456
216 HB3 TYR 28 HB3 TYR 28 1.942 -1.805 -1.065
217 HD1 TYR 28 HD1 TYR 28 0.055 -0.084 0.083
218 HD2 TYR 28 HD2 TYR 28 1.118 -0.277 -4.068
219 HE1 TYR 28 HE1 TYR 28 -2.105 0.919 -0.478
220 HE2 TYR 28 HE2 TYR 28 -1.093 0.629 -4.694
221 HH TYR 28 HH TYR 28 -3.240 1.323 -3.880
222 H PHE 29 H PHE 29 3.592 -1.355 1.458
223 HA PHE 29 HA PHE 29 6.367 -1.918 0.497
224 HB2 PHE 29 HB2 PHE 29 6.308 -0.016 2.125
225 HB3 PHE 29 HB3 PHE 29 5.572 -1.086 3.310
226 HD1 PHE 29 HD2 PHE 29 6.874 -3.168 4.074
227 HD2 PHE 29 HD1 PHE 29 8.711 -0.019 1.758
228 HE1 PHE 29 HE2 PHE 29 9.119 -4.033 4.651
229 HE2 PHE 29 HE1 PHE 29 10.935 -0.949 2.264
230 HZ PHE 29 HZ PHE 29 11.141 -2.912 3.766
231 H ASN 30 H ASN 30 6.935 -4.011 0.698
232 HA ASN 30 HA ASN 30 5.082 -5.915 2.082
233 HB2 ASN 30 HB2 ASN 30 5.709 -6.163 -0.362
234 HB3 ASN 30 HB3 ASN 30 7.316 -6.601 0.174
235 HD21 ASN 30 HD21 ASN 30 5.831 -8.506 -1.319
236 HD22 ASN 30 HD22 ASN 30 5.370 -9.774 -0.212
237 H HIS 31 H HIS 31 5.716 -6.370 4.246
238 HA HIS 31 HA HIS 31 8.506 -6.175 4.992
239 HB2 HIS 31 HB2 HIS 31 7.865 -6.920 7.162
240 HB3 HIS 31 HB3 HIS 31 6.634 -5.820 6.597
241 HD1 HIS 31 HD1 HIS 31 7.061 -9.496 7.543
242 HD2 HIS 31 HD2 HIS 31 4.184 -6.696 6.273
243 HE1 HIS 31 HE1 HIS 31 4.815 -10.674 7.651
244 H ILE 32 H ILE 32 6.794 -8.712 3.392
245 HA ILE 32 HA ILE 32 8.193 -10.943 4.589
246 HB ILE 32 HB ILE 32 6.803 -10.641 1.895
247 HG12 ILE 32 HG12 ILE 32 5.900 -12.115 4.416
248 HG13 ILE 32 HG13 ILE 32 5.405 -10.473 4.013
249 HG21 ILE 32 HG21 ILE 32 8.363 -12.391 1.528
250 HG22 ILE 32 HG22 ILE 32 8.057 -13.115 3.110
251 HG23 ILE 32 HG23 ILE 32 6.831 -13.172 1.824
252 HD11 ILE 32 HD11 ILE 32 4.749 -12.964 2.397
253 HD12 ILE 32 HD12 ILE 32 3.656 -11.953 3.344
254 HD13 ILE 32 HD13 ILE 32 4.409 -11.299 1.875
255 H THR 33 H THR 33 8.829 -8.868 1.734
256 HA THR 33 HA THR 33 11.554 -10.078 1.576
257 HB THR 33 HB THR 33 10.084 -10.983 -0.084
258 HG1 THR 33 HG1 THR 33 11.583 -10.954 -1.366
259 HG21 THR 33 HG21 THR 33 8.333 -9.446 -0.401
260 HG22 THR 33 HG22 THR 33 9.193 -9.485 -1.941
261 HG23 THR 33 HG23 THR 33 9.450 -8.134 -0.815
262 H ASN 34 H ASN 34 10.099 -7.424 2.710
263 HA ASN 34 HA ASN 34 10.740 -5.305 3.091
264 HB2 ASN 34 HB2 ASN 34 12.951 -6.697 3.500
265 HB3 ASN 34 HB3 ASN 34 13.512 -5.886 2.062
266 HD21 ASN 34 HD21 ASN 34 12.868 -5.646 5.441
267 HD22 ASN 34 HD22 ASN 34 13.380 -3.985 5.662
268 H ALA 35 H ALA 35 9.576 -6.036 0.592
269 HA ALA 35 HA ALA 35 10.843 -4.409 -1.527
270 HB1 ALA 35 HB1 ALA 35 10.017 -6.552 -2.265
271 HB2 ALA 35 HB2 ALA 35 8.389 -6.215 -1.611
272 HB3 ALA 35 HB3 ALA 35 9.008 -5.291 -2.958
273 H SER 36 H SER 36 9.114 -3.153 -2.795
274 HA SER 36 HA SER 36 6.933 -1.936 -1.480
275 HB2 SER 36 HB2 SER 36 8.079 -0.476 -0.245
276 HB3 SER 36 HB3 SER 36 9.612 -0.756 -1.086
277 HG SER 36 HG SER 36 9.248 1.242 -1.591
278 H GLN 37 H GLN 37 5.677 -0.720 -2.933
279 HA GLN 37 HA GLN 37 6.754 0.104 -5.449
280 HB2 GLN 37 HB2 GLN 37 5.394 -2.534 -5.234
281 HB3 GLN 37 HB3 GLN 37 4.639 -1.458 -6.397
282 HG2 GLN 37 HG2 GLN 37 7.027 -1.134 -7.375
283 HG3 GLN 37 HG3 GLN 37 7.489 -2.524 -6.384
284 HE21 GLN 37 HE21 GLN 37 7.504 -4.434 -7.660
285 HE22 GLN 37 HE22 GLN 37 6.249 -4.795 -8.797
286 H TRP 38 H TRP 38 4.636 0.810 -6.819
287 HA TRP 38 HA TRP 38 3.006 2.482 -4.966
288 HB2 TRP 38 HB2 TRP 38 3.619 2.936 -7.906
289 HB3 TRP 38 HB3 TRP 38 2.799 4.036 -6.803
290 HD1 TRP 38 HD1 TRP 38 6.219 2.555 -7.550
291 HE1 TRP 38 HE1 TRP 38 8.083 3.970 -6.436
292 HE3 TRP 38 HE3 TRP 38 3.312 5.753 -4.843
293 HZ2 TRP 38 HZ2 TRP 38 8.248 6.180 -4.602
294 HZ3 TRP 38 HZ3 TRP 38 4.356 7.423 -3.330
295 HH2 TRP 38 HH2 TRP 38 6.830 7.628 -3.190
296 H GLU 39 H GLU 39 2.933 0.184 -7.661
297 HA GLU 39 HA GLU 39 0.069 0.463 -8.141
298 HB2 GLU 39 HB2 GLU 39 2.215 -1.475 -9.097
299 HB3 GLU 39 HB3 GLU 39 0.537 -1.551 -9.632
300 HG2 GLU 39 HG2 GLU 39 2.398 0.859 -9.994
301 HG3 GLU 39 HG3 GLU 39 1.972 -0.305 -11.240
302 H ARG 40 H ARG 40 -1.517 -1.193 -7.772
303 HA ARG 40 HA ARG 40 -1.645 -2.165 -5.141
304 HB2 ARG 40 HB2 ARG 40 -3.234 -2.484 -7.672
305 HB3 ARG 40 HB3 ARG 40 -3.536 -3.629 -6.369
306 HG2 ARG 40 HG2 ARG 40 -4.181 -1.977 -4.820
307 HG3 ARG 40 HG3 ARG 40 -3.557 -0.648 -5.800
308 HD2 ARG 40 HD2 ARG 40 -5.763 -2.479 -6.803
309 HD3 ARG 40 HD3 ARG 40 -6.113 -1.038 -5.841
310 HE ARG 40 HE ARG 40 -4.507 -0.055 -7.800
311 HH11 ARG 40 HH11 ARG 40 -7.776 -1.469 -7.669
312 HH12 ARG 40 HH12 ARG 40 -8.148 -1.051 -9.298
313 HH21 ARG 40 HH21 ARG 40 -5.101 0.539 -9.962
314 HH22 ARG 40 HH22 ARG 40 -6.556 -0.003 -10.686
315 HA PRO 41 HA PRO 41 0.914 -5.781 -6.028
316 HB2 PRO 41 HB2 PRO 41 1.251 -6.683 -3.461
317 HB3 PRO 41 HB3 PRO 41 2.137 -5.303 -4.157
318 HG2 PRO 41 HG2 PRO 41 -0.331 -5.289 -2.434
319 HG3 PRO 41 HG3 PRO 41 1.110 -4.268 -2.236
320 HD2 PRO 41 HD2 PRO 41 -1.210 -3.464 -3.475
321 HD3 PRO 41 HD3 PRO 41 0.388 -2.841 -3.955
322 H SER 42 H SER 42 0.790 -8.155 -4.986
323 HA SER 42 HA SER 42 -1.911 -9.093 -4.570
324 HB2 SER 42 HB2 SER 42 -1.178 -10.854 -6.475
325 HB3 SER 42 HB3 SER 42 -2.009 -9.357 -6.890
326 HG SER 42 HG SER 42 -0.189 -8.490 -7.660
327 H GLY 43 H GLY 43 -1.765 -10.423 -2.984
328 HA2 GLY 43 HA2 GLY 43 0.684 -12.050 -2.426
329 HA3 GLY 43 HA3 GLY 43 -0.244 -11.272 -1.134
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -15.834 12.137 4.045
2 HA2 GLY 1 HA2 GLY 1 -17.079 11.709 1.996
3 HA3 GLY 1 HA3 GLY 1 -15.598 12.058 1.086
4 H LEU 2 H LEU 2 -14.805 10.205 0.295
5 HA LEU 2 HA LEU 2 -14.210 8.042 -0.006
6 HB2 LEU 2 HB2 LEU 2 -13.294 8.552 2.828
7 HB3 LEU 2 HB3 LEU 2 -12.857 7.086 1.973
8 HG LEU 2 HG LEU 2 -12.249 9.723 0.664
9 HD11 LEU 2 HD11 LEU 2 -10.047 9.754 1.820
10 HD12 LEU 2 HD12 LEU 2 -10.633 8.488 2.917
11 HD13 LEU 2 HD13 LEU 2 -11.403 10.081 2.904
12 HD21 LEU 2 HD21 LEU 2 -11.884 7.506 -0.498
13 HD22 LEU 2 HD22 LEU 2 -10.765 7.058 0.788
14 HD23 LEU 2 HD23 LEU 2 -10.373 8.423 -0.262
15 H GLU 3 H GLU 3 -16.982 8.175 0.448
16 HA GLU 3 HA GLU 3 -17.686 6.105 2.395
17 HB2 GLU 3 HB2 GLU 3 -19.930 6.554 1.842
18 HB3 GLU 3 HB3 GLU 3 -19.105 8.096 1.920
19 HG2 GLU 3 HG2 GLU 3 -19.929 8.585 -0.120
20 HG3 GLU 3 HG3 GLU 3 -18.939 7.335 -0.827
21 H HIS 4 H HIS 4 -16.857 6.148 -0.961
22 HA HIS 4 HA HIS 4 -18.299 3.892 -1.869
23 HB2 HIS 4 HB2 HIS 4 -15.563 4.923 -2.758
24 HB3 HIS 4 HB3 HIS 4 -16.628 3.858 -3.677
25 HD1 HIS 4 HD1 HIS 4 -19.392 5.353 -3.394
26 HD2 HIS 4 HD2 HIS 4 -15.661 7.214 -4.076
27 HE1 HIS 4 HE1 HIS 4 -19.911 7.671 -4.260
28 H MET 5 H MET 5 -18.191 1.869 -1.182
29 HA MET 5 HA MET 5 -16.594 0.935 0.885
30 HB2 MET 5 HB2 MET 5 -17.890 -0.842 -1.210
31 HB3 MET 5 HB3 MET 5 -17.418 -1.264 0.426
32 HG2 MET 5 HG2 MET 5 -19.108 0.519 1.210
33 HG3 MET 5 HG3 MET 5 -19.683 0.535 -0.456
34 HE1 MET 5 HE1 MET 5 -22.101 -0.328 -0.266
35 HE2 MET 5 HE2 MET 5 -22.610 -1.503 0.949
36 HE3 MET 5 HE3 MET 5 -21.873 0.041 1.454
37 H ALA 6 H ALA 6 -14.455 1.198 0.690
38 HA ALA 6 HA ALA 6 -12.947 0.068 -1.593
39 HB1 ALA 6 HB1 ALA 6 -12.344 2.314 -0.853
40 HB2 ALA 6 HB2 ALA 6 -12.066 1.723 0.812
41 HB3 ALA 6 HB3 ALA 6 -11.045 1.166 -0.530
42 H ASP 7 H ASP 7 -13.144 -2.080 -1.293
43 HA ASP 7 HA ASP 7 -12.396 -3.372 1.312
44 HB2 ASP 7 HB2 ASP 7 -14.254 -4.083 -0.950
45 HB3 ASP 7 HB3 ASP 7 -13.316 -5.382 -0.231
46 H GLU 8 H GLU 8 -11.972 -3.351 -2.250
47 HA GLU 8 HA GLU 8 -9.853 -5.259 -2.324
48 HB2 GLU 8 HB2 GLU 8 -9.693 -4.613 -4.644
49 HB3 GLU 8 HB3 GLU 8 -11.397 -4.554 -4.154
50 HG2 GLU 8 HG2 GLU 8 -10.959 -2.006 -3.730
51 HG3 GLU 8 HG3 GLU 8 -9.504 -2.256 -4.697
52 H GLU 9 H GLU 9 -9.906 -1.997 -1.439
53 HA GLU 9 HA GLU 9 -7.268 -1.114 -2.053
54 HB2 GLU 9 HB2 GLU 9 -9.320 0.215 -1.573
55 HB3 GLU 9 HB3 GLU 9 -9.273 -0.343 0.101
56 HG2 GLU 9 HG2 GLU 9 -8.514 1.861 0.027
57 HG3 GLU 9 HG3 GLU 9 -7.114 0.881 0.415
58 H LYS 10 H LYS 10 -8.354 -3.526 0.185
59 HA LYS 10 HA LYS 10 -6.333 -3.112 2.236
60 HB2 LYS 10 HB2 LYS 10 -8.471 -5.169 1.596
61 HB3 LYS 10 HB3 LYS 10 -7.284 -5.435 2.857
62 HG2 LYS 10 HG2 LYS 10 -9.456 -4.498 3.654
63 HG3 LYS 10 HG3 LYS 10 -8.006 -3.613 4.136
64 HD2 LYS 10 HD2 LYS 10 -8.517 -1.871 2.405
65 HD3 LYS 10 HD3 LYS 10 -10.054 -2.730 2.078
66 HE2 LYS 10 HE2 LYS 10 -10.598 -2.457 4.507
67 HE3 LYS 10 HE3 LYS 10 -9.036 -1.626 4.698
68 HZ1 LYS 10 HZ1 LYS 10 -11.221 -0.647 2.952
69 HZ2 LYS 10 HZ2 LYS 10 -9.791 0.101 3.247
70 HZ3 LYS 10 HZ3 LYS 10 -10.848 -0.065 4.473
71 H LEU 11 H LEU 11 -4.399 -3.334 1.508
72 HA LEU 11 HA LEU 11 -3.454 -4.719 -0.695
73 HB2 LEU 11 HB2 LEU 11 -2.177 -3.727 1.865
74 HB3 LEU 11 HB3 LEU 11 -1.197 -4.673 0.785
75 HG LEU 11 HG LEU 11 -0.969 -2.232 0.441
76 HD11 LEU 11 HD11 LEU 11 -0.367 -3.657 -1.403
77 HD12 LEU 11 HD12 LEU 11 -1.198 -2.251 -2.072
78 HD13 LEU 11 HD13 LEU 11 -2.056 -3.757 -1.970
79 HD21 LEU 11 HD21 LEU 11 -3.360 -1.609 0.875
80 HD22 LEU 11 HD22 LEU 11 -3.786 -2.302 -0.715
81 HD23 LEU 11 HD23 LEU 11 -2.733 -0.926 -0.620
82 HA PRO 12 HA PRO 12 -3.277 -8.995 0.112
83 HB2 PRO 12 HB2 PRO 12 -0.870 -9.768 -1.075
84 HB3 PRO 12 HB3 PRO 12 -2.386 -9.394 -1.946
85 HG2 PRO 12 HG2 PRO 12 0.012 -7.653 -1.454
86 HG3 PRO 12 HG3 PRO 12 -0.952 -7.816 -2.940
87 HD2 PRO 12 HD2 PRO 12 -1.228 -5.762 -1.178
88 HD3 PRO 12 HD3 PRO 12 -2.610 -6.382 -2.120
89 HA PRO 13 HA PRO 13 -0.997 -9.962 3.639
90 HB2 PRO 13 HB2 PRO 13 -0.297 -12.589 3.488
91 HB3 PRO 13 HB3 PRO 13 -1.971 -12.013 3.637
92 HG2 PRO 13 HG2 PRO 13 -0.618 -12.760 1.052
93 HG3 PRO 13 HG3 PRO 13 -2.197 -13.332 1.700
94 HD2 PRO 13 HD2 PRO 13 -2.081 -11.268 -0.008
95 HD3 PRO 13 HD3 PRO 13 -3.191 -11.169 1.381
96 H GLY 14 H GLY 14 0.735 -9.004 4.110
97 HA2 GLY 14 HA2 GLY 14 3.121 -9.184 4.542
98 HA3 GLY 14 HA3 GLY 14 3.361 -9.673 2.865
99 H TRP 15 H TRP 15 1.313 -7.644 1.875
100 HA TRP 15 HA TRP 15 3.191 -5.415 1.768
101 HB2 TRP 15 HB2 TRP 15 0.667 -6.081 0.272
102 HB3 TRP 15 HB3 TRP 15 1.545 -4.572 0.082
103 HD1 TRP 15 HD1 TRP 15 1.950 -8.333 -0.662
104 HE1 TRP 15 HE1 TRP 15 3.818 -8.629 -2.399
105 HE3 TRP 15 HE3 TRP 15 3.790 -3.591 -0.684
106 HZ2 TRP 15 HZ2 TRP 15 5.601 -6.960 -3.865
107 HZ3 TRP 15 HZ3 TRP 15 5.562 -2.936 -2.296
108 HH2 TRP 15 HH2 TRP 15 6.495 -4.616 -3.899
109 H GLU 16 H GLU 16 2.739 -3.398 2.421
110 HA GLU 16 HA GLU 16 0.305 -2.813 4.033
111 HB2 GLU 16 HB2 GLU 16 3.255 -2.609 4.726
112 HB3 GLU 16 HB3 GLU 16 2.110 -1.461 5.420
113 HG2 GLU 16 HG2 GLU 16 1.468 -4.412 5.640
114 HG3 GLU 16 HG3 GLU 16 2.718 -3.711 6.675
115 H LYS 17 H LYS 17 -0.602 -0.935 3.327
116 HA LYS 17 HA LYS 17 0.822 0.764 1.407
117 HB2 LYS 17 HB2 LYS 17 -1.555 0.141 1.158
118 HB3 LYS 17 HB3 LYS 17 -1.937 0.948 2.684
119 HG2 LYS 17 HG2 LYS 17 -1.226 3.137 1.676
120 HG3 LYS 17 HG3 LYS 17 -0.775 2.288 0.197
121 HD2 LYS 17 HD2 LYS 17 -2.855 3.017 -0.415
122 HD3 LYS 17 HD3 LYS 17 -3.295 1.440 0.248
123 HE2 LYS 17 HE2 LYS 17 -3.630 2.742 2.505
124 HE3 LYS 17 HE3 LYS 17 -3.602 4.198 1.487
125 HZ1 LYS 17 HZ1 LYS 17 -5.474 3.211 0.228
126 HZ2 LYS 17 HZ2 LYS 17 -5.854 3.413 1.817
127 HZ3 LYS 17 HZ3 LYS 17 -5.494 1.928 1.235
128 H ARG 18 H ARG 18 2.218 2.327 2.131
129 HA ARG 18 HA ARG 18 1.501 3.796 4.649
130 HB2 ARG 18 HB2 ARG 18 4.255 3.058 3.616
131 HB3 ARG 18 HB3 ARG 18 3.942 3.947 5.080
132 HG2 ARG 18 HG2 ARG 18 2.876 1.103 4.739
133 HG3 ARG 18 HG3 ARG 18 4.510 1.434 5.269
134 HD2 ARG 18 HD2 ARG 18 3.780 2.639 7.189
135 HD3 ARG 18 HD3 ARG 18 2.096 2.681 6.626
136 HE ARG 18 HE ARG 18 2.264 0.105 6.819
137 HH11 ARG 18 HH11 ARG 18 3.653 2.393 9.158
138 HH12 ARG 18 HH12 ARG 18 3.608 1.265 10.474
139 HH21 ARG 18 HH21 ARG 18 2.059 -1.320 8.624
140 HH22 ARG 18 HH22 ARG 18 2.798 -0.942 10.100
141 H MET 19 H MET 19 3.036 5.876 4.601
142 HA MET 19 HA MET 19 2.981 7.135 1.945
143 HB2 MET 19 HB2 MET 19 0.964 7.939 3.041
144 HB3 MET 19 HB3 MET 19 1.880 8.342 4.515
145 HG2 MET 19 HG2 MET 19 3.210 9.965 3.274
146 HG3 MET 19 HG3 MET 19 2.391 9.548 1.771
147 HE1 MET 19 HE1 MET 19 0.344 10.522 0.912
148 HE2 MET 19 HE2 MET 19 -0.722 9.777 2.139
149 HE3 MET 19 HE3 MET 19 -0.828 11.511 1.791
150 H GLU 20 H GLU 20 4.835 8.154 1.543
151 HA GLU 20 HA GLU 20 7.056 7.798 3.294
152 HB2 GLU 20 HB2 GLU 20 6.630 8.966 0.635
153 HB3 GLU 20 HB3 GLU 20 7.933 9.749 1.533
154 HG2 GLU 20 HG2 GLU 20 7.717 6.800 1.055
155 HG3 GLU 20 HG3 GLU 20 8.717 7.912 0.098
156 H ARG 21 H ARG 21 7.774 9.030 4.985
157 HA ARG 21 HA ARG 21 6.428 11.544 5.575
158 HB2 ARG 21 HB2 ARG 21 7.817 11.606 7.555
159 HB3 ARG 21 HB3 ARG 21 7.259 9.953 7.310
160 HG2 ARG 21 HG2 ARG 21 9.574 9.761 5.965
161 HG3 ARG 21 HG3 ARG 21 10.027 11.122 6.988
162 HD2 ARG 21 HD2 ARG 21 9.576 9.784 8.992
163 HD3 ARG 21 HD3 ARG 21 8.939 8.456 8.005
164 HE ARG 21 HE ARG 21 11.250 8.541 6.862
165 HH11 ARG 21 HH11 ARG 21 10.759 8.754 10.412
166 HH12 ARG 21 HH12 ARG 21 12.461 8.646 10.737
167 HH21 ARG 21 HH21 ARG 21 13.413 8.027 7.397
168 HH22 ARG 21 HH22 ARG 21 13.971 8.141 9.015
169 H SER 22 H SER 22 8.927 10.819 3.362
170 HA SER 22 HA SER 22 10.594 13.122 3.664
171 HB2 SER 22 HB2 SER 22 10.058 11.304 1.271
172 HB3 SER 22 HB3 SER 22 11.422 12.431 1.439
173 HG SER 22 HG SER 22 12.148 11.271 3.183
174 H SER 23 H SER 23 7.794 12.388 1.496
175 HA SER 23 HA SER 23 7.402 15.296 1.170
176 HB2 SER 23 HB2 SER 23 7.589 13.359 -1.158
177 HB3 SER 23 HB3 SER 23 6.940 14.979 -1.258
178 HG SER 23 HG SER 23 8.952 15.786 -0.560
179 H GLY 24 H GLY 24 6.018 12.071 1.594
180 HA2 GLY 24 HA2 GLY 24 3.871 11.830 2.441
181 HA3 GLY 24 HA3 GLY 24 3.365 13.365 1.753
182 H ARG 25 H ARG 25 4.921 10.332 0.334
183 HA ARG 25 HA ARG 25 2.757 10.450 -1.733
184 HB2 ARG 25 HB2 ARG 25 5.250 10.886 -2.366
185 HB3 ARG 25 HB3 ARG 25 5.474 9.171 -2.079
186 HG2 ARG 25 HG2 ARG 25 5.066 9.304 -4.354
187 HG3 ARG 25 HG3 ARG 25 3.466 8.834 -3.731
188 HD2 ARG 25 HD2 ARG 25 2.552 10.956 -4.180
189 HD3 ARG 25 HD3 ARG 25 4.113 11.770 -4.015
190 HE ARG 25 HE ARG 25 4.007 9.936 -6.260
191 HH11 ARG 25 HH11 ARG 25 3.537 13.344 -5.250
192 HH12 ARG 25 HH12 ARG 25 3.895 13.951 -6.829
193 HH21 ARG 25 HH21 ARG 25 4.309 10.840 -8.368
194 HH22 ARG 25 HH22 ARG 25 4.394 12.563 -8.541
195 H VAL 26 H VAL 26 1.482 8.705 -1.831
196 HA VAL 26 HA VAL 26 1.786 6.664 0.233
197 HB VAL 26 HB VAL 26 -0.338 6.819 -1.924
198 HG11 VAL 26 HG11 VAL 26 -1.677 5.457 -0.350
199 HG12 VAL 26 HG12 VAL 26 -0.207 4.603 -0.814
200 HG13 VAL 26 HG13 VAL 26 -0.298 5.389 0.774
201 HG21 VAL 26 HG21 VAL 26 -0.414 8.884 -0.663
202 HG22 VAL 26 HG22 VAL 26 -1.758 7.849 -0.167
203 HG23 VAL 26 HG23 VAL 26 -0.330 7.971 0.873
204 H TYR 27 H TYR 27 2.340 4.534 -0.058
205 HA TYR 27 HA TYR 27 2.842 3.441 -2.727
206 HB2 TYR 27 HB2 TYR 27 5.163 3.046 -2.378
207 HB3 TYR 27 HB3 TYR 27 4.906 4.745 -2.088
208 HD1 TYR 27 HD2 TYR 27 4.527 5.436 0.507
209 HD2 TYR 27 HD1 TYR 27 6.399 1.804 -0.842
210 HE1 TYR 27 HE2 TYR 27 5.743 5.286 2.646
211 HE2 TYR 27 HE1 TYR 27 7.536 1.555 1.320
212 HH TYR 27 HH TYR 27 8.191 2.779 3.258
213 H TYR 28 H TYR 28 4.010 1.117 -2.187
214 HA TYR 28 HA TYR 28 2.520 -0.100 0.079
215 HB2 TYR 28 HB2 TYR 28 3.164 -1.371 -2.603
216 HB3 TYR 28 HB3 TYR 28 2.249 -2.073 -1.289
217 HD1 TYR 28 HD1 TYR 28 0.285 -0.172 -0.467
218 HD2 TYR 28 HD2 TYR 28 1.828 -0.818 -4.418
219 HE1 TYR 28 HE1 TYR 28 -1.780 0.750 -1.383
220 HE2 TYR 28 HE2 TYR 28 -0.274 0.055 -5.386
221 HH TYR 28 HH TYR 28 -3.147 0.694 -3.696
222 H PHE 29 H PHE 29 3.722 -1.558 1.302
223 HA PHE 29 HA PHE 29 6.599 -1.951 0.610
224 HB2 PHE 29 HB2 PHE 29 6.355 -0.130 2.243
225 HB3 PHE 29 HB3 PHE 29 5.384 -1.170 3.282
226 HD1 PHE 29 HD2 PHE 29 6.419 -3.143 4.414
227 HD2 PHE 29 HD1 PHE 29 8.766 -0.391 2.069
228 HE1 PHE 29 HE2 PHE 29 8.502 -3.989 5.473
229 HE2 PHE 29 HE1 PHE 29 10.834 -1.260 3.130
230 HZ PHE 29 HZ PHE 29 10.665 -2.997 4.898
231 H ASN 30 H ASN 30 7.144 -4.008 0.729
232 HA ASN 30 HA ASN 30 5.194 -6.003 1.830
233 HB2 ASN 30 HB2 ASN 30 6.150 -6.229 -0.471
234 HB3 ASN 30 HB3 ASN 30 7.697 -6.618 0.247
235 HD21 ASN 30 HD21 ASN 30 6.920 -8.583 -1.319
236 HD22 ASN 30 HD22 ASN 30 6.142 -9.877 -0.444
237 H HIS 31 H HIS 31 5.567 -6.164 4.095
238 HA HIS 31 HA HIS 31 8.257 -5.960 5.151
239 HB2 HIS 31 HB2 HIS 31 7.310 -6.367 7.276
240 HB3 HIS 31 HB3 HIS 31 6.168 -5.342 6.411
241 HD1 HIS 31 HD1 HIS 31 6.604 -8.999 7.588
242 HD2 HIS 31 HD2 HIS 31 3.698 -6.338 6.064
243 HE1 HIS 31 HE1 HIS 31 4.377 -10.218 7.698
244 H ILE 32 H ILE 32 6.680 -8.546 3.605
245 HA ILE 32 HA ILE 32 7.886 -10.723 5.056
246 HB ILE 32 HB ILE 32 6.795 -10.463 2.255
247 HG12 ILE 32 HG12 ILE 32 5.833 -11.753 4.877
248 HG13 ILE 32 HG13 ILE 32 5.182 -10.305 4.130
249 HG21 ILE 32 HG21 ILE 32 8.445 -12.218 2.077
250 HG22 ILE 32 HG22 ILE 32 7.815 -13.022 3.544
251 HG23 ILE 32 HG23 ILE 32 6.854 -12.932 2.050
252 HD11 ILE 32 HD11 ILE 32 3.624 -12.057 3.740
253 HD12 ILE 32 HD12 ILE 32 4.427 -11.763 2.180
254 HD13 ILE 32 HD13 ILE 32 4.875 -13.169 3.173
255 H THR 33 H THR 33 8.936 -8.713 2.286
256 HA THR 33 HA THR 33 11.643 -9.964 2.671
257 HB THR 33 HB THR 33 10.471 -10.874 0.713
258 HG1 THR 33 HG1 THR 33 12.798 -10.595 0.920
259 HG21 THR 33 HG21 THR 33 10.263 -9.557 -1.328
260 HG22 THR 33 HG22 THR 33 10.821 -8.110 -0.462
261 HG23 THR 33 HG23 THR 33 9.257 -8.858 -0.051
262 H ASN 34 H ASN 34 9.989 -7.190 3.131
263 HA ASN 34 HA ASN 34 10.577 -5.116 3.662
264 HB2 ASN 34 HB2 ASN 34 12.659 -6.336 4.622
265 HB3 ASN 34 HB3 ASN 34 13.506 -5.692 3.217
266 HD21 ASN 34 HD21 ASN 34 13.189 -3.174 2.960
267 HD22 ASN 34 HD22 ASN 34 13.354 -2.264 4.461
268 H ALA 35 H ALA 35 9.834 -5.898 1.061
269 HA ALA 35 HA ALA 35 11.389 -4.207 -0.838
270 HB1 ALA 35 HB1 ALA 35 9.822 -5.241 -2.544
271 HB2 ALA 35 HB2 ALA 35 10.891 -6.383 -1.732
272 HB3 ALA 35 HB3 ALA 35 9.175 -6.271 -1.261
273 H SER 36 H SER 36 9.724 -3.007 -2.437
274 HA SER 36 HA SER 36 7.337 -2.046 -1.301
275 HB2 SER 36 HB2 SER 36 7.939 0.164 -0.783
276 HB3 SER 36 HB3 SER 36 9.211 -0.857 -0.127
277 HG SER 36 HG SER 36 10.594 -0.218 -1.840
278 H GLN 37 H GLN 37 6.089 -0.895 -2.851
279 HA GLN 37 HA GLN 37 7.281 -0.159 -5.309
280 HB2 GLN 37 HB2 GLN 37 5.491 -2.634 -5.116
281 HB3 GLN 37 HB3 GLN 37 5.442 -1.652 -6.574
282 HG2 GLN 37 HG2 GLN 37 7.966 -1.986 -6.770
283 HG3 GLN 37 HG3 GLN 37 7.796 -3.227 -5.516
284 HE21 GLN 37 HE21 GLN 37 6.684 -2.310 -8.821
285 HE22 GLN 37 HE22 GLN 37 6.408 -3.966 -9.314
286 H TRP 38 H TRP 38 5.388 0.657 -6.788
287 HA TRP 38 HA TRP 38 3.411 2.091 -5.113
288 HB2 TRP 38 HB2 TRP 38 4.171 2.767 -7.951
289 HB3 TRP 38 HB3 TRP 38 3.450 3.794 -6.722
290 HD1 TRP 38 HD1 TRP 38 6.806 2.181 -7.678
291 HE1 TRP 38 HE1 TRP 38 8.726 3.351 -6.485
292 HE3 TRP 38 HE3 TRP 38 4.090 5.535 -4.906
293 HZ2 TRP 38 HZ2 TRP 38 9.067 5.471 -4.538
294 HZ3 TRP 38 HZ3 TRP 38 5.245 7.100 -3.413
295 HH2 TRP 38 HH2 TRP 38 7.715 7.085 -3.188
296 H GLU 39 H GLU 39 3.661 -0.276 -7.721
297 HA GLU 39 HA GLU 39 0.908 0.059 -8.604
298 HB2 GLU 39 HB2 GLU 39 1.408 -1.795 -10.100
299 HB3 GLU 39 HB3 GLU 39 2.695 -0.593 -10.165
300 HG2 GLU 39 HG2 GLU 39 4.010 -2.042 -8.523
301 HG3 GLU 39 HG3 GLU 39 2.764 -3.282 -8.735
302 H ARG 40 H ARG 40 -0.783 -1.512 -8.278
303 HA ARG 40 HA ARG 40 -0.923 -2.476 -5.643
304 HB2 ARG 40 HB2 ARG 40 -2.623 -2.875 -8.087
305 HB3 ARG 40 HB3 ARG 40 -2.901 -3.875 -6.660
306 HG2 ARG 40 HG2 ARG 40 -3.242 -1.959 -5.232
307 HG3 ARG 40 HG3 ARG 40 -2.745 -0.836 -6.499
308 HD2 ARG 40 HD2 ARG 40 -5.211 -0.885 -6.259
309 HD3 ARG 40 HD3 ARG 40 -4.708 -1.436 -7.852
310 HE ARG 40 HE ARG 40 -5.549 -3.531 -7.398
311 HH11 ARG 40 HH11 ARG 40 -5.490 -1.743 -4.278
312 HH12 ARG 40 HH12 ARG 40 -6.401 -3.017 -3.495
313 HH21 ARG 40 HH21 ARG 40 -6.646 -5.079 -6.334
314 HH22 ARG 40 HH22 ARG 40 -7.057 -4.971 -4.662
315 HA PRO 41 HA PRO 41 1.449 -6.252 -6.422
316 HB2 PRO 41 HB2 PRO 41 1.797 -7.010 -3.828
317 HB3 PRO 41 HB3 PRO 41 2.697 -5.649 -4.558
318 HG2 PRO 41 HG2 PRO 41 0.231 -5.563 -2.817
319 HG3 PRO 41 HG3 PRO 41 1.688 -4.537 -2.696
320 HD2 PRO 41 HD2 PRO 41 -0.623 -3.758 -3.958
321 HD3 PRO 41 HD3 PRO 41 1.006 -3.187 -4.417
322 H SER 42 H SER 42 1.118 -8.604 -5.526
323 HA SER 42 HA SER 42 -1.553 -9.229 -4.596
324 HB2 SER 42 HB2 SER 42 -1.381 -8.957 -7.317
325 HB3 SER 42 HB3 SER 42 -0.928 -10.654 -7.140
326 HG SER 42 HG SER 42 -3.278 -9.290 -6.367
327 H GLY 43 H GLY 43 -1.190 -10.730 -3.131
328 HA2 GLY 43 HA2 GLY 43 1.284 -12.353 -3.053
329 HA3 GLY 43 HA3 GLY 43 0.082 -12.112 -1.745
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -15.393 7.587 1.546
2 HA2 GLY 1 HA2 GLY 1 -14.259 9.152 3.065
3 HA3 GLY 1 HA3 GLY 1 -15.785 10.058 3.143
4 H LEU 2 H LEU 2 -17.169 9.541 4.831
5 HA LEU 2 HA LEU 2 -16.523 7.355 6.622
6 HB2 LEU 2 HB2 LEU 2 -18.741 9.417 6.379
7 HB3 LEU 2 HB3 LEU 2 -19.003 8.026 7.402
8 HG LEU 2 HG LEU 2 -18.283 9.919 8.697
9 HD11 LEU 2 HD11 LEU 2 -17.669 7.582 9.383
10 HD12 LEU 2 HD12 LEU 2 -16.627 8.852 10.052
11 HD13 LEU 2 HD13 LEU 2 -16.053 7.846 8.707
12 HD21 LEU 2 HD21 LEU 2 -16.853 11.028 6.986
13 HD22 LEU 2 HD22 LEU 2 -15.607 9.790 7.247
14 HD23 LEU 2 HD23 LEU 2 -16.073 10.887 8.569
15 H GLU 3 H GLU 3 -18.332 7.624 3.717
16 HA GLU 3 HA GLU 3 -19.371 4.887 3.916
17 HB2 GLU 3 HB2 GLU 3 -20.896 7.205 2.680
18 HB3 GLU 3 HB3 GLU 3 -21.442 5.559 2.922
19 HG2 GLU 3 HG2 GLU 3 -22.624 6.688 4.545
20 HG3 GLU 3 HG3 GLU 3 -21.264 6.058 5.477
21 H HIS 4 H HIS 4 -20.275 4.722 1.289
22 HA HIS 4 HA HIS 4 -19.573 4.319 -0.776
23 HB2 HIS 4 HB2 HIS 4 -20.008 6.832 -0.766
24 HB3 HIS 4 HB3 HIS 4 -18.263 7.061 -0.695
25 HD1 HIS 4 HD1 HIS 4 -18.084 8.139 -3.166
26 HD2 HIS 4 HD2 HIS 4 -19.935 4.371 -2.935
27 HE1 HIS 4 HE1 HIS 4 -18.675 7.483 -5.540
28 H MET 5 H MET 5 -17.953 3.233 1.206
29 HA MET 5 HA MET 5 -15.135 3.551 0.422
30 HB2 MET 5 HB2 MET 5 -16.356 1.527 2.337
31 HB3 MET 5 HB3 MET 5 -14.679 2.100 2.274
32 HG2 MET 5 HG2 MET 5 -15.498 4.375 3.001
33 HG3 MET 5 HG3 MET 5 -17.126 3.706 3.123
34 HE1 MET 5 HE1 MET 5 -14.041 4.604 5.015
35 HE2 MET 5 HE2 MET 5 -13.712 3.244 6.110
36 HE3 MET 5 HE3 MET 5 -13.439 3.061 4.362
37 H ALA 6 H ALA 6 -13.873 1.521 -0.103
38 HA ALA 6 HA ALA 6 -15.374 -0.684 -1.324
39 HB1 ALA 6 HB1 ALA 6 -14.169 -0.497 -3.456
40 HB2 ALA 6 HB2 ALA 6 -15.109 0.979 -3.174
41 HB3 ALA 6 HB3 ALA 6 -13.359 0.985 -2.903
42 H ASP 7 H ASP 7 -13.978 -2.538 -1.683
43 HA ASP 7 HA ASP 7 -11.658 -2.628 0.166
44 HB2 ASP 7 HB2 ASP 7 -11.886 -5.036 -0.006
45 HB3 ASP 7 HB3 ASP 7 -13.414 -4.324 0.483
46 H GLU 8 H GLU 8 -12.312 -2.227 -3.115
47 HA GLU 8 HA GLU 8 -10.461 -3.825 -4.453
48 HB2 GLU 8 HB2 GLU 8 -10.830 -2.283 -6.263
49 HB3 GLU 8 HB3 GLU 8 -12.325 -2.566 -5.418
50 HG2 GLU 8 HG2 GLU 8 -12.447 -0.283 -5.741
51 HG3 GLU 8 HG3 GLU 8 -11.812 -0.368 -4.105
52 H GLU 9 H GLU 9 -9.913 -1.234 -2.376
53 HA GLU 9 HA GLU 9 -7.275 -0.451 -3.301
54 HB2 GLU 9 HB2 GLU 9 -9.379 0.878 -2.223
55 HB3 GLU 9 HB3 GLU 9 -8.566 0.479 -0.732
56 HG2 GLU 9 HG2 GLU 9 -6.542 1.557 -1.555
57 HG3 GLU 9 HG3 GLU 9 -7.313 1.959 -3.087
58 H LYS 10 H LYS 10 -8.405 -3.027 -1.455
59 HA LYS 10 HA LYS 10 -6.510 -2.949 0.742
60 HB2 LYS 10 HB2 LYS 10 -8.463 -5.103 -0.136
61 HB3 LYS 10 HB3 LYS 10 -7.497 -5.188 1.314
62 HG2 LYS 10 HG2 LYS 10 -9.390 -2.846 0.890
63 HG3 LYS 10 HG3 LYS 10 -9.970 -4.403 1.427
64 HD2 LYS 10 HD2 LYS 10 -9.631 -3.092 3.371
65 HD3 LYS 10 HD3 LYS 10 -8.360 -4.320 3.359
66 HE2 LYS 10 HE2 LYS 10 -6.729 -2.686 2.565
67 HE3 LYS 10 HE3 LYS 10 -8.016 -1.472 2.334
68 HZ1 LYS 10 HZ1 LYS 10 -7.044 -0.949 4.337
69 HZ2 LYS 10 HZ2 LYS 10 -6.903 -2.512 4.856
70 HZ3 LYS 10 HZ3 LYS 10 -8.368 -1.768 4.813
71 H LEU 11 H LEU 11 -4.462 -3.076 0.135
72 HA LEU 11 HA LEU 11 -3.328 -4.702 -1.752
73 HB2 LEU 11 HB2 LEU 11 -2.368 -3.445 0.840
74 HB3 LEU 11 HB3 LEU 11 -1.274 -4.511 0.013
75 HG LEU 11 HG LEU 11 -0.893 -2.162 -0.531
76 HD11 LEU 11 HD11 LEU 11 -1.811 -3.823 -2.918
77 HD12 LEU 11 HD12 LEU 11 -0.194 -3.760 -2.161
78 HD13 LEU 11 HD13 LEU 11 -0.841 -2.372 -3.029
79 HD21 LEU 11 HD21 LEU 11 -3.581 -2.179 -1.945
80 HD22 LEU 11 HD22 LEU 11 -2.446 -0.867 -1.883
81 HD23 LEU 11 HD23 LEU 11 -3.256 -1.364 -0.395
82 HA PRO 12 HA PRO 12 -3.316 -8.867 -0.442
83 HB2 PRO 12 HB2 PRO 12 -0.668 -9.615 -1.019
84 HB3 PRO 12 HB3 PRO 12 -2.056 -9.608 -2.169
85 HG2 PRO 12 HG2 PRO 12 0.173 -7.660 -1.815
86 HG3 PRO 12 HG3 PRO 12 -0.716 -8.081 -3.305
87 HD2 PRO 12 HD2 PRO 12 -1.108 -5.799 -1.818
88 HD3 PRO 12 HD3 PRO 12 -2.372 -6.523 -2.834
89 HA PRO 13 HA PRO 13 -1.674 -9.494 3.554
90 HB2 PRO 13 HB2 PRO 13 -0.833 -12.140 3.635
91 HB3 PRO 13 HB3 PRO 13 -2.540 -11.611 3.687
92 HG2 PRO 13 HG2 PRO 13 -0.937 -12.492 1.262
93 HG3 PRO 13 HG3 PRO 13 -2.572 -13.017 1.766
94 HD2 PRO 13 HD2 PRO 13 -2.256 -11.082 -0.087
95 HD3 PRO 13 HD3 PRO 13 -3.525 -10.900 1.138
96 H GLY 14 H GLY 14 0.076 -8.680 4.341
97 HA2 GLY 14 HA2 GLY 14 2.377 -8.716 4.954
98 HA3 GLY 14 HA3 GLY 14 2.789 -9.413 3.381
99 H TRP 15 H TRP 15 0.951 -7.509 1.904
100 HA TRP 15 HA TRP 15 2.909 -5.357 1.796
101 HB2 TRP 15 HB2 TRP 15 0.602 -6.082 -0.002
102 HB3 TRP 15 HB3 TRP 15 1.591 -4.660 -0.204
103 HD1 TRP 15 HD1 TRP 15 1.886 -8.480 -0.517
104 HE1 TRP 15 HE1 TRP 15 3.935 -9.041 -1.909
105 HE3 TRP 15 HE3 TRP 15 3.918 -3.843 -0.688
106 HZ2 TRP 15 HZ2 TRP 15 6.177 -7.531 -3.164
107 HZ3 TRP 15 HZ3 TRP 15 5.982 -3.392 -2.025
108 HH2 TRP 15 HH2 TRP 15 7.115 -5.248 -3.243
109 H GLU 16 H GLU 16 2.462 -3.287 2.209
110 HA GLU 16 HA GLU 16 -0.216 -2.492 3.244
111 HB2 GLU 16 HB2 GLU 16 2.545 -2.429 4.490
112 HB3 GLU 16 HB3 GLU 16 1.428 -1.090 4.810
113 HG2 GLU 16 HG2 GLU 16 0.525 -3.962 5.229
114 HG3 GLU 16 HG3 GLU 16 1.436 -3.095 6.471
115 H LYS 17 H LYS 17 -0.913 -0.671 2.287
116 HA LYS 17 HA LYS 17 0.907 0.803 0.531
117 HB2 LYS 17 HB2 LYS 17 -1.448 0.387 -0.044
118 HB3 LYS 17 HB3 LYS 17 -1.968 1.363 1.353
119 HG2 LYS 17 HG2 LYS 17 -0.878 3.368 0.364
120 HG3 LYS 17 HG3 LYS 17 -0.168 2.366 -0.911
121 HD2 LYS 17 HD2 LYS 17 -1.969 3.360 -1.996
122 HD3 LYS 17 HD3 LYS 17 -2.564 1.756 -1.579
123 HE2 LYS 17 HE2 LYS 17 -3.603 2.813 0.501
124 HE3 LYS 17 HE3 LYS 17 -3.203 4.390 -0.222
125 HZ1 LYS 17 HZ1 LYS 17 -4.792 2.300 -1.597
126 HZ2 LYS 17 HZ2 LYS 17 -4.577 3.824 -2.111
127 HZ3 LYS 17 HZ3 LYS 17 -5.483 3.541 -0.783
128 H ARG 18 H ARG 18 2.124 2.423 1.196
129 HA ARG 18 HA ARG 18 1.504 3.859 3.742
130 HB2 ARG 18 HB2 ARG 18 4.171 2.950 2.617
131 HB3 ARG 18 HB3 ARG 18 4.032 3.960 4.040
132 HG2 ARG 18 HG2 ARG 18 2.676 1.260 4.092
133 HG3 ARG 18 HG3 ARG 18 4.432 1.319 4.157
134 HD2 ARG 18 HD2 ARG 18 4.434 2.678 6.138
135 HD3 ARG 18 HD3 ARG 18 2.695 2.936 6.054
136 HE ARG 18 HE ARG 18 4.128 0.502 6.920
137 HH11 ARG 18 HH11 ARG 18 0.962 2.064 6.353
138 HH12 ARG 18 HH12 ARG 18 0.086 0.753 7.107
139 HH21 ARG 18 HH21 ARG 18 2.898 -1.174 7.941
140 HH22 ARG 18 HH22 ARG 18 1.149 -1.113 7.805
141 H MET 19 H MET 19 3.085 5.906 3.696
142 HA MET 19 HA MET 19 3.216 7.053 1.026
143 HB2 MET 19 HB2 MET 19 1.053 7.885 2.036
144 HB3 MET 19 HB3 MET 19 2.020 8.611 3.351
145 HG2 MET 19 HG2 MET 19 3.403 9.743 1.557
146 HG3 MET 19 HG3 MET 19 2.259 9.159 0.355
147 HE1 MET 19 HE1 MET 19 -0.862 11.362 0.983
148 HE2 MET 19 HE2 MET 19 -0.053 10.265 -0.148
149 HE3 MET 19 HE3 MET 19 -0.572 9.674 1.453
150 H GLU 20 H GLU 20 5.127 8.052 0.802
151 HA GLU 20 HA GLU 20 7.165 7.687 2.788
152 HB2 GLU 20 HB2 GLU 20 7.158 9.485 0.313
153 HB3 GLU 20 HB3 GLU 20 8.579 8.992 1.262
154 HG2 GLU 20 HG2 GLU 20 7.850 6.575 0.772
155 HG3 GLU 20 HG3 GLU 20 6.784 7.239 -0.460
156 H ARG 21 H ARG 21 7.673 9.014 4.508
157 HA ARG 21 HA ARG 21 6.144 11.521 4.860
158 HB2 ARG 21 HB2 ARG 21 8.237 10.092 6.521
159 HB3 ARG 21 HB3 ARG 21 7.690 11.726 6.922
160 HG2 ARG 21 HG2 ARG 21 5.416 11.064 7.189
161 HG3 ARG 21 HG3 ARG 21 5.699 9.455 6.509
162 HD2 ARG 21 HD2 ARG 21 6.980 10.467 9.082
163 HD3 ARG 21 HD3 ARG 21 5.485 9.515 8.990
164 HE ARG 21 HE ARG 21 7.619 8.250 7.532
165 HH11 ARG 21 HH11 ARG 21 6.177 8.581 10.769
166 HH12 ARG 21 HH12 ARG 21 6.781 7.073 11.322
167 HH21 ARG 21 HH21 ARG 21 8.393 6.191 8.305
168 HH22 ARG 21 HH22 ARG 21 7.971 5.725 9.940
169 H SER 22 H SER 22 9.315 10.572 3.680
170 HA SER 22 HA SER 22 10.588 13.069 3.917
171 HB2 SER 22 HB2 SER 22 11.076 10.810 1.921
172 HB3 SER 22 HB3 SER 22 12.239 12.035 2.449
173 HG SER 22 HG SER 22 12.729 10.576 3.824
174 H SER 23 H SER 23 8.448 11.805 1.357
175 HA SER 23 HA SER 23 8.728 14.425 -0.054
176 HB2 SER 23 HB2 SER 23 8.633 11.673 -1.347
177 HB3 SER 23 HB3 SER 23 8.760 13.229 -2.189
178 HG SER 23 HG SER 23 10.782 13.538 -1.014
179 H GLY 24 H GLY 24 6.534 11.907 1.076
180 HA2 GLY 24 HA2 GLY 24 4.252 11.962 1.136
181 HA3 GLY 24 HA3 GLY 24 4.274 13.526 0.308
182 H ARG 25 H ARG 25 4.995 10.030 -0.257
183 HA ARG 25 HA ARG 25 3.685 10.247 -2.880
184 HB2 ARG 25 HB2 ARG 25 6.349 10.457 -2.908
185 HB3 ARG 25 HB3 ARG 25 6.302 8.731 -2.551
186 HG2 ARG 25 HG2 ARG 25 6.404 8.854 -4.918
187 HG3 ARG 25 HG3 ARG 25 4.700 8.458 -4.560
188 HD2 ARG 25 HD2 ARG 25 4.019 10.741 -4.949
189 HD3 ARG 25 HD3 ARG 25 5.715 11.273 -5.007
190 HE ARG 25 HE ARG 25 5.241 9.301 -7.006
191 HH11 ARG 25 HH11 ARG 25 4.482 12.726 -6.261
192 HH12 ARG 25 HH12 ARG 25 4.531 13.196 -7.939
193 HH21 ARG 25 HH21 ARG 25 5.291 10.050 -9.245
194 HH22 ARG 25 HH22 ARG 25 4.992 11.728 -9.568
195 H VAL 26 H VAL 26 2.363 8.432 -3.176
196 HA VAL 26 HA VAL 26 2.227 6.624 -0.875
197 HB VAL 26 HB VAL 26 0.568 6.695 -3.430
198 HG11 VAL 26 HG11 VAL 26 -1.124 5.510 -2.065
199 HG12 VAL 26 HG12 VAL 26 0.347 4.549 -2.242
200 HG13 VAL 26 HG13 VAL 26 0.030 5.404 -0.713
201 HG21 VAL 26 HG21 VAL 26 0.016 7.922 -0.684
202 HG22 VAL 26 HG22 VAL 26 0.393 8.832 -2.166
203 HG23 VAL 26 HG23 VAL 26 -1.108 7.906 -2.061
204 H TYR 27 H TYR 27 2.701 4.415 -0.941
205 HA TYR 27 HA TYR 27 3.656 3.118 -3.350
206 HB2 TYR 27 HB2 TYR 27 5.900 2.778 -2.707
207 HB3 TYR 27 HB3 TYR 27 5.640 4.489 -2.496
208 HD1 TYR 27 HD2 TYR 27 5.133 5.360 -0.071
209 HD2 TYR 27 HD1 TYR 27 6.830 1.521 -0.990
210 HE1 TYR 27 HE2 TYR 27 5.955 5.170 2.265
211 HE2 TYR 27 HE1 TYR 27 7.615 1.291 1.339
212 HH TYR 27 HH TYR 27 7.482 3.914 3.613
213 H TYR 28 H TYR 28 4.549 0.819 -2.533
214 HA TYR 28 HA TYR 28 2.746 -0.118 -0.340
215 HB2 TYR 28 HB2 TYR 28 3.794 -1.736 -2.682
216 HB3 TYR 28 HB3 TYR 28 2.583 -2.214 -1.496
217 HD1 TYR 28 HD1 TYR 28 0.570 -0.358 -1.297
218 HD2 TYR 28 HD2 TYR 28 2.969 -1.165 -4.778
219 HE1 TYR 28 HE1 TYR 28 -1.213 0.549 -2.706
220 HE2 TYR 28 HE2 TYR 28 1.163 -0.304 -6.224
221 HH TYR 28 HH TYR 28 -0.727 1.058 -6.218
222 H PHE 29 H PHE 29 3.621 -1.551 1.147
223 HA PHE 29 HA PHE 29 6.567 -2.094 0.963
224 HB2 PHE 29 HB2 PHE 29 6.085 -0.133 2.406
225 HB3 PHE 29 HB3 PHE 29 5.030 -1.134 3.393
226 HD1 PHE 29 HD2 PHE 29 5.966 -2.991 4.763
227 HD2 PHE 29 HD1 PHE 29 8.536 -0.426 2.437
228 HE1 PHE 29 HE2 PHE 29 7.955 -3.748 6.074
229 HE2 PHE 29 HE1 PHE 29 10.483 -1.179 3.756
230 HZ PHE 29 HZ PHE 29 10.170 -2.814 5.594
231 H ASN 30 H ASN 30 7.014 -4.165 1.253
232 HA ASN 30 HA ASN 30 4.876 -6.014 2.227
233 HB2 ASN 30 HB2 ASN 30 6.075 -6.394 0.051
234 HB3 ASN 30 HB3 ASN 30 7.502 -6.792 0.974
235 HD21 ASN 30 HD21 ASN 30 6.880 -8.787 -0.580
236 HD22 ASN 30 HD22 ASN 30 6.032 -10.053 0.239
237 H HIS 31 H HIS 31 5.075 -5.735 4.536
238 HA HIS 31 HA HIS 31 7.643 -5.692 5.832
239 HB2 HIS 31 HB2 HIS 31 6.453 -5.899 7.915
240 HB3 HIS 31 HB3 HIS 31 5.604 -4.771 6.867
241 HD1 HIS 31 HD1 HIS 31 5.167 -8.266 8.450
242 HD2 HIS 31 HD2 HIS 31 3.128 -5.436 6.053
243 HE1 HIS 31 HE1 HIS 31 2.726 -8.969 8.384
244 H ILE 32 H ILE 32 6.087 -8.317 4.419
245 HA ILE 32 HA ILE 32 7.057 -10.375 6.223
246 HB ILE 32 HB ILE 32 6.101 -10.308 3.359
247 HG12 ILE 32 HG12 ILE 32 4.958 -11.351 6.012
248 HG13 ILE 32 HG13 ILE 32 4.439 -9.907 5.155
249 HG21 ILE 32 HG21 ILE 32 7.650 -12.154 3.359
250 HG22 ILE 32 HG22 ILE 32 6.928 -12.818 4.852
251 HG23 ILE 32 HG23 ILE 32 6.021 -12.770 3.323
252 HD11 ILE 32 HD11 ILE 32 2.783 -11.544 4.762
253 HD12 ILE 32 HD12 ILE 32 3.714 -11.418 3.250
254 HD13 ILE 32 HD13 ILE 32 3.972 -12.793 4.351
255 H THR 33 H THR 33 8.374 -8.734 3.325
256 HA THR 33 HA THR 33 10.960 -10.170 3.869
257 HB THR 33 HB THR 33 9.741 -11.081 1.926
258 HG1 THR 33 HG1 THR 33 12.187 -9.747 1.375
259 HG21 THR 33 HG21 THR 33 9.415 -9.828 -0.086
260 HG22 THR 33 HG22 THR 33 10.335 -8.455 0.561
261 HG23 THR 33 HG23 THR 33 8.736 -8.856 1.215
262 H ASN 34 H ASN 34 9.501 -7.219 4.037
263 HA ASN 34 HA ASN 34 10.258 -5.167 4.433
264 HB2 ASN 34 HB2 ASN 34 12.426 -6.444 5.277
265 HB3 ASN 34 HB3 ASN 34 13.117 -5.865 3.774
266 HD21 ASN 34 HD21 ASN 34 11.659 -4.977 6.836
267 HD22 ASN 34 HD22 ASN 34 12.249 -3.309 6.902
268 H ALA 35 H ALA 35 9.671 -6.436 1.734
269 HA ALA 35 HA ALA 35 11.246 -4.840 -0.169
270 HB1 ALA 35 HB1 ALA 35 10.573 -6.976 -0.995
271 HB2 ALA 35 HB2 ALA 35 8.866 -6.693 -0.610
272 HB3 ALA 35 HB3 ALA 35 9.673 -5.762 -1.877
273 H SER 36 H SER 36 9.906 -3.525 -1.729
274 HA SER 36 HA SER 36 7.552 -2.299 -0.861
275 HB2 SER 36 HB2 SER 36 8.368 -0.137 -0.319
276 HB3 SER 36 HB3 SER 36 9.371 -1.312 0.518
277 HG SER 36 HG SER 36 10.635 0.310 -0.299
278 H GLN 37 H GLN 37 6.597 -1.233 -2.662
279 HA GLN 37 HA GLN 37 8.234 -0.647 -4.899
280 HB2 GLN 37 HB2 GLN 37 6.492 -3.164 -4.890
281 HB3 GLN 37 HB3 GLN 37 6.514 -2.201 -6.361
282 HG2 GLN 37 HG2 GLN 37 9.123 -2.333 -6.179
283 HG3 GLN 37 HG3 GLN 37 8.808 -3.682 -5.075
284 HE21 GLN 37 HE21 GLN 37 8.725 -5.649 -6.048
285 HE22 GLN 37 HE22 GLN 37 8.348 -5.913 -7.748
286 H TRP 38 H TRP 38 6.781 0.166 -6.755
287 HA TRP 38 HA TRP 38 4.577 1.798 -5.618
288 HB2 TRP 38 HB2 TRP 38 5.905 1.994 -8.337
289 HB3 TRP 38 HB3 TRP 38 4.929 3.212 -7.516
290 HD1 TRP 38 HD1 TRP 38 8.352 1.602 -7.521
291 HE1 TRP 38 HE1 TRP 38 10.040 3.013 -6.138
292 HE3 TRP 38 HE3 TRP 38 5.098 4.955 -5.502
293 HZ2 TRP 38 HZ2 TRP 38 9.941 5.296 -4.378
294 HZ3 TRP 38 HZ3 TRP 38 5.889 6.640 -3.876
295 HH2 TRP 38 HH2 TRP 38 8.306 6.846 -3.342
296 H GLU 39 H GLU 39 5.167 -0.906 -7.703
297 HA GLU 39 HA GLU 39 2.635 -0.695 -9.179
298 HB2 GLU 39 HB2 GLU 39 4.811 -2.841 -9.062
299 HB3 GLU 39 HB3 GLU 39 3.436 -2.854 -10.170
300 HG2 GLU 39 HG2 GLU 39 5.669 -0.774 -10.063
301 HG3 GLU 39 HG3 GLU 39 5.421 -2.041 -11.263
302 H ARG 40 H ARG 40 0.925 -2.168 -8.997
303 HA ARG 40 HA ARG 40 0.206 -2.930 -6.411
304 HB2 ARG 40 HB2 ARG 40 -0.900 -3.506 -9.144
305 HB3 ARG 40 HB3 ARG 40 -1.486 -4.455 -7.771
306 HG2 ARG 40 HG2 ARG 40 -2.116 -2.484 -6.537
307 HG3 ARG 40 HG3 ARG 40 -1.473 -1.424 -7.792
308 HD2 ARG 40 HD2 ARG 40 -3.383 -1.523 -8.945
309 HD3 ARG 40 HD3 ARG 40 -3.317 -3.271 -9.047
310 HE ARG 40 HE ARG 40 -4.838 -1.603 -7.184
311 HH11 ARG 40 HH11 ARG 40 -3.917 -4.950 -8.092
312 HH12 ARG 40 HH12 ARG 40 -5.173 -5.658 -7.140
313 HH21 ARG 40 HH21 ARG 40 -6.587 -2.670 -5.951
314 HH22 ARG 40 HH22 ARG 40 -6.539 -4.371 -5.823
315 HA PRO 41 HA PRO 41 2.689 -6.701 -6.278
316 HB2 PRO 41 HB2 PRO 41 2.217 -7.328 -3.639
317 HB3 PRO 41 HB3 PRO 41 3.382 -6.043 -4.188
318 HG2 PRO 41 HG2 PRO 41 0.568 -5.777 -3.180
319 HG3 PRO 41 HG3 PRO 41 1.969 -4.745 -2.787
320 HD2 PRO 41 HD2 PRO 41 0.038 -4.106 -4.632
321 HD3 PRO 41 HD3 PRO 41 1.728 -3.540 -4.732
322 H SER 42 H SER 42 2.147 -8.939 -4.975
323 HA SER 42 HA SER 42 -0.596 -9.773 -5.153
324 HB2 SER 42 HB2 SER 42 0.248 -11.786 -6.496
325 HB3 SER 42 HB3 SER 42 -0.035 -10.290 -7.392
326 HG SER 42 HG SER 42 2.125 -9.974 -7.588
327 H GLY 43 H GLY 43 -0.900 -11.045 -3.577
328 HA2 GLY 43 HA2 GLY 43 1.080 -12.694 -2.192
329 HA3 GLY 43 HA3 GLY 43 0.310 -11.442 -1.205
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -12.299 11.623 -1.159
2 HA2 GLY 1 HA2 GLY 1 -11.577 10.226 0.716
3 HA3 GLY 1 HA3 GLY 1 -13.266 10.202 1.258
4 H LEU 2 H LEU 2 -14.901 9.304 -0.327
5 HA LEU 2 HA LEU 2 -15.687 7.517 -1.491
6 HB2 LEU 2 HB2 LEU 2 -13.195 7.544 -3.190
7 HB3 LEU 2 HB3 LEU 2 -14.816 7.055 -3.618
8 HG LEU 2 HG LEU 2 -13.827 9.905 -3.198
9 HD11 LEU 2 HD11 LEU 2 -14.109 10.109 -5.625
10 HD12 LEU 2 HD12 LEU 2 -14.641 8.420 -5.736
11 HD13 LEU 2 HD13 LEU 2 -12.978 8.808 -5.247
12 HD21 LEU 2 HD21 LEU 2 -16.049 10.541 -4.179
13 HD22 LEU 2 HD22 LEU 2 -16.159 9.831 -2.562
14 HD23 LEU 2 HD23 LEU 2 -16.574 8.857 -3.993
15 H GLU 3 H GLU 3 -14.244 7.056 0.857
16 HA GLU 3 HA GLU 3 -12.611 4.631 0.453
17 HB2 GLU 3 HB2 GLU 3 -11.798 5.051 2.652
18 HB3 GLU 3 HB3 GLU 3 -11.666 6.524 1.712
19 HG2 GLU 3 HG2 GLU 3 -13.883 5.996 3.761
20 HG3 GLU 3 HG3 GLU 3 -12.375 6.793 4.120
21 H HIS 4 H HIS 4 -15.677 5.675 1.919
22 HA HIS 4 HA HIS 4 -16.061 3.424 3.564
23 HB2 HIS 4 HB2 HIS 4 -17.274 5.705 3.502
24 HB3 HIS 4 HB3 HIS 4 -18.348 4.957 2.327
25 HD1 HIS 4 HD1 HIS 4 -20.419 3.861 3.486
26 HD2 HIS 4 HD2 HIS 4 -16.942 3.929 5.867
27 HE1 HIS 4 HE1 HIS 4 -21.086 2.933 5.767
28 H MET 5 H MET 5 -15.768 3.112 0.352
29 HA MET 5 HA MET 5 -17.372 0.617 0.272
30 HB2 MET 5 HB2 MET 5 -17.311 2.713 -1.949
31 HB3 MET 5 HB3 MET 5 -18.032 1.105 -2.051
32 HG2 MET 5 HG2 MET 5 -19.402 1.839 0.038
33 HG3 MET 5 HG3 MET 5 -18.995 3.476 -0.466
34 HE1 MET 5 HE1 MET 5 -18.978 3.445 -3.543
35 HE2 MET 5 HE2 MET 5 -20.674 3.715 -3.984
36 HE3 MET 5 HE3 MET 5 -19.946 4.627 -2.642
37 H ALA 6 H ALA 6 -14.400 1.801 0.388
38 HA ALA 6 HA ALA 6 -13.165 0.530 -1.940
39 HB1 ALA 6 HB1 ALA 6 -12.380 2.717 -1.070
40 HB2 ALA 6 HB2 ALA 6 -11.954 1.933 0.472
41 HB3 ALA 6 HB3 ALA 6 -11.136 1.471 -1.019
42 H ASP 7 H ASP 7 -13.313 -1.660 -1.804
43 HA ASP 7 HA ASP 7 -12.738 -3.064 0.775
44 HB2 ASP 7 HB2 ASP 7 -14.417 -3.704 -1.627
45 HB3 ASP 7 HB3 ASP 7 -13.461 -5.029 -0.950
46 H GLU 8 H GLU 8 -11.987 -2.990 -2.732
47 HA GLU 8 HA GLU 8 -9.774 -4.721 -2.484
48 HB2 GLU 8 HB2 GLU 8 -9.292 -4.152 -4.729
49 HB3 GLU 8 HB3 GLU 8 -10.996 -4.438 -4.502
50 HG2 GLU 8 HG2 GLU 8 -11.297 -1.898 -4.512
51 HG3 GLU 8 HG3 GLU 8 -9.610 -1.806 -5.048
52 H GLU 9 H GLU 9 -9.979 -1.769 -1.122
53 HA GLU 9 HA GLU 9 -7.309 -0.738 -1.597
54 HB2 GLU 9 HB2 GLU 9 -9.195 0.671 -0.986
55 HB3 GLU 9 HB3 GLU 9 -9.359 -0.156 0.587
56 HG2 GLU 9 HG2 GLU 9 -7.139 0.765 1.250
57 HG3 GLU 9 HG3 GLU 9 -6.942 1.465 -0.357
58 H LYS 10 H LYS 10 -8.638 -3.409 0.237
59 HA LYS 10 HA LYS 10 -6.670 -3.509 2.346
60 HB2 LYS 10 HB2 LYS 10 -8.734 -5.455 1.197
61 HB3 LYS 10 HB3 LYS 10 -7.491 -5.987 2.301
62 HG2 LYS 10 HG2 LYS 10 -8.985 -5.618 3.857
63 HG3 LYS 10 HG3 LYS 10 -8.345 -3.983 3.803
64 HD2 LYS 10 HD2 LYS 10 -10.783 -4.792 2.194
65 HD3 LYS 10 HD3 LYS 10 -10.930 -4.442 3.891
66 HE2 LYS 10 HE2 LYS 10 -9.713 -2.476 1.912
67 HE3 LYS 10 HE3 LYS 10 -11.418 -2.479 2.383
68 HZ1 LYS 10 HZ1 LYS 10 -10.093 -0.924 3.690
69 HZ2 LYS 10 HZ2 LYS 10 -9.175 -2.120 4.289
70 HZ3 LYS 10 HZ3 LYS 10 -10.788 -2.069 4.638
71 H LEU 11 H LEU 11 -4.562 -3.523 1.604
72 HA LEU 11 HA LEU 11 -3.632 -4.747 -0.718
73 HB2 LEU 11 HB2 LEU 11 -2.394 -3.869 1.918
74 HB3 LEU 11 HB3 LEU 11 -1.380 -4.736 0.809
75 HG LEU 11 HG LEU 11 -1.136 -2.308 0.594
76 HD11 LEU 11 HD11 LEU 11 -2.262 -3.721 -1.876
77 HD12 LEU 11 HD12 LEU 11 -0.566 -3.474 -1.386
78 HD13 LEU 11 HD13 LEU 11 -1.581 -2.138 -1.953
79 HD21 LEU 11 HD21 LEU 11 -2.919 -0.903 -0.263
80 HD22 LEU 11 HD22 LEU 11 -3.489 -1.714 1.189
81 HD23 LEU 11 HD23 LEU 11 -3.979 -2.263 -0.441
82 HA PRO 12 HA PRO 12 -3.347 -9.081 0.013
83 HB2 PRO 12 HB2 PRO 12 -0.704 -9.563 -0.924
84 HB3 PRO 12 HB3 PRO 12 -2.209 -9.640 -1.891
85 HG2 PRO 12 HG2 PRO 12 -0.111 -7.568 -1.822
86 HG3 PRO 12 HG3 PRO 12 -1.344 -7.880 -3.066
87 HD2 PRO 12 HD2 PRO 12 -1.357 -5.787 -1.204
88 HD3 PRO 12 HD3 PRO 12 -2.745 -6.349 -2.179
89 HA PRO 13 HA PRO 13 -1.094 -10.011 3.617
90 HB2 PRO 13 HB2 PRO 13 0.023 -12.529 3.248
91 HB3 PRO 13 HB3 PRO 13 -1.708 -12.210 3.583
92 HG2 PRO 13 HG2 PRO 13 -0.405 -12.623 0.894
93 HG3 PRO 13 HG3 PRO 13 -1.915 -13.384 1.533
94 HD2 PRO 13 HD2 PRO 13 -2.018 -11.271 -0.098
95 HD3 PRO 13 HD3 PRO 13 -3.124 -11.349 1.310
96 H GLY 14 H GLY 14 0.734 -9.483 4.380
97 HA2 GLY 14 HA2 GLY 14 3.064 -9.198 4.654
98 HA3 GLY 14 HA3 GLY 14 3.319 -9.684 2.974
99 H TRP 15 H TRP 15 1.205 -7.733 1.980
100 HA TRP 15 HA TRP 15 3.011 -5.452 1.869
101 HB2 TRP 15 HB2 TRP 15 0.446 -6.119 0.428
102 HB3 TRP 15 HB3 TRP 15 1.384 -4.661 0.177
103 HD1 TRP 15 HD1 TRP 15 1.658 -8.471 -0.455
104 HE1 TRP 15 HE1 TRP 15 3.403 -8.840 -2.281
105 HE3 TRP 15 HE3 TRP 15 3.548 -3.756 -0.638
106 HZ2 TRP 15 HZ2 TRP 15 5.382 -7.251 -3.662
107 HZ3 TRP 15 HZ3 TRP 15 5.302 -3.166 -2.274
108 HH2 TRP 15 HH2 TRP 15 6.260 -4.915 -3.775
109 H GLU 16 H GLU 16 2.539 -3.450 2.476
110 HA GLU 16 HA GLU 16 0.096 -2.812 4.062
111 HB2 GLU 16 HB2 GLU 16 3.051 -2.602 4.743
112 HB3 GLU 16 HB3 GLU 16 1.937 -1.394 5.367
113 HG2 GLU 16 HG2 GLU 16 1.111 -4.249 5.751
114 HG3 GLU 16 HG3 GLU 16 2.520 -3.688 6.678
115 H LYS 17 H LYS 17 -0.743 -0.869 3.439
116 HA LYS 17 HA LYS 17 0.675 0.747 1.412
117 HB2 LYS 17 HB2 LYS 17 -1.703 0.216 1.159
118 HB3 LYS 17 HB3 LYS 17 -2.078 1.073 2.654
119 HG2 LYS 17 HG2 LYS 17 -1.137 3.194 1.589
120 HG3 LYS 17 HG3 LYS 17 -0.880 2.270 0.108
121 HD2 LYS 17 HD2 LYS 17 -2.913 3.281 -0.349
122 HD3 LYS 17 HD3 LYS 17 -3.464 1.728 0.299
123 HE2 LYS 17 HE2 LYS 17 -3.506 2.959 2.607
124 HE3 LYS 17 HE3 LYS 17 -3.332 4.450 1.665
125 HZ1 LYS 17 HZ1 LYS 17 -5.386 3.729 0.468
126 HZ2 LYS 17 HZ2 LYS 17 -5.622 4.032 2.069
127 HZ3 LYS 17 HZ3 LYS 17 -5.556 2.502 1.538
128 H ARG 18 H ARG 18 2.114 2.268 2.083
129 HA ARG 18 HA ARG 18 1.454 3.797 4.568
130 HB2 ARG 18 HB2 ARG 18 4.190 3.076 3.514
131 HB3 ARG 18 HB3 ARG 18 3.860 3.842 5.037
132 HG2 ARG 18 HG2 ARG 18 3.007 0.963 4.390
133 HG3 ARG 18 HG3 ARG 18 4.496 1.418 5.173
134 HD2 ARG 18 HD2 ARG 18 3.163 2.645 6.925
135 HD3 ARG 18 HD3 ARG 18 1.686 2.066 6.152
136 HE ARG 18 HE ARG 18 1.938 0.007 7.149
137 HH11 ARG 18 HH11 ARG 18 5.050 1.729 7.443
138 HH12 ARG 18 HH12 ARG 18 5.713 0.583 8.537
139 HH21 ARG 18 HH21 ARG 18 2.807 -1.474 8.565
140 HH22 ARG 18 HH22 ARG 18 4.355 -1.220 9.326
141 H MET 19 H MET 19 2.937 5.788 4.531
142 HA MET 19 HA MET 19 3.004 7.015 1.852
143 HB2 MET 19 HB2 MET 19 0.986 7.846 3.024
144 HB3 MET 19 HB3 MET 19 2.006 8.401 4.376
145 HG2 MET 19 HG2 MET 19 3.253 9.860 2.880
146 HG3 MET 19 HG3 MET 19 2.420 9.197 1.474
147 HE1 MET 19 HE1 MET 19 1.211 10.657 4.973
148 HE2 MET 19 HE2 MET 19 2.371 11.836 4.313
149 HE3 MET 19 HE3 MET 19 0.650 12.252 4.433
150 H GLU 20 H GLU 20 4.866 7.954 1.445
151 HA GLU 20 HA GLU 20 7.161 7.525 3.087
152 HB2 GLU 20 HB2 GLU 20 6.625 9.199 0.654
153 HB3 GLU 20 HB3 GLU 20 8.242 8.970 1.380
154 HG2 GLU 20 HG2 GLU 20 7.659 6.469 1.156
155 HG3 GLU 20 HG3 GLU 20 6.470 6.962 -0.044
156 H ARG 21 H ARG 21 7.594 8.774 5.013
157 HA ARG 21 HA ARG 21 6.201 11.344 5.274
158 HB2 ARG 21 HB2 ARG 21 7.260 11.621 7.370
159 HB3 ARG 21 HB3 ARG 21 6.699 9.952 7.266
160 HG2 ARG 21 HG2 ARG 21 8.998 9.155 6.871
161 HG3 ARG 21 HG3 ARG 21 9.586 10.833 6.768
162 HD2 ARG 21 HD2 ARG 21 10.142 10.182 8.931
163 HD3 ARG 21 HD3 ARG 21 8.729 11.187 9.126
164 HE ARG 21 HE ARG 21 7.356 9.201 9.380
165 HH11 ARG 21 HH11 ARG 21 10.853 8.780 9.906
166 HH12 ARG 21 HH12 ARG 21 10.652 7.567 11.130
167 HH21 ARG 21 HH21 ARG 21 7.154 7.341 10.961
168 HH22 ARG 21 HH22 ARG 21 8.616 6.865 11.743
169 H SER 22 H SER 22 9.042 10.311 3.702
170 HA SER 22 HA SER 22 10.806 12.398 3.794
171 HB2 SER 22 HB2 SER 22 10.093 10.656 1.410
172 HB3 SER 22 HB3 SER 22 11.682 11.322 1.815
173 HG SER 22 HG SER 22 12.002 9.675 3.011
174 H SER 23 H SER 23 8.056 11.924 1.461
175 HA SER 23 HA SER 23 7.994 14.858 1.076
176 HB2 SER 23 HB2 SER 23 7.891 12.938 -1.270
177 HB3 SER 23 HB3 SER 23 7.732 14.654 -1.303
178 HG SER 23 HG SER 23 9.991 13.042 -0.697
179 H GLY 24 H GLY 24 6.260 11.844 1.488
180 HA2 GLY 24 HA2 GLY 24 4.081 11.823 2.272
181 HA3 GLY 24 HA3 GLY 24 3.735 13.373 1.503
182 H ARG 25 H ARG 25 5.182 10.224 0.169
183 HA ARG 25 HA ARG 25 2.976 10.435 -1.828
184 HB2 ARG 25 HB2 ARG 25 5.457 10.772 -2.527
185 HB3 ARG 25 HB3 ARG 25 5.615 9.043 -2.230
186 HG2 ARG 25 HG2 ARG 25 5.083 9.238 -4.558
187 HG3 ARG 25 HG3 ARG 25 3.547 8.767 -3.807
188 HD2 ARG 25 HD2 ARG 25 2.894 11.224 -3.781
189 HD3 ARG 25 HD3 ARG 25 4.414 11.560 -4.618
190 HE ARG 25 HE ARG 25 2.693 9.569 -5.896
191 HH11 ARG 25 HH11 ARG 25 3.427 13.097 -5.718
192 HH12 ARG 25 HH12 ARG 25 2.621 13.419 -7.224
193 HH21 ARG 25 HH21 ARG 25 1.711 10.091 -7.912
194 HH22 ARG 25 HH22 ARG 25 1.721 11.739 -8.473
195 H VAL 26 H VAL 26 1.619 8.795 -1.927
196 HA VAL 26 HA VAL 26 1.780 6.741 0.156
197 HB VAL 26 HB VAL 26 -0.324 6.992 -2.023
198 HG11 VAL 26 HG11 VAL 26 -0.276 5.560 0.692
199 HG12 VAL 26 HG12 VAL 26 -1.702 5.714 -0.362
200 HG13 VAL 26 HG13 VAL 26 -0.304 4.781 -0.901
201 HG21 VAL 26 HG21 VAL 26 -0.246 9.079 -0.685
202 HG22 VAL 26 HG22 VAL 26 -1.670 8.123 -0.252
203 HG23 VAL 26 HG23 VAL 26 -0.254 8.129 0.817
204 H TYR 27 H TYR 27 2.176 4.531 -0.150
205 HA TYR 27 HA TYR 27 2.742 3.450 -2.779
206 HB2 TYR 27 HB2 TYR 27 5.060 3.046 -2.448
207 HB3 TYR 27 HB3 TYR 27 4.828 4.744 -2.111
208 HD1 TYR 27 HD2 TYR 27 4.491 5.412 0.442
209 HD2 TYR 27 HD1 TYR 27 6.321 1.782 -0.947
210 HE1 TYR 27 HE2 TYR 27 5.623 5.177 2.617
211 HE2 TYR 27 HE1 TYR 27 7.422 1.495 1.251
212 HH TYR 27 HH TYR 27 7.406 4.007 3.763
213 H TYR 28 H TYR 28 3.873 1.129 -2.201
214 HA TYR 28 HA TYR 28 2.369 -0.042 0.090
215 HB2 TYR 28 HB2 TYR 28 2.942 -1.350 -2.607
216 HB3 TYR 28 HB3 TYR 28 2.026 -2.002 -1.248
217 HD1 TYR 28 HD1 TYR 28 0.059 -0.327 -0.402
218 HD2 TYR 28 HD2 TYR 28 1.680 -0.412 -4.382
219 HE1 TYR 28 HE1 TYR 28 -2.048 0.631 -1.267
220 HE2 TYR 28 HE2 TYR 28 -0.439 0.530 -5.267
221 HH TYR 28 HH TYR 28 -3.339 0.738 -3.300
222 H PHE 29 H PHE 29 3.544 -1.576 1.277
223 HA PHE 29 HA PHE 29 6.420 -1.992 0.610
224 HB2 PHE 29 HB2 PHE 29 6.167 -0.119 2.209
225 HB3 PHE 29 HB3 PHE 29 5.240 -1.167 3.290
226 HD1 PHE 29 HD2 PHE 29 6.377 -3.127 4.397
227 HD2 PHE 29 HD1 PHE 29 8.580 -0.257 2.049
228 HE1 PHE 29 HE2 PHE 29 8.515 -3.915 5.395
229 HE2 PHE 29 HE1 PHE 29 10.684 -1.036 3.071
230 HZ PHE 29 HZ PHE 29 10.635 -2.857 4.755
231 H ASN 30 H ASN 30 6.949 -4.045 0.770
232 HA ASN 30 HA ASN 30 5.044 -6.022 1.926
233 HB2 ASN 30 HB2 ASN 30 6.015 -6.265 -0.371
234 HB3 ASN 30 HB3 ASN 30 7.559 -6.651 0.365
235 HD21 ASN 30 HD21 ASN 30 6.512 -8.627 -1.255
236 HD22 ASN 30 HD22 ASN 30 5.541 -9.753 -0.357
237 H HIS 31 H HIS 31 5.406 -6.184 4.184
238 HA HIS 31 HA HIS 31 8.080 -5.849 5.247
239 HB2 HIS 31 HB2 HIS 31 7.107 -6.149 7.354
240 HB3 HIS 31 HB3 HIS 31 5.906 -5.247 6.421
241 HD1 HIS 31 HD1 HIS 31 6.588 -8.759 7.869
242 HD2 HIS 31 HD2 HIS 31 3.511 -6.467 6.103
243 HE1 HIS 31 HE1 HIS 31 4.500 -10.152 7.983
244 H ILE 32 H ILE 32 6.625 -8.489 3.683
245 HA ILE 32 HA ILE 32 7.845 -10.573 5.252
246 HB ILE 32 HB ILE 32 6.755 -10.496 2.411
247 HG12 ILE 32 HG12 ILE 32 5.801 -11.632 5.073
248 HG13 ILE 32 HG13 ILE 32 5.117 -10.264 4.206
249 HG21 ILE 32 HG21 ILE 32 6.910 -12.971 2.349
250 HG22 ILE 32 HG22 ILE 32 8.472 -12.190 2.328
251 HG23 ILE 32 HG23 ILE 32 7.882 -12.926 3.838
252 HD11 ILE 32 HD11 ILE 32 4.500 -11.909 2.332
253 HD12 ILE 32 HD12 ILE 32 4.916 -13.207 3.465
254 HD13 ILE 32 HD13 ILE 32 3.615 -12.079 3.859
255 H THR 33 H THR 33 8.865 -8.717 2.350
256 HA THR 33 HA THR 33 11.575 -9.958 2.790
257 HB THR 33 HB THR 33 10.095 -10.821 0.936
258 HG1 THR 33 HG1 THR 33 11.650 -11.208 -0.340
259 HG21 THR 33 HG21 THR 33 10.857 -8.216 -0.406
260 HG22 THR 33 HG22 THR 33 9.208 -8.686 0.102
261 HG23 THR 33 HG23 THR 33 10.037 -9.591 -1.166
262 H ASN 34 H ASN 34 9.900 -7.118 3.032
263 HA ASN 34 HA ASN 34 10.557 -5.003 3.477
264 HB2 ASN 34 HB2 ASN 34 12.751 -6.105 4.263
265 HB3 ASN 34 HB3 ASN 34 13.429 -5.564 2.723
266 HD21 ASN 34 HD21 ASN 34 13.577 -4.824 5.792
267 HD22 ASN 34 HD22 ASN 34 13.652 -3.073 5.741
268 H ALA 35 H ALA 35 9.733 -6.161 0.893
269 HA ALA 35 HA ALA 35 11.051 -4.441 -1.140
270 HB1 ALA 35 HB1 ALA 35 9.467 -5.480 -2.753
271 HB2 ALA 35 HB2 ALA 35 10.460 -6.674 -1.936
272 HB3 ALA 35 HB3 ALA 35 8.757 -6.441 -1.459
273 H SER 36 H SER 36 9.297 -3.313 -2.631
274 HA SER 36 HA SER 36 7.002 -2.276 -1.335
275 HB2 SER 36 HB2 SER 36 7.782 -0.012 -1.132
276 HB3 SER 36 HB3 SER 36 8.911 -1.100 -0.346
277 HG SER 36 HG SER 36 9.760 0.669 -1.873
278 H GLN 37 H GLN 37 5.831 -0.784 -2.869
279 HA GLN 37 HA GLN 37 6.818 -0.474 -5.466
280 HB2 GLN 37 HB2 GLN 37 5.410 -2.993 -5.038
281 HB3 GLN 37 HB3 GLN 37 4.383 -1.969 -6.021
282 HG2 GLN 37 HG2 GLN 37 7.267 -2.746 -6.641
283 HG3 GLN 37 HG3 GLN 37 5.815 -3.347 -7.434
284 HE21 GLN 37 HE21 GLN 37 8.345 -1.407 -8.107
285 HE22 GLN 37 HE22 GLN 37 7.583 -0.198 -9.087
286 H TRP 38 H TRP 38 5.029 0.487 -6.847
287 HA TRP 38 HA TRP 38 3.320 2.286 -5.215
288 HB2 TRP 38 HB2 TRP 38 4.389 2.692 -8.029
289 HB3 TRP 38 HB3 TRP 38 3.613 3.867 -6.977
290 HD1 TRP 38 HD1 TRP 38 6.900 1.911 -7.268
291 HE1 TRP 38 HE1 TRP 38 8.713 3.023 -5.830
292 HE3 TRP 38 HE3 TRP 38 4.019 5.492 -5.014
293 HZ2 TRP 38 HZ2 TRP 38 8.899 5.274 -3.993
294 HZ3 TRP 38 HZ3 TRP 38 5.029 7.051 -3.413
295 HH2 TRP 38 HH2 TRP 38 7.452 7.006 -2.945
296 H GLU 39 H GLU 39 3.420 -0.090 -7.816
297 HA GLU 39 HA GLU 39 0.632 0.311 -8.651
298 HB2 GLU 39 HB2 GLU 39 2.619 -1.914 -9.259
299 HB3 GLU 39 HB3 GLU 39 1.089 -1.617 -10.096
300 HG2 GLU 39 HG2 GLU 39 2.001 0.671 -10.745
301 HG3 GLU 39 HG3 GLU 39 3.569 0.179 -10.100
302 H ARG 40 H ARG 40 -1.042 -1.394 -8.173
303 HA ARG 40 HA ARG 40 -0.881 -2.199 -5.474
304 HB2 ARG 40 HB2 ARG 40 -2.814 -2.925 -7.674
305 HB3 ARG 40 HB3 ARG 40 -2.950 -3.585 -6.047
306 HG2 ARG 40 HG2 ARG 40 -3.270 -1.460 -5.032
307 HG3 ARG 40 HG3 ARG 40 -2.721 -0.594 -6.449
308 HD2 ARG 40 HD2 ARG 40 -5.029 -0.318 -6.538
309 HD3 ARG 40 HD3 ARG 40 -4.776 -1.623 -7.686
310 HE ARG 40 HE ARG 40 -6.000 -1.723 -4.996
311 HH11 ARG 40 HH11 ARG 40 -5.055 -3.694 -7.862
312 HH12 ARG 40 HH12 ARG 40 -5.710 -5.132 -7.140
313 HH21 ARG 40 HH21 ARG 40 -7.079 -3.674 -4.303
314 HH22 ARG 40 HH22 ARG 40 -6.826 -5.116 -5.237
315 HA PRO 41 HA PRO 41 1.521 -5.930 -6.222
316 HB2 PRO 41 HB2 PRO 41 1.635 -6.829 -3.627
317 HB3 PRO 41 HB3 PRO 41 2.639 -5.513 -4.269
318 HG2 PRO 41 HG2 PRO 41 0.049 -5.361 -2.720
319 HG3 PRO 41 HG3 PRO 41 1.529 -4.390 -2.444
320 HD2 PRO 41 HD2 PRO 41 -0.611 -3.442 -3.816
321 HD3 PRO 41 HD3 PRO 41 1.053 -3.004 -4.270
322 H SER 42 H SER 42 1.316 -8.234 -5.482
323 HA SER 42 HA SER 42 -1.342 -9.320 -5.003
324 HB2 SER 42 HB2 SER 42 -1.215 -8.891 -7.469
325 HB3 SER 42 HB3 SER 42 0.231 -9.917 -7.558
326 HG SER 42 HG SER 42 -0.956 -11.609 -7.469
327 H GLY 43 H GLY 43 -0.198 -9.740 -3.107
328 HA2 GLY 43 HA2 GLY 43 1.100 -10.863 -1.555
329 HA3 GLY 43 HA3 GLY 43 0.678 -12.267 -2.534
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -11.709 7.349 -8.698
2 HA2 GLY 1 HA2 GLY 1 -14.110 6.938 -8.453
3 HA3 GLY 1 HA3 GLY 1 -13.154 5.861 -7.425
4 H LEU 2 H LEU 2 -15.760 6.289 -6.770
5 HA LEU 2 HA LEU 2 -15.559 7.820 -4.254
6 HB2 LEU 2 HB2 LEU 2 -16.703 9.189 -6.125
7 HB3 LEU 2 HB3 LEU 2 -17.999 8.012 -6.070
8 HG LEU 2 HG LEU 2 -18.601 9.934 -4.795
9 HD11 LEU 2 HD11 LEU 2 -19.219 7.658 -3.798
10 HD12 LEU 2 HD12 LEU 2 -19.269 9.058 -2.713
11 HD13 LEU 2 HD13 LEU 2 -17.919 7.936 -2.633
12 HD21 LEU 2 HD21 LEU 2 -16.164 9.518 -3.017
13 HD22 LEU 2 HD22 LEU 2 -17.359 10.834 -2.989
14 HD23 LEU 2 HD23 LEU 2 -16.245 10.694 -4.348
15 H GLU 3 H GLU 3 -15.906 6.361 -2.746
16 HA GLU 3 HA GLU 3 -18.000 4.302 -2.946
17 HB2 GLU 3 HB2 GLU 3 -14.993 4.011 -2.459
18 HB3 GLU 3 HB3 GLU 3 -16.121 2.821 -1.854
19 HG2 GLU 3 HG2 GLU 3 -15.955 3.581 -4.815
20 HG3 GLU 3 HG3 GLU 3 -15.043 2.272 -4.095
21 H HIS 4 H HIS 4 -18.059 3.305 -0.560
22 HA HIS 4 HA HIS 4 -17.524 5.400 1.485
23 HB2 HIS 4 HB2 HIS 4 -19.946 5.395 0.707
24 HB3 HIS 4 HB3 HIS 4 -20.094 3.798 1.436
25 HD1 HIS 4 HD1 HIS 4 -18.581 7.178 2.807
26 HD2 HIS 4 HD2 HIS 4 -21.384 4.161 3.732
27 HE1 HIS 4 HE1 HIS 4 -19.516 7.728 5.082
28 H MET 5 H MET 5 -16.954 2.250 0.494
29 HA MET 5 HA MET 5 -15.974 1.494 3.175
30 HB2 MET 5 HB2 MET 5 -16.750 -0.878 2.716
31 HB3 MET 5 HB3 MET 5 -17.973 0.269 3.263
32 HG2 MET 5 HG2 MET 5 -18.864 0.508 1.036
33 HG3 MET 5 HG3 MET 5 -17.555 -0.457 0.346
34 HE1 MET 5 HE1 MET 5 -18.465 -2.550 -0.796
35 HE2 MET 5 HE2 MET 5 -20.167 -2.981 -0.505
36 HE3 MET 5 HE3 MET 5 -19.729 -1.322 -0.935
37 H ALA 6 H ALA 6 -13.985 2.146 2.373
38 HA ALA 6 HA ALA 6 -12.901 1.092 -0.144
39 HB1 ALA 6 HB1 ALA 6 -12.345 3.367 0.585
40 HB2 ALA 6 HB2 ALA 6 -11.685 2.741 2.116
41 HB3 ALA 6 HB3 ALA 6 -10.892 2.365 0.576
42 H ASP 7 H ASP 7 -13.527 -1.131 0.696
43 HA ASP 7 HA ASP 7 -11.678 -2.262 2.716
44 HB2 ASP 7 HB2 ASP 7 -14.258 -3.208 1.478
45 HB3 ASP 7 HB3 ASP 7 -13.153 -4.342 2.286
46 H GLU 8 H GLU 8 -12.251 -2.059 -0.673
47 HA GLU 8 HA GLU 8 -10.426 -4.163 -1.410
48 HB2 GLU 8 HB2 GLU 8 -10.845 -3.464 -3.596
49 HB3 GLU 8 HB3 GLU 8 -12.365 -3.452 -2.773
50 HG2 GLU 8 HG2 GLU 8 -12.693 -1.218 -3.119
51 HG3 GLU 8 HG3 GLU 8 -11.005 -0.800 -2.841
52 H GLU 9 H GLU 9 -9.813 -1.412 0.201
53 HA GLU 9 HA GLU 9 -7.374 -0.546 -1.227
54 HB2 GLU 9 HB2 GLU 9 -9.272 0.969 -0.184
55 HB3 GLU 9 HB3 GLU 9 -8.382 0.678 1.320
56 HG2 GLU 9 HG2 GLU 9 -6.283 1.449 0.039
57 HG3 GLU 9 HG3 GLU 9 -7.366 1.931 -1.276
58 H LYS 10 H LYS 10 -8.218 -2.937 1.093
59 HA LYS 10 HA LYS 10 -5.904 -2.600 2.816
60 HB2 LYS 10 HB2 LYS 10 -8.081 -4.736 2.550
61 HB3 LYS 10 HB3 LYS 10 -6.633 -4.947 3.545
62 HG2 LYS 10 HG2 LYS 10 -8.091 -4.094 5.105
63 HG3 LYS 10 HG3 LYS 10 -7.198 -2.663 4.587
64 HD2 LYS 10 HD2 LYS 10 -9.172 -2.187 2.997
65 HD3 LYS 10 HD3 LYS 10 -10.033 -3.468 3.883
66 HE2 LYS 10 HE2 LYS 10 -9.598 -2.232 6.002
67 HE3 LYS 10 HE3 LYS 10 -8.726 -1.002 5.069
68 HZ1 LYS 10 HZ1 LYS 10 -11.625 -1.596 4.828
69 HZ2 LYS 10 HZ2 LYS 10 -10.794 -0.529 3.891
70 HZ3 LYS 10 HZ3 LYS 10 -10.920 -0.260 5.494
71 H LEU 11 H LEU 11 -4.000 -3.112 2.227
72 HA LEU 11 HA LEU 11 -3.361 -4.414 -0.199
73 HB2 LEU 11 HB2 LEU 11 -1.845 -3.483 2.238
74 HB3 LEU 11 HB3 LEU 11 -1.003 -4.481 1.082
75 HG LEU 11 HG LEU 11 -0.799 -1.980 0.746
76 HD11 LEU 11 HD11 LEU 11 -0.974 -2.140 -1.736
77 HD12 LEU 11 HD12 LEU 11 -1.897 -3.617 -1.588
78 HD13 LEU 11 HD13 LEU 11 -0.203 -3.553 -1.019
79 HD21 LEU 11 HD21 LEU 11 -2.615 -0.850 -0.558
80 HD22 LEU 11 HD22 LEU 11 -3.127 -1.248 1.064
81 HD23 LEU 11 HD23 LEU 11 -3.662 -2.196 -0.346
82 HA PRO 12 HA PRO 12 -3.453 -8.721 0.545
83 HB2 PRO 12 HB2 PRO 12 -1.160 -9.581 -0.838
84 HB3 PRO 12 HB3 PRO 12 -2.750 -9.197 -1.578
85 HG2 PRO 12 HG2 PRO 12 -0.250 -7.559 -1.421
86 HG3 PRO 12 HG3 PRO 12 -1.461 -7.620 -2.722
87 HD2 PRO 12 HD2 PRO 12 -1.278 -5.623 -0.867
88 HD3 PRO 12 HD3 PRO 12 -2.810 -6.047 -1.681
89 HA PRO 13 HA PRO 13 -0.984 -10.198 3.826
90 HB2 PRO 13 HB2 PRO 13 -0.140 -12.750 3.073
91 HB3 PRO 13 HB3 PRO 13 -1.759 -12.325 3.687
92 HG2 PRO 13 HG2 PRO 13 -0.877 -12.593 0.814
93 HG3 PRO 13 HG3 PRO 13 -2.357 -13.251 1.589
94 HD2 PRO 13 HD2 PRO 13 -2.490 -11.015 0.167
95 HD3 PRO 13 HD3 PRO 13 -3.339 -11.072 1.730
96 H GLY 14 H GLY 14 0.807 -9.301 4.281
97 HA2 GLY 14 HA2 GLY 14 3.208 -9.357 4.478
98 HA3 GLY 14 HA3 GLY 14 3.320 -9.766 2.766
99 H TRP 15 H TRP 15 1.264 -7.721 1.975
100 HA TRP 15 HA TRP 15 3.181 -5.502 1.884
101 HB2 TRP 15 HB2 TRP 15 0.575 -6.034 0.464
102 HB3 TRP 15 HB3 TRP 15 1.549 -4.596 0.251
103 HD1 TRP 15 HD1 TRP 15 1.687 -8.375 -0.525
104 HE1 TRP 15 HE1 TRP 15 3.292 -8.716 -2.488
105 HE3 TRP 15 HE3 TRP 15 3.684 -3.710 -0.680
106 HZ2 TRP 15 HZ2 TRP 15 5.173 -7.111 -4.002
107 HZ3 TRP 15 HZ3 TRP 15 5.341 -3.098 -2.438
108 HH2 TRP 15 HH2 TRP 15 6.128 -4.803 -4.077
109 H GLU 16 H GLU 16 2.729 -3.463 2.456
110 HA GLU 16 HA GLU 16 0.375 -2.733 4.114
111 HB2 GLU 16 HB2 GLU 16 3.344 -2.860 4.749
112 HB3 GLU 16 HB3 GLU 16 2.430 -1.509 5.399
113 HG2 GLU 16 HG2 GLU 16 1.441 -4.352 5.774
114 HG3 GLU 16 HG3 GLU 16 2.651 -3.620 6.849
115 H LYS 17 H LYS 17 -0.301 -0.684 3.627
116 HA LYS 17 HA LYS 17 1.144 0.869 1.577
117 HB2 LYS 17 HB2 LYS 17 -1.311 0.541 1.477
118 HB3 LYS 17 HB3 LYS 17 -1.499 1.378 3.029
119 HG2 LYS 17 HG2 LYS 17 -0.407 3.428 1.961
120 HG3 LYS 17 HG3 LYS 17 -0.378 2.542 0.437
121 HD2 LYS 17 HD2 LYS 17 -2.277 3.871 0.248
122 HD3 LYS 17 HD3 LYS 17 -2.949 2.302 0.721
123 HE2 LYS 17 HE2 LYS 17 -3.112 3.062 3.061
124 HE3 LYS 17 HE3 LYS 17 -2.336 4.605 2.629
125 HZ1 LYS 17 HZ1 LYS 17 -5.006 3.687 1.707
126 HZ2 LYS 17 HZ2 LYS 17 -4.274 5.047 1.182
127 HZ3 LYS 17 HZ3 LYS 17 -4.670 4.898 2.753
128 H ARG 18 H ARG 18 2.744 2.241 2.227
129 HA ARG 18 HA ARG 18 2.488 3.662 4.860
130 HB2 ARG 18 HB2 ARG 18 5.029 2.911 3.382
131 HB3 ARG 18 HB3 ARG 18 4.941 3.675 4.936
132 HG2 ARG 18 HG2 ARG 18 3.774 0.891 4.565
133 HG3 ARG 18 HG3 ARG 18 5.486 1.152 4.895
134 HD2 ARG 18 HD2 ARG 18 5.091 2.158 6.977
135 HD3 ARG 18 HD3 ARG 18 3.430 2.557 6.603
136 HE ARG 18 HE ARG 18 2.735 0.295 6.941
137 HH11 ARG 18 HH11 ARG 18 6.128 0.808 7.952
138 HH12 ARG 18 HH12 ARG 18 6.104 -0.519 9.051
139 HH21 ARG 18 HH21 ARG 18 2.705 -1.397 8.397
140 HH22 ARG 18 HH22 ARG 18 4.085 -1.746 9.380
141 H MET 19 H MET 19 4.348 5.581 4.554
142 HA MET 19 HA MET 19 3.968 6.923 2.005
143 HB2 MET 19 HB2 MET 19 2.094 7.768 3.477
144 HB3 MET 19 HB3 MET 19 3.310 8.231 4.669
145 HG2 MET 19 HG2 MET 19 4.409 9.535 2.640
146 HG3 MET 19 HG3 MET 19 2.843 9.353 1.877
147 HE1 MET 19 HE1 MET 19 5.076 11.235 4.522
148 HE2 MET 19 HE2 MET 19 3.862 11.682 5.732
149 HE3 MET 19 HE3 MET 19 4.252 9.982 5.450
150 H GLU 20 H GLU 20 5.814 7.850 1.460
151 HA GLU 20 HA GLU 20 8.162 7.294 2.881
152 HB2 GLU 20 HB2 GLU 20 7.410 8.530 0.360
153 HB3 GLU 20 HB3 GLU 20 8.697 9.468 1.134
154 HG2 GLU 20 HG2 GLU 20 8.782 6.483 0.759
155 HG3 GLU 20 HG3 GLU 20 9.478 7.641 -0.383
156 H ARG 21 H ARG 21 8.996 8.260 4.663
157 HA ARG 21 HA ARG 21 7.870 10.797 5.583
158 HB2 ARG 21 HB2 ARG 21 10.315 9.280 6.607
159 HB3 ARG 21 HB3 ARG 21 9.509 10.655 7.380
160 HG2 ARG 21 HG2 ARG 21 7.354 9.197 7.356
161 HG3 ARG 21 HG3 ARG 21 8.417 7.839 6.958
162 HD2 ARG 21 HD2 ARG 21 8.082 7.854 9.353
163 HD3 ARG 21 HD3 ARG 21 9.751 8.335 9.032
164 HE ARG 21 HE ARG 21 9.354 10.420 9.867
165 HH11 ARG 21 HH11 ARG 21 6.224 8.719 9.628
166 HH12 ARG 21 HH12 ARG 21 5.417 9.881 10.623
167 HH21 ARG 21 HH21 ARG 21 8.125 12.049 11.022
168 HH22 ARG 21 HH22 ARG 21 6.438 11.813 11.271
169 H SER 22 H SER 22 10.509 9.836 3.498
170 HA SER 22 HA SER 22 12.249 11.983 3.754
171 HB2 SER 22 HB2 SER 22 12.447 9.792 2.412
172 HB3 SER 22 HB3 SER 22 11.586 10.647 1.106
173 HG SER 22 HG SER 22 13.554 11.142 0.621
174 H SER 23 H SER 23 9.430 11.748 1.457
175 HA SER 23 HA SER 23 9.358 14.743 1.462
176 HB2 SER 23 HB2 SER 23 8.872 12.922 -0.908
177 HB3 SER 23 HB3 SER 23 8.764 14.656 -0.907
178 HG SER 23 HG SER 23 11.077 14.630 -0.280
179 H GLY 24 H GLY 24 7.464 11.709 1.248
180 HA2 GLY 24 HA2 GLY 24 5.379 11.732 2.511
181 HA3 GLY 24 HA3 GLY 24 5.020 13.321 1.878
182 H ARG 25 H ARG 25 6.108 10.189 0.216
183 HA ARG 25 HA ARG 25 3.621 10.540 -1.390
184 HB2 ARG 25 HB2 ARG 25 5.840 10.917 -2.583
185 HB3 ARG 25 HB3 ARG 25 6.148 9.203 -2.305
186 HG2 ARG 25 HG2 ARG 25 5.271 9.279 -4.481
187 HG3 ARG 25 HG3 ARG 25 3.864 8.803 -3.520
188 HD2 ARG 25 HD2 ARG 25 4.485 11.650 -4.397
189 HD3 ARG 25 HD3 ARG 25 3.476 10.553 -5.331
190 HE ARG 25 HE ARG 25 2.809 12.057 -2.961
191 HH11 ARG 25 HH11 ARG 25 1.890 9.207 -4.943
192 HH12 ARG 25 HH12 ARG 25 0.389 8.950 -4.155
193 HH21 ARG 25 HH21 ARG 25 0.819 11.576 -1.760
194 HH22 ARG 25 HH22 ARG 25 -0.243 10.336 -2.294
195 H VAL 26 H VAL 26 2.221 8.945 -1.356
196 HA VAL 26 HA VAL 26 2.585 6.789 0.546
197 HB VAL 26 HB VAL 26 0.275 7.442 -1.307
198 HG11 VAL 26 HG11 VAL 26 0.428 5.556 1.094
199 HG12 VAL 26 HG12 VAL 26 -1.072 6.050 0.268
200 HG13 VAL 26 HG13 VAL 26 0.144 5.088 -0.580
201 HG21 VAL 26 HG21 VAL 26 0.893 8.133 1.599
202 HG22 VAL 26 HG22 VAL 26 0.651 9.269 0.250
203 HG23 VAL 26 HG23 VAL 26 -0.699 8.317 0.879
204 H TYR 27 H TYR 27 2.660 4.566 0.072
205 HA TYR 27 HA TYR 27 2.823 3.590 -2.626
206 HB2 TYR 27 HB2 TYR 27 5.131 2.995 -2.641
207 HB3 TYR 27 HB3 TYR 27 5.070 4.700 -2.272
208 HD1 TYR 27 HD2 TYR 27 5.171 5.364 0.327
209 HD2 TYR 27 HD1 TYR 27 6.473 1.619 -1.357
210 HE1 TYR 27 HE2 TYR 27 6.660 5.005 2.279
211 HE2 TYR 27 HE1 TYR 27 7.864 1.198 0.642
212 HH TYR 27 HH TYR 27 9.032 2.365 2.357
213 H TYR 28 H TYR 28 3.900 1.148 -2.266
214 HA TYR 28 HA TYR 28 2.571 -0.017 0.121
215 HB2 TYR 28 HB2 TYR 28 2.936 -1.264 -2.622
216 HB3 TYR 28 HB3 TYR 28 2.080 -1.932 -1.238
217 HD1 TYR 28 HD1 TYR 28 0.288 -0.054 -0.229
218 HD2 TYR 28 HD2 TYR 28 1.525 -0.420 -4.342
219 HE1 TYR 28 HE1 TYR 28 -1.807 1.020 -0.928
220 HE2 TYR 28 HE2 TYR 28 -0.564 0.715 -5.056
221 HH TYR 28 HH TYR 28 -3.261 1.238 -2.940
222 H PHE 29 H PHE 29 3.815 -1.581 1.238
223 HA PHE 29 HA PHE 29 6.604 -2.104 0.355
224 HB2 PHE 29 HB2 PHE 29 6.585 -0.254 1.985
225 HB3 PHE 29 HB3 PHE 29 5.628 -1.225 3.100
226 HD1 PHE 29 HD2 PHE 29 6.680 -3.267 4.199
227 HD2 PHE 29 HD1 PHE 29 8.948 -0.567 1.708
228 HE1 PHE 29 HE2 PHE 29 8.811 -4.204 5.078
229 HE2 PHE 29 HE1 PHE 29 11.050 -1.441 2.671
230 HZ PHE 29 HZ PHE 29 10.960 -3.225 4.398
231 H ASN 30 H ASN 30 7.091 -4.206 0.551
232 HA ASN 30 HA ASN 30 5.140 -6.073 1.814
233 HB2 ASN 30 HB2 ASN 30 5.931 -6.409 -0.533
234 HB3 ASN 30 HB3 ASN 30 7.541 -6.707 0.096
235 HD21 ASN 30 HD21 ASN 30 6.611 -8.785 -1.310
236 HD22 ASN 30 HD22 ASN 30 6.049 -10.061 -0.249
237 H HIS 31 H HIS 31 5.593 -6.494 4.009
238 HA HIS 31 HA HIS 31 8.292 -6.164 5.013
239 HB2 HIS 31 HB2 HIS 31 7.385 -6.572 7.121
240 HB3 HIS 31 HB3 HIS 31 6.137 -5.666 6.270
241 HD1 HIS 31 HD1 HIS 31 6.963 -9.261 7.412
242 HD2 HIS 31 HD2 HIS 31 3.743 -6.859 6.114
243 HE1 HIS 31 HE1 HIS 31 4.875 -10.679 7.605
244 H ILE 32 H ILE 32 6.744 -8.760 3.435
245 HA ILE 32 HA ILE 32 8.022 -10.935 4.863
246 HB ILE 32 HB ILE 32 6.767 -10.729 2.101
247 HG12 ILE 32 HG12 ILE 32 5.874 -12.169 4.642
248 HG13 ILE 32 HG13 ILE 32 5.305 -10.574 4.151
249 HG21 ILE 32 HG21 ILE 32 7.852 -13.270 3.359
250 HG22 ILE 32 HG22 ILE 32 6.885 -13.159 1.867
251 HG23 ILE 32 HG23 ILE 32 8.475 -12.454 1.904
252 HD11 ILE 32 HD11 ILE 32 4.830 -13.180 2.658
253 HD12 ILE 32 HD12 ILE 32 3.643 -12.199 3.528
254 HD13 ILE 32 HD13 ILE 32 4.383 -11.570 2.052
255 H THR 33 H THR 33 8.868 -8.983 1.960
256 HA THR 33 HA THR 33 11.599 -10.151 2.227
257 HB THR 33 HB THR 33 10.139 -11.134 0.419
258 HG1 THR 33 HG1 THR 33 12.586 -10.047 -0.456
259 HG21 THR 33 HG21 THR 33 10.049 -10.042 -1.727
260 HG22 THR 33 HG22 THR 33 10.828 -8.591 -1.065
261 HG23 THR 33 HG23 THR 33 9.197 -9.067 -0.517
262 H ASN 34 H ASN 34 10.064 -7.436 2.878
263 HA ASN 34 HA ASN 34 10.718 -5.312 3.169
264 HB2 ASN 34 HB2 ASN 34 12.841 -6.591 3.913
265 HB3 ASN 34 HB3 ASN 34 13.548 -6.030 2.397
266 HD21 ASN 34 HD21 ASN 34 13.214 -3.436 2.126
267 HD22 ASN 34 HD22 ASN 34 13.629 -2.541 3.575
268 H ALA 35 H ALA 35 9.737 -6.232 0.604
269 HA ALA 35 HA ALA 35 11.120 -4.583 -1.440
270 HB1 ALA 35 HB1 ALA 35 9.399 -5.581 -2.990
271 HB2 ALA 35 HB2 ALA 35 10.443 -6.768 -2.220
272 HB3 ALA 35 HB3 ALA 35 8.778 -6.545 -1.652
273 H SER 36 H SER 36 9.375 -3.359 -2.880
274 HA SER 36 HA SER 36 7.123 -2.241 -1.605
275 HB2 SER 36 HB2 SER 36 7.878 -0.087 -1.131
276 HB3 SER 36 HB3 SER 36 9.190 -1.135 -0.592
277 HG SER 36 HG SER 36 9.817 0.784 -1.728
278 H GLN 37 H GLN 37 5.854 -0.861 -3.034
279 HA GLN 37 HA GLN 37 6.901 -0.231 -5.586
280 HB2 GLN 37 HB2 GLN 37 5.560 -2.809 -5.346
281 HB3 GLN 37 HB3 GLN 37 4.474 -1.738 -6.221
282 HG2 GLN 37 HG2 GLN 37 7.345 -2.348 -7.002
283 HG3 GLN 37 HG3 GLN 37 5.894 -3.001 -7.765
284 HE21 GLN 37 HE21 GLN 37 4.620 -1.550 -9.195
285 HE22 GLN 37 HE22 GLN 37 5.185 0.093 -9.555
286 H TRP 38 H TRP 38 5.053 0.823 -6.937
287 HA TRP 38 HA TRP 38 3.296 2.380 -5.122
288 HB2 TRP 38 HB2 TRP 38 3.979 2.957 -8.011
289 HB3 TRP 38 HB3 TRP 38 3.317 4.056 -6.810
290 HD1 TRP 38 HD1 TRP 38 6.568 2.301 -7.801
291 HE1 TRP 38 HE1 TRP 38 8.590 3.471 -6.723
292 HE3 TRP 38 HE3 TRP 38 4.097 5.618 -4.768
293 HZ2 TRP 38 HZ2 TRP 38 9.070 5.689 -4.951
294 HZ3 TRP 38 HZ3 TRP 38 5.366 7.141 -3.330
295 HH2 TRP 38 HH2 TRP 38 7.848 7.289 -3.487
296 H GLU 39 H GLU 39 3.234 0.036 -7.748
297 HA GLU 39 HA GLU 39 0.387 0.418 -8.395
298 HB2 GLU 39 HB2 GLU 39 2.551 -1.555 -9.177
299 HB3 GLU 39 HB3 GLU 39 0.912 -1.722 -9.745
300 HG2 GLU 39 HG2 GLU 39 2.588 0.776 -10.230
301 HG3 GLU 39 HG3 GLU 39 2.613 -0.621 -11.315
302 H ARG 40 H ARG 40 -1.226 -0.858 -7.550
303 HA ARG 40 HA ARG 40 -1.053 -2.088 -5.111
304 HB2 ARG 40 HB2 ARG 40 -3.038 -2.292 -7.357
305 HB3 ARG 40 HB3 ARG 40 -3.269 -3.228 -5.868
306 HG2 ARG 40 HG2 ARG 40 -3.413 -1.290 -4.503
307 HG3 ARG 40 HG3 ARG 40 -2.740 -0.248 -5.765
308 HD2 ARG 40 HD2 ARG 40 -5.096 0.117 -5.553
309 HD3 ARG 40 HD3 ARG 40 -4.709 -0.526 -7.159
310 HE ARG 40 HE ARG 40 -5.429 -2.735 -5.568
311 HH11 ARG 40 HH11 ARG 40 -6.968 0.212 -6.800
312 HH12 ARG 40 HH12 ARG 40 -8.589 -0.398 -6.583
313 HH21 ARG 40 HH21 ARG 40 -7.545 -3.558 -5.437
314 HH22 ARG 40 HH22 ARG 40 -8.918 -2.467 -5.699
315 HA PRO 41 HA PRO 41 0.911 -6.047 -6.345
316 HB2 PRO 41 HB2 PRO 41 1.356 -6.999 -3.823
317 HB3 PRO 41 HB3 PRO 41 2.349 -5.695 -4.566
318 HG2 PRO 41 HG2 PRO 41 0.022 -5.433 -2.654
319 HG3 PRO 41 HG3 PRO 41 1.590 -4.579 -2.579
320 HD2 PRO 41 HD2 PRO 41 -0.637 -3.451 -3.605
321 HD3 PRO 41 HD3 PRO 41 0.997 -3.094 -4.240
322 H SER 42 H SER 42 0.493 -8.424 -5.390
323 HA SER 42 HA SER 42 -2.133 -8.957 -4.342
324 HB2 SER 42 HB2 SER 42 -1.419 -9.771 -7.190
325 HB3 SER 42 HB3 SER 42 -2.808 -10.366 -6.257
326 HG SER 42 HG SER 42 -2.645 -7.661 -6.156
327 H GLY 43 H GLY 43 -1.770 -10.604 -2.986
328 HA2 GLY 43 HA2 GLY 43 0.662 -12.322 -3.273
329 HA3 GLY 43 HA3 GLY 43 0.084 -11.680 -1.719
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -14.824 10.912 -6.789
2 HA2 GLY 1 HA2 GLY 1 -16.384 9.548 -4.670
3 HA3 GLY 1 HA3 GLY 1 -14.918 8.889 -5.425
4 H LEU 2 H LEU 2 -15.768 9.978 -2.548
5 HA LEU 2 HA LEU 2 -13.156 11.172 -1.990
6 HB2 LEU 2 HB2 LEU 2 -14.592 13.133 -2.444
7 HB3 LEU 2 HB3 LEU 2 -15.826 12.511 -1.342
8 HG LEU 2 HG LEU 2 -14.295 12.782 0.581
9 HD11 LEU 2 HD11 LEU 2 -12.098 12.470 -0.445
10 HD12 LEU 2 HD12 LEU 2 -12.170 14.090 0.242
11 HD13 LEU 2 HD13 LEU 2 -12.360 13.867 -1.512
12 HD21 LEU 2 HD21 LEU 2 -15.765 14.640 -0.127
13 HD22 LEU 2 HD22 LEU 2 -14.477 15.282 -1.155
14 HD23 LEU 2 HD23 LEU 2 -14.278 15.230 0.620
15 H GLU 3 H GLU 3 -12.438 10.251 -0.117
16 HA GLU 3 HA GLU 3 -12.280 9.015 1.716
17 HB2 GLU 3 HB2 GLU 3 -13.775 10.985 2.433
18 HB3 GLU 3 HB3 GLU 3 -15.100 9.825 2.451
19 HG2 GLU 3 HG2 GLU 3 -13.781 8.465 4.145
20 HG3 GLU 3 HG3 GLU 3 -12.561 9.744 4.130
21 H HIS 4 H HIS 4 -14.070 7.977 -0.755
22 HA HIS 4 HA HIS 4 -15.521 5.773 0.435
23 HB2 HIS 4 HB2 HIS 4 -16.033 7.044 -1.748
24 HB3 HIS 4 HB3 HIS 4 -14.715 6.118 -2.471
25 HD1 HIS 4 HD1 HIS 4 -15.353 3.601 -3.176
26 HD2 HIS 4 HD2 HIS 4 -18.151 5.595 -0.736
27 HE1 HIS 4 HE1 HIS 4 -17.334 2.055 -2.976
28 H MET 5 H MET 5 -15.004 3.438 -0.483
29 HA MET 5 HA MET 5 -12.235 2.823 -1.001
30 HB2 MET 5 HB2 MET 5 -11.854 1.478 1.012
31 HB3 MET 5 HB3 MET 5 -12.079 3.165 1.433
32 HG2 MET 5 HG2 MET 5 -14.325 2.750 2.217
33 HG3 MET 5 HG3 MET 5 -14.329 1.111 1.588
34 HE1 MET 5 HE1 MET 5 -12.855 -0.807 2.383
35 HE2 MET 5 HE2 MET 5 -12.781 -1.083 4.142
36 HE3 MET 5 HE3 MET 5 -14.337 -0.770 3.352
37 H ALA 6 H ALA 6 -12.042 0.253 -0.635
38 HA ALA 6 HA ALA 6 -14.460 -1.216 -1.279
39 HB1 ALA 6 HB1 ALA 6 -13.369 -2.251 -3.266
40 HB2 ALA 6 HB2 ALA 6 -13.641 -0.520 -3.525
41 HB3 ALA 6 HB3 ALA 6 -12.014 -1.115 -3.119
42 H ASP 7 H ASP 7 -13.944 -3.496 -0.994
43 HA ASP 7 HA ASP 7 -12.153 -4.032 1.217
44 HB2 ASP 7 HB2 ASP 7 -13.764 -5.847 -0.616
45 HB3 ASP 7 HB3 ASP 7 -12.670 -6.479 0.622
46 H GLU 8 H GLU 8 -11.820 -3.907 -2.205
47 HA GLU 8 HA GLU 8 -9.675 -5.577 -2.806
48 HB2 GLU 8 HB2 GLU 8 -11.180 -4.201 -4.340
49 HB3 GLU 8 HB3 GLU 8 -10.289 -2.769 -3.847
50 HG2 GLU 8 HG2 GLU 8 -9.398 -3.430 -5.947
51 HG3 GLU 8 HG3 GLU 8 -8.184 -3.848 -4.743
52 H GLU 9 H GLU 9 -9.719 -2.406 -1.225
53 HA GLU 9 HA GLU 9 -6.908 -1.886 -1.417
54 HB2 GLU 9 HB2 GLU 9 -8.895 -0.249 -1.057
55 HB3 GLU 9 HB3 GLU 9 -8.728 -0.650 0.628
56 HG2 GLU 9 HG2 GLU 9 -7.519 1.388 0.222
57 HG3 GLU 9 HG3 GLU 9 -6.335 0.149 0.591
58 H LYS 10 H LYS 10 -8.293 -4.420 0.158
59 HA LYS 10 HA LYS 10 -6.618 -4.344 2.618
60 HB2 LYS 10 HB2 LYS 10 -8.487 -6.454 1.417
61 HB3 LYS 10 HB3 LYS 10 -7.521 -6.716 2.843
62 HG2 LYS 10 HG2 LYS 10 -9.639 -4.520 2.671
63 HG3 LYS 10 HG3 LYS 10 -9.930 -6.151 3.260
64 HD2 LYS 10 HD2 LYS 10 -9.523 -5.125 5.256
65 HD3 LYS 10 HD3 LYS 10 -7.919 -5.715 4.880
66 HE2 LYS 10 HE2 LYS 10 -7.677 -3.483 5.687
67 HE3 LYS 10 HE3 LYS 10 -7.367 -3.394 3.953
68 HZ1 LYS 10 HZ1 LYS 10 -8.779 -1.651 4.822
69 HZ2 LYS 10 HZ2 LYS 10 -9.976 -2.738 5.156
70 HZ3 LYS 10 HZ3 LYS 10 -9.508 -2.463 3.608
71 H LEU 11 H LEU 11 -4.611 -4.136 1.751
72 HA LEU 11 HA LEU 11 -3.616 -5.320 -0.532
73 HB2 LEU 11 HB2 LEU 11 -2.358 -4.354 2.052
74 HB3 LEU 11 HB3 LEU 11 -1.348 -5.157 0.882
75 HG LEU 11 HG LEU 11 -1.291 -2.709 0.695
76 HD11 LEU 11 HD11 LEU 11 -2.397 -4.148 -1.771
77 HD12 LEU 11 HD12 LEU 11 -0.697 -3.981 -1.258
78 HD13 LEU 11 HD13 LEU 11 -1.623 -2.581 -1.802
79 HD21 LEU 11 HD21 LEU 11 -3.182 -1.450 -0.221
80 HD22 LEU 11 HD22 LEU 11 -3.656 -2.238 1.275
81 HD23 LEU 11 HD23 LEU 11 -4.157 -2.879 -0.315
82 HA PRO 12 HA PRO 12 -3.174 -9.579 0.179
83 HB2 PRO 12 HB2 PRO 12 -0.653 -10.098 -0.909
84 HB3 PRO 12 HB3 PRO 12 -2.199 -10.027 -1.822
85 HG2 PRO 12 HG2 PRO 12 -0.009 -8.007 -1.588
86 HG3 PRO 12 HG3 PRO 12 -1.131 -8.277 -2.943
87 HD2 PRO 12 HD2 PRO 12 -1.326 -6.230 -1.101
88 HD3 PRO 12 HD3 PRO 12 -2.707 -6.851 -2.033
89 HA PRO 13 HA PRO 13 -0.895 -10.289 3.810
90 HB2 PRO 13 HB2 PRO 13 -0.029 -12.896 3.663
91 HB3 PRO 13 HB3 PRO 13 -1.728 -12.422 3.960
92 HG2 PRO 13 HG2 PRO 13 -0.428 -13.136 1.329
93 HG3 PRO 13 HG3 PRO 13 -1.972 -13.770 1.991
94 HD2 PRO 13 HD2 PRO 13 -1.908 -11.771 0.165
95 HD3 PRO 13 HD3 PRO 13 -3.072 -11.703 1.516
96 H GLY 14 H GLY 14 0.956 -9.468 4.301
97 HA2 GLY 14 HA2 GLY 14 3.353 -9.503 4.427
98 HA3 GLY 14 HA3 GLY 14 3.414 -9.969 2.718
99 H TRP 15 H TRP 15 1.267 -8.045 1.891
100 HA TRP 15 HA TRP 15 3.060 -5.722 1.725
101 HB2 TRP 15 HB2 TRP 15 0.560 -6.461 0.236
102 HB3 TRP 15 HB3 TRP 15 1.383 -4.944 0.071
103 HD1 TRP 15 HD1 TRP 15 2.032 -8.688 -0.694
104 HE1 TRP 15 HE1 TRP 15 3.774 -8.804 -2.563
105 HE3 TRP 15 HE3 TRP 15 3.434 -3.815 -0.711
106 HZ2 TRP 15 HZ2 TRP 15 5.603 -6.941 -3.918
107 HZ3 TRP 15 HZ3 TRP 15 5.128 -2.975 -2.325
108 HH2 TRP 15 HH2 TRP 15 6.236 -4.546 -3.916
109 H GLU 16 H GLU 16 2.533 -3.767 2.449
110 HA GLU 16 HA GLU 16 0.087 -3.341 4.103
111 HB2 GLU 16 HB2 GLU 16 3.061 -3.195 4.692
112 HB3 GLU 16 HB3 GLU 16 2.009 -2.023 5.416
113 HG2 GLU 16 HG2 GLU 16 1.218 -4.916 5.654
114 HG3 GLU 16 HG3 GLU 16 2.602 -4.358 6.552
115 H LYS 17 H LYS 17 -0.858 -1.430 3.599
116 HA LYS 17 HA LYS 17 0.432 0.353 1.659
117 HB2 LYS 17 HB2 LYS 17 -1.957 -0.194 1.595
118 HB3 LYS 17 HB3 LYS 17 -2.185 0.579 3.170
119 HG2 LYS 17 HG2 LYS 17 -1.481 2.760 2.206
120 HG3 LYS 17 HG3 LYS 17 -1.171 1.968 0.667
121 HD2 LYS 17 HD2 LYS 17 -3.228 2.897 0.277
122 HD3 LYS 17 HD3 LYS 17 -3.709 1.276 0.739
123 HE2 LYS 17 HE2 LYS 17 -3.563 3.493 2.801
124 HE3 LYS 17 HE3 LYS 17 -4.926 3.397 1.686
125 HZ1 LYS 17 HZ1 LYS 17 -5.420 2.299 3.709
126 HZ2 LYS 17 HZ2 LYS 17 -4.180 1.269 3.614
127 HZ3 LYS 17 HZ3 LYS 17 -5.421 1.202 2.512
128 H ARG 18 H ARG 18 1.674 2.018 2.155
129 HA ARG 18 HA ARG 18 1.705 3.188 4.884
130 HB2 ARG 18 HB2 ARG 18 3.966 2.513 2.932
131 HB3 ARG 18 HB3 ARG 18 4.216 3.379 4.441
132 HG2 ARG 18 HG2 ARG 18 3.073 0.540 4.326
133 HG3 ARG 18 HG3 ARG 18 4.770 0.924 4.439
134 HD2 ARG 18 HD2 ARG 18 4.399 2.140 6.555
135 HD3 ARG 18 HD3 ARG 18 2.656 1.907 6.420
136 HE ARG 18 HE ARG 18 4.702 -0.207 6.909
137 HH11 ARG 18 HH11 ARG 18 1.228 0.472 6.618
138 HH12 ARG 18 HH12 ARG 18 0.773 -0.999 7.397
139 HH21 ARG 18 HH21 ARG 18 4.097 -1.949 8.155
140 HH22 ARG 18 HH22 ARG 18 2.417 -2.303 8.463
141 H MET 19 H MET 19 3.177 5.301 4.560
142 HA MET 19 HA MET 19 2.478 6.731 2.120
143 HB2 MET 19 HB2 MET 19 0.606 7.261 3.675
144 HB3 MET 19 HB3 MET 19 1.788 7.799 4.891
145 HG2 MET 19 HG2 MET 19 2.661 9.461 3.259
146 HG3 MET 19 HG3 MET 19 1.416 8.981 2.102
147 HE1 MET 19 HE1 MET 19 -1.829 10.461 3.581
148 HE2 MET 19 HE2 MET 19 -1.024 9.821 2.136
149 HE3 MET 19 HE3 MET 19 -1.248 8.781 3.561
150 H GLU 20 H GLU 20 4.112 8.064 1.562
151 HA GLU 20 HA GLU 20 6.671 7.770 2.923
152 HB2 GLU 20 HB2 GLU 20 5.601 9.278 0.497
153 HB3 GLU 20 HB3 GLU 20 7.114 9.822 1.199
154 HG2 GLU 20 HG2 GLU 20 6.552 7.035 0.152
155 HG3 GLU 20 HG3 GLU 20 7.546 8.283 -0.617
156 H ARG 21 H ARG 21 7.326 9.024 4.684
157 HA ARG 21 HA ARG 21 5.569 11.172 5.547
158 HB2 ARG 21 HB2 ARG 21 6.861 9.853 7.167
159 HB3 ARG 21 HB3 ARG 21 8.385 10.462 6.486
160 HG2 ARG 21 HG2 ARG 21 7.895 12.732 7.184
161 HG3 ARG 21 HG3 ARG 21 6.219 12.308 7.541
162 HD2 ARG 21 HD2 ARG 21 7.343 12.517 9.603
163 HD3 ARG 21 HD3 ARG 21 6.985 10.805 9.361
164 HE ARG 21 HE ARG 21 9.619 11.383 8.370
165 HH11 ARG 21 HH11 ARG 21 7.848 11.404 11.444
166 HH12 ARG 21 HH12 ARG 21 9.216 11.028 12.417
167 HH21 ARG 21 HH21 ARG 21 11.510 10.866 9.699
168 HH22 ARG 21 HH22 ARG 21 11.308 10.837 11.409
169 H SER 22 H SER 22 8.784 11.020 3.958
170 HA SER 22 HA SER 22 9.369 13.726 3.884
171 HB2 SER 22 HB2 SER 22 10.027 11.580 1.835
172 HB3 SER 22 HB3 SER 22 10.903 13.105 2.062
173 HG SER 22 HG SER 22 11.879 12.320 3.738
174 H SER 23 H SER 23 6.856 12.197 1.925
175 HA SER 23 HA SER 23 6.573 14.801 0.545
176 HB2 SER 23 HB2 SER 23 6.515 12.173 -0.963
177 HB3 SER 23 HB3 SER 23 6.200 13.793 -1.625
178 HG SER 23 HG SER 23 8.349 14.308 -0.691
179 H GLY 24 H GLY 24 5.021 12.027 1.961
180 HA2 GLY 24 HA2 GLY 24 2.846 11.805 2.610
181 HA3 GLY 24 HA3 GLY 24 2.488 13.379 1.876
182 H ARG 25 H ARG 25 3.734 10.206 0.718
183 HA ARG 25 HA ARG 25 1.736 10.278 -1.496
184 HB2 ARG 25 HB2 ARG 25 4.232 10.830 -2.027
185 HB3 ARG 25 HB3 ARG 25 4.508 9.112 -1.775
186 HG2 ARG 25 HG2 ARG 25 4.060 9.078 -4.031
187 HG3 ARG 25 HG3 ARG 25 2.411 8.832 -3.425
188 HD2 ARG 25 HD2 ARG 25 2.359 10.478 -5.195
189 HD3 ARG 25 HD3 ARG 25 2.080 11.330 -3.662
190 HE ARG 25 HE ARG 25 4.840 11.104 -4.757
191 HH11 ARG 25 HH11 ARG 25 2.130 13.299 -4.039
192 HH12 ARG 25 HH12 ARG 25 3.187 14.634 -3.676
193 HH21 ARG 25 HH21 ARG 25 6.121 12.908 -4.725
194 HH22 ARG 25 HH22 ARG 25 5.476 14.489 -4.379
195 H VAL 26 H VAL 26 0.441 8.501 -1.378
196 HA VAL 26 HA VAL 26 0.974 6.471 0.625
197 HB VAL 26 HB VAL 26 -1.163 6.526 -1.543
198 HG11 VAL 26 HG11 VAL 26 -2.437 5.124 0.068
199 HG12 VAL 26 HG12 VAL 26 -0.962 4.321 -0.473
200 HG13 VAL 26 HG13 VAL 26 -1.015 5.075 1.135
201 HG21 VAL 26 HG21 VAL 26 -1.337 8.578 -0.221
202 HG22 VAL 26 HG22 VAL 26 -2.617 7.484 0.287
203 HG23 VAL 26 HG23 VAL 26 -1.158 7.655 1.290
204 H TYR 27 H TYR 27 1.617 4.299 0.243
205 HA TYR 27 HA TYR 27 2.110 3.328 -2.443
206 HB2 TYR 27 HB2 TYR 27 4.456 3.142 -2.350
207 HB3 TYR 27 HB3 TYR 27 4.106 4.779 -1.879
208 HD1 TYR 27 HD2 TYR 27 4.352 5.531 0.523
209 HD2 TYR 27 HD1 TYR 27 5.647 1.692 -0.915
210 HE1 TYR 27 HE2 TYR 27 5.912 5.338 2.449
211 HE2 TYR 27 HE1 TYR 27 7.076 1.408 1.046
212 HH TYR 27 HH TYR 27 8.291 2.732 2.531
213 H TYR 28 H TYR 28 3.326 1.039 -2.118
214 HA TYR 28 HA TYR 28 2.081 -0.298 0.239
215 HB2 TYR 28 HB2 TYR 28 2.578 -1.393 -2.553
216 HB3 TYR 28 HB3 TYR 28 1.818 -2.221 -1.207
217 HD1 TYR 28 HD1 TYR 28 -0.195 -0.628 -0.099
218 HD2 TYR 28 HD2 TYR 28 1.055 -0.634 -4.213
219 HE1 TYR 28 HE1 TYR 28 -2.364 0.377 -0.763
220 HE2 TYR 28 HE2 TYR 28 -1.137 0.296 -4.881
221 HH TYR 28 HH TYR 28 -3.806 0.956 -2.542
222 H PHE 29 H PHE 29 3.364 -1.787 1.367
223 HA PHE 29 HA PHE 29 6.245 -2.014 0.590
224 HB2 PHE 29 HB2 PHE 29 5.893 -0.277 2.339
225 HB3 PHE 29 HB3 PHE 29 5.087 -1.463 3.351
226 HD1 PHE 29 HD2 PHE 29 6.444 -3.544 4.153
227 HD2 PHE 29 HD1 PHE 29 8.272 -0.090 2.307
228 HE1 PHE 29 HE2 PHE 29 8.688 -4.259 4.952
229 HE2 PHE 29 HE1 PHE 29 10.478 -0.799 3.143
230 HZ PHE 29 HZ PHE 29 10.693 -2.901 4.465
231 H ASN 30 H ASN 30 6.912 -4.120 0.588
232 HA ASN 30 HA ASN 30 5.102 -6.166 1.714
233 HB2 ASN 30 HB2 ASN 30 5.907 -6.312 -0.618
234 HB3 ASN 30 HB3 ASN 30 7.539 -6.576 -0.020
235 HD21 ASN 30 HD21 ASN 30 6.728 -8.729 -1.498
236 HD22 ASN 30 HD22 ASN 30 6.169 -9.988 -0.441
237 H HIS 31 H HIS 31 5.557 -6.568 3.888
238 HA HIS 31 HA HIS 31 8.276 -6.249 4.890
239 HB2 HIS 31 HB2 HIS 31 7.397 -6.727 7.026
240 HB3 HIS 31 HB3 HIS 31 6.271 -5.674 6.209
241 HD1 HIS 31 HD1 HIS 31 6.526 -9.319 7.465
242 HD2 HIS 31 HD2 HIS 31 3.806 -6.572 5.796
243 HE1 HIS 31 HE1 HIS 31 4.222 -10.328 7.752
244 H ILE 32 H ILE 32 6.725 -8.796 3.261
245 HA ILE 32 HA ILE 32 8.066 -11.023 4.554
246 HB ILE 32 HB ILE 32 6.770 -10.709 1.823
247 HG12 ILE 32 HG12 ILE 32 5.961 -12.330 4.267
248 HG13 ILE 32 HG13 ILE 32 5.341 -10.725 3.899
249 HG21 ILE 32 HG21 ILE 32 6.942 -13.132 1.489
250 HG22 ILE 32 HG22 ILE 32 8.480 -12.313 1.420
251 HG23 ILE 32 HG23 ILE 32 8.028 -13.235 2.889
252 HD11 ILE 32 HD11 ILE 32 4.889 -13.266 2.284
253 HD12 ILE 32 HD12 ILE 32 3.702 -12.308 3.179
254 HD13 ILE 32 HD13 ILE 32 4.452 -11.642 1.709
255 H THR 33 H THR 33 8.844 -8.931 1.770
256 HA THR 33 HA THR 33 11.584 -10.119 1.806
257 HB THR 33 HB THR 33 10.024 -10.884 0.008
258 HG1 THR 33 HG1 THR 33 12.439 -9.742 -0.906
259 HG21 THR 33 HG21 THR 33 9.115 -8.631 -0.617
260 HG22 THR 33 HG22 THR 33 9.721 -9.599 -1.974
261 HG23 THR 33 HG23 THR 33 10.706 -8.263 -1.330
262 H ASN 34 H ASN 34 10.055 -7.471 2.783
263 HA ASN 34 HA ASN 34 10.692 -5.348 3.227
264 HB2 ASN 34 HB2 ASN 34 12.768 -6.741 3.968
265 HB3 ASN 34 HB3 ASN 34 13.529 -6.160 2.495
266 HD21 ASN 34 HD21 ASN 34 12.261 -5.301 5.609
267 HD22 ASN 34 HD22 ASN 34 13.027 -3.747 5.784
268 H ALA 35 H ALA 35 9.568 -5.703 0.836
269 HA ALA 35 HA ALA 35 11.077 -3.997 -1.097
270 HB1 ALA 35 HB1 ALA 35 10.694 -6.202 -1.997
271 HB2 ALA 35 HB2 ALA 35 8.976 -6.163 -1.577
272 HB3 ALA 35 HB3 ALA 35 9.613 -5.084 -2.826
273 H SER 36 H SER 36 9.273 -2.887 -2.654
274 HA SER 36 HA SER 36 6.878 -2.079 -1.388
275 HB2 SER 36 HB2 SER 36 7.584 -0.363 -0.150
276 HB3 SER 36 HB3 SER 36 9.249 -0.696 -0.597
277 HG SER 36 HG SER 36 9.118 1.229 -1.274
278 H GLN 37 H GLN 37 5.546 -0.788 -2.842
279 HA GLN 37 HA GLN 37 6.597 -0.034 -5.428
280 HB2 GLN 37 HB2 GLN 37 4.865 -2.502 -5.046
281 HB3 GLN 37 HB3 GLN 37 4.596 -1.460 -6.455
282 HG2 GLN 37 HG2 GLN 37 7.124 -1.741 -6.925
283 HG3 GLN 37 HG3 GLN 37 7.043 -3.091 -5.782
284 HE21 GLN 37 HE21 GLN 37 6.762 -5.057 -6.833
285 HE22 GLN 37 HE22 GLN 37 5.822 -5.261 -8.307
286 H TRP 38 H TRP 38 4.824 0.996 -6.697
287 HA TRP 38 HA TRP 38 2.919 2.417 -4.911
288 HB2 TRP 38 HB2 TRP 38 3.573 2.913 -7.843
289 HB3 TRP 38 HB3 TRP 38 2.676 3.966 -6.756
290 HD1 TRP 38 HD1 TRP 38 6.155 2.914 -7.717
291 HE1 TRP 38 HE1 TRP 38 7.921 4.365 -6.509
292 HE3 TRP 38 HE3 TRP 38 3.115 5.377 -4.447
293 HZ2 TRP 38 HZ2 TRP 38 7.968 6.463 -4.518
294 HZ3 TRP 38 HZ3 TRP 38 4.054 6.982 -2.826
295 HH2 TRP 38 HH2 TRP 38 6.483 7.568 -2.879
296 H GLU 39 H GLU 39 3.122 0.231 -7.713
297 HA GLU 39 HA GLU 39 0.277 0.287 -8.294
298 HB2 GLU 39 HB2 GLU 39 2.570 -1.531 -9.130
299 HB3 GLU 39 HB3 GLU 39 0.929 -1.636 -9.796
300 HG2 GLU 39 HG2 GLU 39 1.057 0.613 -10.679
301 HG3 GLU 39 HG3 GLU 39 2.609 0.920 -9.904
302 H ARG 40 H ARG 40 -1.197 -1.386 -7.922
303 HA ARG 40 HA ARG 40 -1.242 -2.524 -5.390
304 HB2 ARG 40 HB2 ARG 40 -2.798 -2.933 -7.939
305 HB3 ARG 40 HB3 ARG 40 -3.051 -4.051 -6.595
306 HG2 ARG 40 HG2 ARG 40 -3.710 -2.317 -5.092
307 HG3 ARG 40 HG3 ARG 40 -3.177 -1.043 -6.181
308 HD2 ARG 40 HD2 ARG 40 -5.660 -1.345 -6.130
309 HD3 ARG 40 HD3 ARG 40 -4.937 -1.459 -7.735
310 HE ARG 40 HE ARG 40 -5.138 -4.068 -6.588
311 HH11 ARG 40 HH11 ARG 40 -7.343 -1.559 -7.899
312 HH12 ARG 40 HH12 ARG 40 -8.328 -2.761 -8.677
313 HH21 ARG 40 HH21 ARG 40 -6.597 -5.552 -7.574
314 HH22 ARG 40 HH22 ARG 40 -7.907 -4.978 -8.563
315 HA PRO 41 HA PRO 41 1.461 -6.051 -6.330
316 HB2 PRO 41 HB2 PRO 41 1.799 -6.953 -3.767
317 HB3 PRO 41 HB3 PRO 41 2.596 -5.488 -4.370
318 HG2 PRO 41 HG2 PRO 41 0.032 -5.747 -2.777
319 HG3 PRO 41 HG3 PRO 41 1.385 -4.617 -2.467
320 HD2 PRO 41 HD2 PRO 41 -0.874 -3.883 -3.786
321 HD3 PRO 41 HD3 PRO 41 0.733 -3.200 -4.185
322 H SER 42 H SER 42 1.453 -8.425 -5.357
323 HA SER 42 HA SER 42 -1.173 -9.553 -4.801
324 HB2 SER 42 HB2 SER 42 -0.934 -9.468 -7.336
325 HB3 SER 42 HB3 SER 42 0.475 -10.537 -7.178
326 HG SER 42 HG SER 42 -1.678 -11.556 -7.471
327 H GLY 43 H GLY 43 -0.827 -10.810 -3.181
328 HA2 GLY 43 HA2 GLY 43 1.701 -11.569 -2.065
329 HA3 GLY 43 HA3 GLY 43 0.103 -12.078 -1.517
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -19.587 4.523 -11.314
2 HA2 GLY 1 HA2 GLY 1 -21.659 6.220 -10.046
3 HA3 GLY 1 HA3 GLY 1 -21.521 4.460 -9.836
4 H LEU 2 H LEU 2 -21.464 6.368 -7.663
5 HA LEU 2 HA LEU 2 -18.595 6.348 -6.808
6 HB2 LEU 2 HB2 LEU 2 -20.995 8.014 -6.048
7 HB3 LEU 2 HB3 LEU 2 -19.677 7.820 -4.915
8 HG LEU 2 HG LEU 2 -19.512 9.888 -6.178
9 HD11 LEU 2 HD11 LEU 2 -17.190 8.014 -6.799
10 HD12 LEU 2 HD12 LEU 2 -17.479 8.827 -5.244
11 HD13 LEU 2 HD13 LEU 2 -17.139 9.777 -6.696
12 HD21 LEU 2 HD21 LEU 2 -18.863 8.256 -8.660
13 HD22 LEU 2 HD22 LEU 2 -18.968 10.017 -8.499
14 HD23 LEU 2 HD23 LEU 2 -20.432 9.044 -8.358
15 H GLU 3 H GLU 3 -18.479 4.127 -6.335
16 HA GLU 3 HA GLU 3 -20.318 2.809 -4.511
17 HB2 GLU 3 HB2 GLU 3 -17.554 2.213 -5.610
18 HB3 GLU 3 HB3 GLU 3 -18.240 1.210 -4.326
19 HG2 GLU 3 HG2 GLU 3 -20.134 0.589 -5.704
20 HG3 GLU 3 HG3 GLU 3 -19.609 1.706 -6.976
21 H HIS 4 H HIS 4 -19.656 1.995 -2.375
22 HA HIS 4 HA HIS 4 -17.801 3.803 -0.890
23 HB2 HIS 4 HB2 HIS 4 -20.172 4.401 -0.533
24 HB3 HIS 4 HB3 HIS 4 -20.515 2.748 -0.021
25 HD1 HIS 4 HD1 HIS 4 -18.776 5.948 1.251
26 HD2 HIS 4 HD2 HIS 4 -19.984 2.082 2.457
27 HE1 HIS 4 HE1 HIS 4 -18.772 5.952 3.800
28 H MET 5 H MET 5 -16.389 1.896 -1.696
29 HA MET 5 HA MET 5 -16.021 0.096 0.499
30 HB2 MET 5 HB2 MET 5 -17.830 -1.024 -1.021
31 HB3 MET 5 HB3 MET 5 -16.531 -1.237 -2.179
32 HG2 MET 5 HG2 MET 5 -16.604 -2.277 0.687
33 HG3 MET 5 HG3 MET 5 -16.948 -3.213 -0.769
34 HE1 MET 5 HE1 MET 5 -15.266 -4.443 1.283
35 HE2 MET 5 HE2 MET 5 -15.443 -5.157 -0.332
36 HE3 MET 5 HE3 MET 5 -13.831 -5.014 0.399
37 H ALA 6 H ALA 6 -13.845 0.412 0.660
38 HA ALA 6 HA ALA 6 -12.242 0.710 -1.862
39 HB1 ALA 6 HB1 ALA 6 -11.864 2.074 0.837
40 HB2 ALA 6 HB2 ALA 6 -10.734 2.184 -0.515
41 HB3 ALA 6 HB3 ALA 6 -12.368 2.844 -0.683
42 H ASP 7 H ASP 7 -10.199 -0.231 -1.845
43 HA ASP 7 HA ASP 7 -9.702 -2.288 0.281
44 HB2 ASP 7 HB2 ASP 7 -10.434 -3.215 -1.902
45 HB3 ASP 7 HB3 ASP 7 -9.038 -2.445 -2.670
46 H GLU 8 H GLU 8 -8.480 0.494 -1.326
47 HA GLU 8 HA GLU 8 -5.710 0.090 -1.045
48 HB2 GLU 8 HB2 GLU 8 -5.487 2.405 -1.507
49 HB3 GLU 8 HB3 GLU 8 -6.803 1.806 -2.471
50 HG2 GLU 8 HG2 GLU 8 -8.449 2.879 -1.047
51 HG3 GLU 8 HG3 GLU 8 -7.214 3.325 0.126
52 H GLU 9 H GLU 9 -7.701 -0.055 1.501
53 HA GLU 9 HA GLU 9 -5.763 1.122 3.393
54 HB2 GLU 9 HB2 GLU 9 -8.110 2.290 2.996
55 HB3 GLU 9 HB3 GLU 9 -8.731 0.926 3.914
56 HG2 GLU 9 HG2 GLU 9 -8.393 2.597 5.509
57 HG3 GLU 9 HG3 GLU 9 -7.049 1.515 5.731
58 H LYS 10 H LYS 10 -6.921 -1.760 2.180
59 HA LYS 10 HA LYS 10 -6.540 -3.216 4.758
60 HB2 LYS 10 HB2 LYS 10 -8.598 -3.847 2.637
61 HB3 LYS 10 HB3 LYS 10 -8.257 -4.838 4.057
62 HG2 LYS 10 HG2 LYS 10 -9.149 -3.224 5.571
63 HG3 LYS 10 HG3 LYS 10 -9.286 -1.980 4.323
64 HD2 LYS 10 HD2 LYS 10 -10.887 -4.581 4.406
65 HD3 LYS 10 HD3 LYS 10 -11.476 -2.957 4.845
66 HE2 LYS 10 HE2 LYS 10 -10.727 -2.193 2.533
67 HE3 LYS 10 HE3 LYS 10 -10.470 -3.890 2.112
68 HZ1 LYS 10 HZ1 LYS 10 -12.645 -2.998 1.445
69 HZ2 LYS 10 HZ2 LYS 10 -13.069 -2.788 3.013
70 HZ3 LYS 10 HZ3 LYS 10 -12.782 -4.309 2.463
71 H LEU 11 H LEU 11 -4.516 -2.720 3.474
72 HA LEU 11 HA LEU 11 -3.840 -3.976 1.138
73 HB2 LEU 11 HB2 LEU 11 -2.227 -3.204 3.581
74 HB3 LEU 11 HB3 LEU 11 -1.419 -4.065 2.294
75 HG LEU 11 HG LEU 11 -1.140 -1.656 2.109
76 HD11 LEU 11 HD11 LEU 11 -0.952 -2.880 0.076
77 HD12 LEU 11 HD12 LEU 11 -1.836 -1.389 -0.304
78 HD13 LEU 11 HD13 LEU 11 -2.717 -2.875 -0.201
79 HD21 LEU 11 HD21 LEU 11 -3.396 -1.016 3.053
80 HD22 LEU 11 HD22 LEU 11 -4.114 -1.416 1.457
81 HD23 LEU 11 HD23 LEU 11 -2.949 -0.126 1.619
82 HA PRO 12 HA PRO 12 -3.864 -8.252 1.692
83 HB2 PRO 12 HB2 PRO 12 -1.675 -8.986 0.068
84 HB3 PRO 12 HB3 PRO 12 -3.356 -8.680 -0.506
85 HG2 PRO 12 HG2 PRO 12 -0.932 -6.951 -0.635
86 HG3 PRO 12 HG3 PRO 12 -2.339 -7.007 -1.735
87 HD2 PRO 12 HD2 PRO 12 -1.886 -5.084 0.221
88 HD3 PRO 12 HD3 PRO 12 -3.495 -5.462 -0.457
89 HA PRO 13 HA PRO 13 -0.973 -9.772 4.594
90 HB2 PRO 13 HB2 PRO 13 -0.301 -12.328 3.715
91 HB3 PRO 13 HB3 PRO 13 -1.837 -11.887 4.537
92 HG2 PRO 13 HG2 PRO 13 -1.333 -12.160 1.559
93 HG3 PRO 13 HG3 PRO 13 -2.718 -12.777 2.535
94 HD2 PRO 13 HD2 PRO 13 -2.930 -10.518 1.137
95 HD3 PRO 13 HD3 PRO 13 -3.655 -10.621 2.772
96 H GLY 14 H GLY 14 0.979 -9.236 4.874
97 HA2 GLY 14 HA2 GLY 14 3.357 -9.346 4.609
98 HA3 GLY 14 HA3 GLY 14 3.135 -9.647 2.882
99 H TRP 15 H TRP 15 1.116 -7.375 2.666
100 HA TRP 15 HA TRP 15 3.170 -5.324 2.259
101 HB2 TRP 15 HB2 TRP 15 0.277 -5.564 1.398
102 HB3 TRP 15 HB3 TRP 15 1.310 -4.208 1.032
103 HD1 TRP 15 HD1 TRP 15 1.062 -7.997 0.182
104 HE1 TRP 15 HE1 TRP 15 2.251 -8.385 -2.026
105 HE3 TRP 15 HE3 TRP 15 3.240 -3.430 -0.258
106 HZ2 TRP 15 HZ2 TRP 15 3.962 -6.778 -3.869
107 HZ3 TRP 15 HZ3 TRP 15 4.633 -2.865 -2.233
108 HH2 TRP 15 HH2 TRP 15 5.010 -4.566 -4.027
109 H GLU 16 H GLU 16 3.012 -3.266 3.020
110 HA GLU 16 HA GLU 16 1.077 -2.529 5.150
111 HB2 GLU 16 HB2 GLU 16 4.137 -2.483 5.131
112 HB3 GLU 16 HB3 GLU 16 3.187 -1.485 6.220
113 HG2 GLU 16 HG2 GLU 16 2.257 -4.229 6.449
114 HG3 GLU 16 HG3 GLU 16 4.015 -4.200 6.575
115 H LYS 17 H LYS 17 0.226 -0.550 4.690
116 HA LYS 17 HA LYS 17 1.309 1.089 2.508
117 HB2 LYS 17 HB2 LYS 17 -1.069 0.876 2.895
118 HB3 LYS 17 HB3 LYS 17 -0.901 1.425 4.570
119 HG2 LYS 17 HG2 LYS 17 -0.182 3.678 3.772
120 HG3 LYS 17 HG3 LYS 17 -0.410 3.160 2.093
121 HD2 LYS 17 HD2 LYS 17 -2.800 2.701 2.532
122 HD3 LYS 17 HD3 LYS 17 -2.558 3.002 4.262
123 HE2 LYS 17 HE2 LYS 17 -2.133 5.337 3.918
124 HE3 LYS 17 HE3 LYS 17 -2.198 5.123 2.147
125 HZ1 LYS 17 HZ1 LYS 17 -4.441 4.671 2.228
126 HZ2 LYS 17 HZ2 LYS 17 -4.262 5.971 3.209
127 HZ3 LYS 17 HZ3 LYS 17 -4.502 4.463 3.863
128 H ARG 18 H ARG 18 2.863 2.621 2.764
129 HA ARG 18 HA ARG 18 3.316 3.727 5.471
130 HB2 ARG 18 HB2 ARG 18 5.558 2.662 3.696
131 HB3 ARG 18 HB3 ARG 18 5.741 3.491 5.244
132 HG2 ARG 18 HG2 ARG 18 4.128 1.482 6.064
133 HG3 ARG 18 HG3 ARG 18 4.844 0.681 4.657
134 HD2 ARG 18 HD2 ARG 18 7.095 1.212 5.591
135 HD3 ARG 18 HD3 ARG 18 6.330 1.950 6.998
136 HE ARG 18 HE ARG 18 5.301 -0.177 7.579
137 HH11 ARG 18 HH11 ARG 18 8.310 -0.399 5.600
138 HH12 ARG 18 HH12 ARG 18 8.458 -2.083 5.925
139 HH21 ARG 18 HH21 ARG 18 5.569 -2.428 7.876
140 HH22 ARG 18 HH22 ARG 18 7.027 -3.181 7.284
141 H MET 19 H MET 19 5.111 5.553 5.158
142 HA MET 19 HA MET 19 4.451 7.105 2.755
143 HB2 MET 19 HB2 MET 19 3.030 7.700 4.717
144 HB3 MET 19 HB3 MET 19 4.488 8.073 5.644
145 HG2 MET 19 HG2 MET 19 5.042 9.851 4.143
146 HG3 MET 19 HG3 MET 19 3.687 9.442 3.061
147 HE1 MET 19 HE1 MET 19 1.825 12.554 4.379
148 HE2 MET 19 HE2 MET 19 3.512 12.507 3.858
149 HE3 MET 19 HE3 MET 19 2.280 11.555 2.984
150 H GLU 20 H GLU 20 6.180 8.225 1.965
151 HA GLU 20 HA GLU 20 8.817 7.318 2.634
152 HB2 GLU 20 HB2 GLU 20 7.892 9.555 0.775
153 HB3 GLU 20 HB3 GLU 20 9.530 8.901 0.905
154 HG2 GLU 20 HG2 GLU 20 8.084 6.594 0.477
155 HG3 GLU 20 HG3 GLU 20 7.113 7.752 -0.428
156 H ARG 21 H ARG 21 9.781 8.054 4.541
157 HA ARG 21 HA ARG 21 9.044 10.447 5.823
158 HB2 ARG 21 HB2 ARG 21 10.833 10.113 7.325
159 HB3 ARG 21 HB3 ARG 21 10.231 8.526 6.866
160 HG2 ARG 21 HG2 ARG 21 12.188 8.443 5.160
161 HG3 ARG 21 HG3 ARG 21 12.807 9.891 5.976
162 HD2 ARG 21 HD2 ARG 21 13.926 8.005 6.940
163 HD3 ARG 21 HD3 ARG 21 12.800 8.613 8.148
164 HE ARG 21 HE ARG 21 11.554 6.663 8.004
165 HH11 ARG 21 HH11 ARG 21 14.117 6.437 5.527
166 HH12 ARG 21 HH12 ARG 21 13.470 4.962 4.882
167 HH21 ARG 21 HH21 ARG 21 10.952 4.644 7.287
168 HH22 ARG 21 HH22 ARG 21 11.711 3.927 5.873
169 H SER 22 H SER 22 11.333 9.994 3.234
170 HA SER 22 HA SER 22 12.908 12.290 3.403
171 HB2 SER 22 HB2 SER 22 13.311 10.400 1.895
172 HB3 SER 22 HB3 SER 22 11.851 10.789 0.971
173 HG SER 22 HG SER 22 14.365 11.988 0.967
174 H SER 23 H SER 23 9.818 11.984 1.478
175 HA SER 23 HA SER 23 9.610 14.970 1.640
176 HB2 SER 23 HB2 SER 23 8.720 13.116 -0.584
177 HB3 SER 23 HB3 SER 23 8.540 14.882 -0.541
178 HG SER 23 HG SER 23 10.313 14.603 -1.643
179 H GLY 24 H GLY 24 7.764 11.910 1.817
180 HA2 GLY 24 HA2 GLY 24 5.915 11.750 3.321
181 HA3 GLY 24 HA3 GLY 24 5.474 13.416 2.966
182 H ARG 25 H ARG 25 6.139 10.415 0.969
183 HA ARG 25 HA ARG 25 3.650 10.980 -0.563
184 HB2 ARG 25 HB2 ARG 25 5.862 11.210 -1.796
185 HB3 ARG 25 HB3 ARG 25 6.169 9.521 -1.448
186 HG2 ARG 25 HG2 ARG 25 5.349 9.402 -3.554
187 HG3 ARG 25 HG3 ARG 25 3.856 9.101 -2.661
188 HD2 ARG 25 HD2 ARG 25 4.678 11.869 -3.618
189 HD3 ARG 25 HD3 ARG 25 3.881 10.713 -4.700
190 HE ARG 25 HE ARG 25 2.208 10.737 -2.542
191 HH11 ARG 25 HH11 ARG 25 3.309 13.132 -4.937
192 HH12 ARG 25 HH12 ARG 25 2.033 14.240 -4.587
193 HH21 ARG 25 HH21 ARG 25 0.486 12.071 -2.216
194 HH22 ARG 25 HH22 ARG 25 0.271 13.533 -3.143
195 H VAL 26 H VAL 26 2.193 9.262 -0.495
196 HA VAL 26 HA VAL 26 2.830 7.116 1.406
197 HB VAL 26 HB VAL 26 0.218 7.560 -0.067
198 HG11 VAL 26 HG11 VAL 26 0.463 5.342 1.062
199 HG12 VAL 26 HG12 VAL 26 0.903 6.171 2.587
200 HG13 VAL 26 HG13 VAL 26 -0.708 6.369 1.878
201 HG21 VAL 26 HG21 VAL 26 1.172 8.679 2.609
202 HG22 VAL 26 HG22 VAL 26 0.749 9.621 1.169
203 HG23 VAL 26 HG23 VAL 26 -0.504 8.723 2.029
204 H TYR 27 H TYR 27 2.814 4.861 0.883
205 HA TYR 27 HA TYR 27 2.652 3.939 -1.845
206 HB2 TYR 27 HB2 TYR 27 4.926 3.368 -2.222
207 HB3 TYR 27 HB3 TYR 27 4.940 5.034 -1.713
208 HD1 TYR 27 HD2 TYR 27 5.457 5.599 0.764
209 HD2 TYR 27 HD1 TYR 27 6.324 1.822 -1.095
210 HE1 TYR 27 HE2 TYR 27 7.073 5.113 2.546
211 HE2 TYR 27 HE1 TYR 27 7.909 1.278 0.733
212 HH TYR 27 HH TYR 27 8.614 3.613 3.375
213 H TYR 28 H TYR 28 3.641 1.462 -1.661
214 HA TYR 28 HA TYR 28 2.663 0.329 0.928
215 HB2 TYR 28 HB2 TYR 28 2.435 -0.910 -1.832
216 HB3 TYR 28 HB3 TYR 28 1.807 -1.548 -0.327
217 HD1 TYR 28 HD1 TYR 28 0.180 0.176 0.999
218 HD2 TYR 28 HD2 TYR 28 0.941 0.237 -3.228
219 HE1 TYR 28 HE1 TYR 28 -1.932 1.426 0.656
220 HE2 TYR 28 HE2 TYR 28 -1.200 1.398 -3.609
221 HH TYR 28 HH TYR 28 -2.904 2.596 -2.576
222 H PHE 29 H PHE 29 3.904 -1.364 1.800
223 HA PHE 29 HA PHE 29 6.492 -1.991 0.433
224 HB2 PHE 29 HB2 PHE 29 6.796 -0.266 2.197
225 HB3 PHE 29 HB3 PHE 29 6.056 -1.342 3.373
226 HD1 PHE 29 HD2 PHE 29 7.207 -3.615 3.890
227 HD2 PHE 29 HD1 PHE 29 9.123 -0.466 1.612
228 HE1 PHE 29 HE2 PHE 29 9.412 -4.663 4.238
229 HE2 PHE 29 HE1 PHE 29 11.317 -1.568 1.997
230 HZ PHE 29 HZ PHE 29 11.459 -3.630 3.314
231 H ASN 30 H ASN 30 6.831 -4.088 0.308
232 HA ASN 30 HA ASN 30 5.082 -5.992 1.801
233 HB2 ASN 30 HB2 ASN 30 5.341 -6.129 -0.688
234 HB3 ASN 30 HB3 ASN 30 7.001 -6.645 -0.443
235 HD21 ASN 30 HD21 ASN 30 5.478 -8.514 -1.760
236 HD22 ASN 30 HD22 ASN 30 4.964 -9.774 -0.654
237 H HIS 31 H HIS 31 5.968 -6.551 3.786
238 HA HIS 31 HA HIS 31 8.847 -6.567 4.211
239 HB2 HIS 31 HB2 HIS 31 8.356 -7.263 6.433
240 HB3 HIS 31 HB3 HIS 31 7.161 -6.056 5.970
241 HD1 HIS 31 HD1 HIS 31 7.333 -9.954 6.429
242 HD2 HIS 31 HD2 HIS 31 4.677 -6.680 6.200
243 HE1 HIS 31 HE1 HIS 31 5.079 -10.812 7.174
244 H ILE 32 H ILE 32 6.717 -8.896 2.921
245 HA ILE 32 HA ILE 32 8.095 -11.275 3.802
246 HB ILE 32 HB ILE 32 6.245 -10.776 1.438
247 HG12 ILE 32 HG12 ILE 32 5.859 -11.940 4.223
248 HG13 ILE 32 HG13 ILE 32 5.214 -10.419 3.635
249 HG21 ILE 32 HG21 ILE 32 7.306 -13.427 2.463
250 HG22 ILE 32 HG22 ILE 32 6.012 -13.210 1.266
251 HG23 ILE 32 HG23 ILE 32 7.605 -12.652 0.874
252 HD11 ILE 32 HD11 ILE 32 3.803 -11.724 1.995
253 HD12 ILE 32 HD12 ILE 32 4.350 -13.219 2.807
254 HD13 ILE 32 HD13 ILE 32 3.424 -12.013 3.706
255 H THR 33 H THR 33 8.424 -9.170 0.950
256 HA THR 33 HA THR 33 10.985 -10.617 0.368
257 HB THR 33 HB THR 33 9.164 -11.364 -1.071
258 HG1 THR 33 HG1 THR 33 10.368 -11.511 -2.758
259 HG21 THR 33 HG21 THR 33 8.310 -10.011 -2.863
260 HG22 THR 33 HG22 THR 33 9.282 -8.630 -2.315
261 HG23 THR 33 HG23 THR 33 7.936 -9.223 -1.326
262 H ASN 34 H ASN 34 9.969 -7.880 1.697
263 HA ASN 34 HA ASN 34 10.873 -5.835 1.993
264 HB2 ASN 34 HB2 ASN 34 12.913 -7.130 2.427
265 HB3 ASN 34 HB3 ASN 34 13.386 -7.041 0.752
266 HD21 ASN 34 HD21 ASN 34 13.369 -5.349 3.822
267 HD22 ASN 34 HD22 ASN 34 14.135 -3.881 3.209
268 H ALA 35 H ALA 35 9.314 -6.480 -0.363
269 HA ALA 35 HA ALA 35 10.367 -4.752 -2.535
270 HB1 ALA 35 HB1 ALA 35 9.392 -6.773 -3.356
271 HB2 ALA 35 HB2 ALA 35 7.949 -6.610 -2.342
272 HB3 ALA 35 HB3 ALA 35 8.216 -5.516 -3.702
273 H SER 36 H SER 36 8.414 -3.344 -3.504
274 HA SER 36 HA SER 36 6.654 -2.146 -1.642
275 HB2 SER 36 HB2 SER 36 7.762 -0.025 -1.488
276 HB3 SER 36 HB3 SER 36 8.943 -1.276 -1.118
277 HG SER 36 HG SER 36 9.934 0.147 -2.542
278 H GLN 37 H GLN 37 5.213 -0.659 -2.792
279 HA GLN 37 HA GLN 37 5.776 -0.087 -5.544
280 HB2 GLN 37 HB2 GLN 37 3.684 -2.159 -4.693
281 HB3 GLN 37 HB3 GLN 37 3.409 -1.169 -6.124
282 HG2 GLN 37 HG2 GLN 37 5.712 -2.028 -6.945
283 HG3 GLN 37 HG3 GLN 37 5.536 -3.279 -5.713
284 HE21 GLN 37 HE21 GLN 37 4.787 -2.453 -8.914
285 HE22 GLN 37 HE22 GLN 37 3.313 -3.369 -9.128
286 H TRP 38 H TRP 38 3.996 1.262 -6.463
287 HA TRP 38 HA TRP 38 2.728 2.944 -4.380
288 HB2 TRP 38 HB2 TRP 38 2.843 3.411 -7.381
289 HB3 TRP 38 HB3 TRP 38 2.461 4.572 -6.102
290 HD1 TRP 38 HD1 TRP 38 5.344 2.808 -7.784
291 HE1 TRP 38 HE1 TRP 38 7.565 3.887 -7.087
292 HE3 TRP 38 HE3 TRP 38 3.651 5.856 -4.026
293 HZ2 TRP 38 HZ2 TRP 38 8.483 5.907 -5.246
294 HZ3 TRP 38 HZ3 TRP 38 5.245 7.237 -2.745
295 HH2 TRP 38 HH2 TRP 38 7.643 7.352 -3.401
296 H GLU 39 H GLU 39 1.956 0.717 -7.019
297 HA GLU 39 HA GLU 39 -0.886 1.295 -7.090
298 HB2 GLU 39 HB2 GLU 39 -0.879 -0.715 -8.583
299 HB3 GLU 39 HB3 GLU 39 0.224 0.570 -9.073
300 HG2 GLU 39 HG2 GLU 39 2.156 -0.684 -8.176
301 HG3 GLU 39 HG3 GLU 39 1.076 -1.942 -7.572
302 H ARG 40 H ARG 40 -2.515 -0.171 -6.423
303 HA ARG 40 HA ARG 40 -2.180 -1.267 -3.839
304 HB2 ARG 40 HB2 ARG 40 -4.304 -1.431 -5.968
305 HB3 ARG 40 HB3 ARG 40 -4.334 -2.624 -4.672
306 HG2 ARG 40 HG2 ARG 40 -4.477 -0.911 -2.962
307 HG3 ARG 40 HG3 ARG 40 -4.302 0.363 -4.169
308 HD2 ARG 40 HD2 ARG 40 -6.708 -0.008 -3.546
309 HD3 ARG 40 HD3 ARG 40 -6.386 -0.321 -5.249
310 HE ARG 40 HE ARG 40 -6.416 -2.531 -3.251
311 HH11 ARG 40 HH11 ARG 40 -8.035 -1.073 -6.112
312 HH12 ARG 40 HH12 ARG 40 -8.705 -2.596 -6.600
313 HH21 ARG 40 HH21 ARG 40 -7.554 -4.444 -3.873
314 HH22 ARG 40 HH22 ARG 40 -8.321 -4.504 -5.458
315 HA PRO 41 HA PRO 41 -0.208 -5.099 -5.305
316 HB2 PRO 41 HB2 PRO 41 0.288 -6.201 -2.845
317 HB3 PRO 41 HB3 PRO 41 1.284 -4.936 -3.625
318 HG2 PRO 41 HG2 PRO 41 -0.839 -4.656 -1.524
319 HG3 PRO 41 HG3 PRO 41 0.737 -3.825 -1.579
320 HD2 PRO 41 HD2 PRO 41 -1.617 -2.655 -2.368
321 HD3 PRO 41 HD3 PRO 41 -0.035 -2.265 -3.108
322 H SER 42 H SER 42 -0.623 -7.460 -4.764
323 HA SER 42 HA SER 42 -3.305 -8.075 -3.763
324 HB2 SER 42 HB2 SER 42 -3.461 -7.349 -6.197
325 HB3 SER 42 HB3 SER 42 -2.410 -8.691 -6.636
326 HG SER 42 HG SER 42 -4.000 -10.102 -6.009
327 H GLY 43 H GLY 43 -1.783 -8.949 -2.178
328 HA2 GLY 43 HA2 GLY 43 -0.554 -10.599 -1.129
329 HA3 GLY 43 HA3 GLY 43 -1.436 -11.707 -2.199
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -17.990 13.050 -4.810
2 HA2 GLY 1 HA2 GLY 1 -16.267 11.658 -6.001
3 HA3 GLY 1 HA3 GLY 1 -15.280 11.894 -4.542
4 H LEU 2 H LEU 2 -15.438 9.427 -4.480
5 HA LEU 2 HA LEU 2 -17.860 8.045 -4.157
6 HB2 LEU 2 HB2 LEU 2 -15.042 7.490 -3.118
7 HB3 LEU 2 HB3 LEU 2 -16.365 6.398 -2.811
8 HG LEU 2 HG LEU 2 -15.070 5.543 -4.592
9 HD11 LEU 2 HD11 LEU 2 -16.762 5.120 -6.250
10 HD12 LEU 2 HD12 LEU 2 -17.660 6.578 -5.805
11 HD13 LEU 2 HD13 LEU 2 -17.543 5.206 -4.673
12 HD21 LEU 2 HD21 LEU 2 -15.676 8.000 -6.278
13 HD22 LEU 2 HD22 LEU 2 -14.695 6.595 -6.711
14 HD23 LEU 2 HD23 LEU 2 -14.130 7.689 -5.442
15 H GLU 3 H GLU 3 -18.849 7.126 -2.356
16 HA GLU 3 HA GLU 3 -18.379 8.385 0.297
17 HB2 GLU 3 HB2 GLU 3 -20.689 8.769 0.663
18 HB3 GLU 3 HB3 GLU 3 -20.239 9.608 -0.812
19 HG2 GLU 3 HG2 GLU 3 -21.421 8.082 -2.196
20 HG3 GLU 3 HG3 GLU 3 -21.485 6.833 -0.950
21 H HIS 4 H HIS 4 -18.240 5.599 -1.342
22 HA HIS 4 HA HIS 4 -19.433 3.892 0.790
23 HB2 HIS 4 HB2 HIS 4 -18.770 3.271 -2.122
24 HB3 HIS 4 HB3 HIS 4 -19.449 2.147 -0.954
25 HD1 HIS 4 HD1 HIS 4 -20.517 4.888 -3.372
26 HD2 HIS 4 HD2 HIS 4 -22.044 2.685 -0.099
27 HE1 HIS 4 HE1 HIS 4 -23.035 5.102 -3.482
28 H MET 5 H MET 5 -18.024 2.439 1.769
29 HA MET 5 HA MET 5 -15.194 3.067 1.571
30 HB2 MET 5 HB2 MET 5 -16.670 0.855 3.062
31 HB3 MET 5 HB3 MET 5 -14.940 1.207 3.226
32 HG2 MET 5 HG2 MET 5 -17.202 3.133 3.885
33 HG3 MET 5 HG3 MET 5 -16.223 2.237 5.048
34 HE1 MET 5 HE1 MET 5 -16.720 5.558 4.879
35 HE2 MET 5 HE2 MET 5 -15.983 4.650 6.215
36 HE3 MET 5 HE3 MET 5 -15.129 6.025 5.496
37 H ALA 6 H ALA 6 -13.557 1.166 1.265
38 HA ALA 6 HA ALA 6 -14.429 -0.564 -1.006
39 HB1 ALA 6 HB1 ALA 6 -12.328 0.006 -2.123
40 HB2 ALA 6 HB2 ALA 6 -13.264 1.466 -1.818
41 HB3 ALA 6 HB3 ALA 6 -11.869 1.082 -0.791
42 H ASP 7 H ASP 7 -13.802 -2.683 -0.769
43 HA ASP 7 HA ASP 7 -12.340 -3.423 1.667
44 HB2 ASP 7 HB2 ASP 7 -12.817 -5.716 1.126
45 HB3 ASP 7 HB3 ASP 7 -14.292 -4.749 1.106
46 H GLU 8 H GLU 8 -11.881 -3.168 -1.754
47 HA GLU 8 HA GLU 8 -9.448 -4.494 -2.128
48 HB2 GLU 8 HB2 GLU 8 -9.425 -3.131 -4.182
49 HB3 GLU 8 HB3 GLU 8 -10.983 -3.904 -3.899
50 HG2 GLU 8 HG2 GLU 8 -12.007 -1.863 -3.273
51 HG3 GLU 8 HG3 GLU 8 -10.447 -1.028 -3.096
52 H GLU 9 H GLU 9 -9.967 -1.927 -0.145
53 HA GLU 9 HA GLU 9 -7.489 -0.436 -0.569
54 HB2 GLU 9 HB2 GLU 9 -9.682 0.561 0.089
55 HB3 GLU 9 HB3 GLU 9 -9.585 -0.301 1.630
56 HG2 GLU 9 HG2 GLU 9 -8.951 2.113 1.683
57 HG3 GLU 9 HG3 GLU 9 -7.747 1.025 2.350
58 H LYS 10 H LYS 10 -8.478 -3.347 1.127
59 HA LYS 10 HA LYS 10 -6.361 -3.188 3.166
60 HB2 LYS 10 HB2 LYS 10 -8.482 -5.272 2.436
61 HB3 LYS 10 HB3 LYS 10 -7.153 -5.602 3.527
62 HG2 LYS 10 HG2 LYS 10 -8.499 -4.956 5.138
63 HG3 LYS 10 HG3 LYS 10 -8.037 -3.335 4.690
64 HD2 LYS 10 HD2 LYS 10 -10.495 -4.696 3.532
65 HD3 LYS 10 HD3 LYS 10 -10.529 -3.902 5.095
66 HE2 LYS 10 HE2 LYS 10 -9.907 -2.554 2.436
67 HE3 LYS 10 HE3 LYS 10 -11.410 -2.442 3.362
68 HZ1 LYS 10 HZ1 LYS 10 -10.206 -0.529 3.876
69 HZ2 LYS 10 HZ2 LYS 10 -8.781 -1.315 4.136
70 HZ3 LYS 10 HZ3 LYS 10 -10.006 -1.465 5.194
71 H LEU 11 H LEU 11 -4.319 -3.466 2.444
72 HA LEU 11 HA LEU 11 -3.597 -4.683 0.021
73 HB2 LEU 11 HB2 LEU 11 -2.177 -3.822 2.562
74 HB3 LEU 11 HB3 LEU 11 -1.254 -4.716 1.397
75 HG LEU 11 HG LEU 11 -1.019 -2.280 1.140
76 HD11 LEU 11 HD11 LEU 11 -2.343 -3.616 -1.259
77 HD12 LEU 11 HD12 LEU 11 -0.616 -3.637 -0.805
78 HD13 LEU 11 HD13 LEU 11 -1.412 -2.147 -1.320
79 HD21 LEU 11 HD21 LEU 11 -2.850 -0.864 0.319
80 HD22 LEU 11 HD22 LEU 11 -3.345 -1.622 1.823
81 HD23 LEU 11 HD23 LEU 11 -3.939 -2.203 0.241
82 HA PRO 12 HA PRO 12 -3.431 -9.028 0.759
83 HB2 PRO 12 HB2 PRO 12 -1.027 -9.683 -0.512
84 HB3 PRO 12 HB3 PRO 12 -2.612 -9.466 -1.343
85 HG2 PRO 12 HG2 PRO 12 -0.245 -7.647 -1.084
86 HG3 PRO 12 HG3 PRO 12 -1.373 -7.798 -2.465
87 HD2 PRO 12 HD2 PRO 12 -1.424 -5.770 -0.604
88 HD3 PRO 12 HD3 PRO 12 -2.871 -6.304 -1.494
89 HA PRO 13 HA PRO 13 -0.697 -10.197 3.990
90 HB2 PRO 13 HB2 PRO 13 0.329 -12.683 3.276
91 HB3 PRO 13 HB3 PRO 13 -1.331 -12.410 3.895
92 HG2 PRO 13 HG2 PRO 13 -0.428 -12.581 0.999
93 HG3 PRO 13 HG3 PRO 13 -1.814 -13.415 1.764
94 HD2 PRO 13 HD2 PRO 13 -2.247 -11.222 0.395
95 HD3 PRO 13 HD3 PRO 13 -3.060 -11.400 1.956
96 H GLY 14 H GLY 14 1.255 -9.896 4.491
97 HA2 GLY 14 HA2 GLY 14 3.582 -9.553 4.518
98 HA3 GLY 14 HA3 GLY 14 3.640 -9.959 2.807
99 H TRP 15 H TRP 15 1.586 -7.924 2.033
100 HA TRP 15 HA TRP 15 3.474 -5.697 1.850
101 HB2 TRP 15 HB2 TRP 15 0.742 -6.150 0.642
102 HB3 TRP 15 HB3 TRP 15 1.700 -4.713 0.396
103 HD1 TRP 15 HD1 TRP 15 1.828 -8.486 -0.447
104 HE1 TRP 15 HE1 TRP 15 3.473 -8.836 -2.362
105 HE3 TRP 15 HE3 TRP 15 3.703 -3.765 -0.722
106 HZ2 TRP 15 HZ2 TRP 15 5.395 -7.242 -3.855
107 HZ3 TRP 15 HZ3 TRP 15 5.389 -3.170 -2.440
108 HH2 TRP 15 HH2 TRP 15 6.287 -4.912 -3.989
109 H GLU 16 H GLU 16 3.068 -3.594 2.500
110 HA GLU 16 HA GLU 16 0.865 -3.023 4.429
111 HB2 GLU 16 HB2 GLU 16 3.894 -2.788 4.735
112 HB3 GLU 16 HB3 GLU 16 2.800 -1.767 5.663
113 HG2 GLU 16 HG2 GLU 16 2.229 -4.720 5.734
114 HG3 GLU 16 HG3 GLU 16 3.699 -4.158 6.544
115 H LYS 17 H LYS 17 -0.083 -1.124 3.833
116 HA LYS 17 HA LYS 17 1.144 0.558 1.748
117 HB2 LYS 17 HB2 LYS 17 -1.249 0.113 1.772
118 HB3 LYS 17 HB3 LYS 17 -1.405 0.785 3.412
119 HG2 LYS 17 HG2 LYS 17 -0.637 3.022 2.537
120 HG3 LYS 17 HG3 LYS 17 -0.580 2.336 0.908
121 HD2 LYS 17 HD2 LYS 17 -3.024 1.691 1.199
122 HD3 LYS 17 HD3 LYS 17 -3.013 2.539 2.753
123 HE2 LYS 17 HE2 LYS 17 -2.430 4.629 1.679
124 HE3 LYS 17 HE3 LYS 17 -2.288 3.820 0.104
125 HZ1 LYS 17 HZ1 LYS 17 -4.808 4.154 1.656
126 HZ2 LYS 17 HZ2 LYS 17 -4.692 3.195 0.372
127 HZ3 LYS 17 HZ3 LYS 17 -4.457 4.818 0.201
128 H ARG 18 H ARG 18 2.551 2.179 2.253
129 HA ARG 18 HA ARG 18 2.306 3.386 4.937
130 HB2 ARG 18 HB2 ARG 18 4.966 2.544 3.677
131 HB3 ARG 18 HB3 ARG 18 4.748 3.329 5.245
132 HG2 ARG 18 HG2 ARG 18 3.183 1.131 5.625
133 HG3 ARG 18 HG3 ARG 18 4.333 0.466 4.471
134 HD2 ARG 18 HD2 ARG 18 6.179 1.054 5.943
135 HD3 ARG 18 HD3 ARG 18 5.102 1.942 7.023
136 HE ARG 18 HE ARG 18 3.903 -0.449 7.051
137 HH11 ARG 18 HH11 ARG 18 7.170 0.623 7.956
138 HH12 ARG 18 HH12 ARG 18 7.318 -0.538 9.231
139 HH21 ARG 18 HH21 ARG 18 4.198 -2.153 8.537
140 HH22 ARG 18 HH22 ARG 18 5.606 -2.195 9.525
141 H MET 19 H MET 19 4.139 5.272 4.938
142 HA MET 19 HA MET 19 3.820 6.809 2.457
143 HB2 MET 19 HB2 MET 19 1.983 7.458 3.994
144 HB3 MET 19 HB3 MET 19 3.167 7.776 5.275
145 HG2 MET 19 HG2 MET 19 4.149 9.573 3.975
146 HG3 MET 19 HG3 MET 19 3.074 9.230 2.603
147 HE1 MET 19 HE1 MET 19 3.260 12.268 3.818
148 HE2 MET 19 HE2 MET 19 2.276 11.729 2.428
149 HE3 MET 19 HE3 MET 19 1.537 12.650 3.742
150 H GLU 20 H GLU 20 5.640 7.883 1.979
151 HA GLU 20 HA GLU 20 8.098 7.154 3.231
152 HB2 GLU 20 HB2 GLU 20 7.404 9.216 1.099
153 HB3 GLU 20 HB3 GLU 20 9.049 8.799 1.598
154 HG2 GLU 20 HG2 GLU 20 8.536 6.399 0.981
155 HG3 GLU 20 HG3 GLU 20 7.034 6.966 0.255
156 H ARG 21 H ARG 21 8.580 8.031 5.316
157 HA ARG 21 HA ARG 21 7.608 10.639 6.061
158 HB2 ARG 21 HB2 ARG 21 8.210 8.971 7.704
159 HB3 ARG 21 HB3 ARG 21 9.910 9.002 7.203
160 HG2 ARG 21 HG2 ARG 21 10.228 11.215 8.057
161 HG3 ARG 21 HG3 ARG 21 8.503 11.494 8.208
162 HD2 ARG 21 HD2 ARG 21 9.873 9.266 9.769
163 HD3 ARG 21 HD3 ARG 21 9.860 10.924 10.374
164 HE ARG 21 HE ARG 21 7.672 9.065 10.337
165 HH11 ARG 21 HH11 ARG 21 8.513 12.522 10.667
166 HH12 ARG 21 HH12 ARG 21 6.903 13.011 11.031
167 HH21 ARG 21 HH21 ARG 21 5.538 9.766 10.449
168 HH22 ARG 21 HH22 ARG 21 5.146 11.347 11.067
169 H SER 22 H SER 22 10.314 9.614 4.140
170 HA SER 22 HA SER 22 12.110 11.695 4.322
171 HB2 SER 22 HB2 SER 22 11.276 10.207 1.791
172 HB3 SER 22 HB3 SER 22 12.810 11.015 2.097
173 HG SER 22 HG SER 22 13.227 9.005 2.477
174 H SER 23 H SER 23 9.279 11.458 2.088
175 HA SER 23 HA SER 23 9.456 14.407 1.653
176 HB2 SER 23 HB2 SER 23 9.050 12.274 -0.477
177 HB3 SER 23 HB3 SER 23 9.092 14.023 -0.730
178 HG SER 23 HG SER 23 11.243 14.012 0.088
179 H GLY 24 H GLY 24 7.363 11.592 2.085
180 HA2 GLY 24 HA2 GLY 24 5.249 11.761 2.980
181 HA3 GLY 24 HA3 GLY 24 5.057 13.393 2.341
182 H ARG 25 H ARG 25 5.850 10.126 0.833
183 HA ARG 25 HA ARG 25 3.561 10.621 -0.999
184 HB2 ARG 25 HB2 ARG 25 6.014 10.893 -1.874
185 HB3 ARG 25 HB3 ARG 25 6.112 9.148 -1.711
186 HG2 ARG 25 HG2 ARG 25 5.580 9.648 -3.975
187 HG3 ARG 25 HG3 ARG 25 4.156 8.890 -3.265
188 HD2 ARG 25 HD2 ARG 25 2.967 11.001 -3.202
189 HD3 ARG 25 HD3 ARG 25 4.452 11.905 -3.504
190 HE ARG 25 HE ARG 25 4.461 11.373 -5.719
191 HH11 ARG 25 HH11 ARG 25 1.629 9.729 -4.281
192 HH12 ARG 25 HH12 ARG 25 0.686 9.799 -5.711
193 HH21 ARG 25 HH21 ARG 25 3.366 11.070 -7.717
194 HH22 ARG 25 HH22 ARG 25 1.833 10.256 -7.745
195 H VAL 26 H VAL 26 2.165 8.849 -1.133
196 HA VAL 26 HA VAL 26 2.520 6.772 0.894
197 HB VAL 26 HB VAL 26 0.355 6.860 -1.193
198 HG11 VAL 26 HG11 VAL 26 0.324 5.853 1.677
199 HG12 VAL 26 HG12 VAL 26 -1.024 5.816 0.520
200 HG13 VAL 26 HG13 VAL 26 0.412 4.827 0.228
201 HG21 VAL 26 HG21 VAL 26 -0.996 8.164 0.473
202 HG22 VAL 26 HG22 VAL 26 0.508 8.430 1.401
203 HG23 VAL 26 HG23 VAL 26 0.305 9.099 -0.241
204 H TYR 27 H TYR 27 2.649 4.452 0.366
205 HA TYR 27 HA TYR 27 3.075 3.571 -2.332
206 HB2 TYR 27 HB2 TYR 27 5.394 3.054 -2.226
207 HB3 TYR 27 HB3 TYR 27 5.274 4.744 -1.827
208 HD1 TYR 27 HD2 TYR 27 5.272 5.375 0.752
209 HD2 TYR 27 HD1 TYR 27 6.631 1.613 -0.849
210 HE1 TYR 27 HE2 TYR 27 6.615 4.968 2.812
211 HE2 TYR 27 HE1 TYR 27 7.935 1.210 1.197
212 HH TYR 27 HH TYR 27 8.424 3.679 3.676
213 H TYR 28 H TYR 28 4.084 1.157 -2.022
214 HA TYR 28 HA TYR 28 2.761 -0.086 0.356
215 HB2 TYR 28 HB2 TYR 28 3.114 -1.166 -2.450
216 HB3 TYR 28 HB3 TYR 28 2.326 -1.987 -1.102
217 HD1 TYR 28 HD1 TYR 28 0.400 -0.504 0.064
218 HD2 TYR 28 HD2 TYR 28 1.657 -0.186 -4.034
219 HE1 TYR 28 HE1 TYR 28 -1.728 0.608 -0.469
220 HE2 TYR 28 HE2 TYR 28 -0.509 0.906 -4.605
221 HH TYR 28 HH TYR 28 -3.086 1.443 -2.207
222 H PHE 29 H PHE 29 3.996 -1.705 1.422
223 HA PHE 29 HA PHE 29 6.774 -2.171 0.403
224 HB2 PHE 29 HB2 PHE 29 6.679 -0.380 2.165
225 HB3 PHE 29 HB3 PHE 29 5.987 -1.554 3.270
226 HD1 PHE 29 HD1 PHE 29 9.059 -0.507 1.467
227 HD2 PHE 29 HD2 PHE 29 7.355 -3.497 4.085
228 HE1 PHE 29 HE1 PHE 29 11.309 -1.331 1.975
229 HE2 PHE 29 HE2 PHE 29 9.633 -4.374 4.520
230 HZ PHE 29 HZ PHE 29 11.602 -3.239 3.521
231 H ASN 30 H ASN 30 7.314 -4.301 0.431
232 HA ASN 30 HA ASN 30 5.453 -6.207 1.788
233 HB2 ASN 30 HB2 ASN 30 6.052 -6.420 -0.676
234 HB3 ASN 30 HB3 ASN 30 7.645 -6.926 -0.174
235 HD21 ASN 30 HD21 ASN 30 6.073 -8.835 -1.586
236 HD22 ASN 30 HD22 ASN 30 5.575 -10.047 -0.432
237 H HIS 31 H HIS 31 6.130 -6.648 3.910
238 HA HIS 31 HA HIS 31 8.949 -6.480 4.580
239 HB2 HIS 31 HB2 HIS 31 8.341 -7.058 6.776
240 HB3 HIS 31 HB3 HIS 31 7.087 -5.982 6.159
241 HD1 HIS 31 HD1 HIS 31 7.631 -9.694 7.085
242 HD2 HIS 31 HD2 HIS 31 4.626 -6.913 6.114
243 HE1 HIS 31 HE1 HIS 31 5.409 -10.899 7.409
244 H ILE 32 H ILE 32 7.129 -8.986 3.081
245 HA ILE 32 HA ILE 32 8.533 -11.258 4.218
246 HB ILE 32 HB ILE 32 6.985 -10.846 1.635
247 HG12 ILE 32 HG12 ILE 32 6.336 -12.209 4.301
248 HG13 ILE 32 HG13 ILE 32 5.688 -10.682 3.731
249 HG21 ILE 32 HG21 ILE 32 8.162 -13.453 2.608
250 HG22 ILE 32 HG22 ILE 32 6.926 -13.308 1.337
251 HG23 ILE 32 HG23 ILE 32 8.498 -12.601 1.094
252 HD11 ILE 32 HD11 ILE 32 4.584 -11.897 1.824
253 HD12 ILE 32 HD12 ILE 32 5.085 -13.427 2.582
254 HD13 ILE 32 HD13 ILE 32 3.991 -12.340 3.440
255 H THR 33 H THR 33 9.123 -9.119 1.463
256 HA THR 33 HA THR 33 11.793 -10.438 1.065
257 HB THR 33 HB THR 33 10.264 -11.110 -0.653
258 HG1 THR 33 HG1 THR 33 11.856 -10.963 -1.827
259 HG21 THR 33 HG21 THR 33 9.594 -8.196 -0.936
260 HG22 THR 33 HG22 THR 33 8.520 -9.580 -0.703
261 HG23 THR 33 HG23 THR 33 9.313 -9.355 -2.264
262 H ASN 34 H ASN 34 10.413 -7.717 2.309
263 HA ASN 34 HA ASN 34 11.107 -5.642 2.746
264 HB2 ASN 34 HB2 ASN 34 13.193 -7.034 3.381
265 HB3 ASN 34 HB3 ASN 34 13.922 -6.404 1.908
266 HD21 ASN 34 HD21 ASN 34 14.331 -4.038 1.823
267 HD22 ASN 34 HD22 ASN 34 14.638 -3.302 3.407
268 H ALA 35 H ALA 35 9.927 -6.167 0.314
269 HA ALA 35 HA ALA 35 11.285 -4.530 -1.774
270 HB1 ALA 35 HB1 ALA 35 9.667 -5.485 -3.338
271 HB2 ALA 35 HB2 ALA 35 10.476 -6.798 -2.483
272 HB3 ALA 35 HB3 ALA 35 8.815 -6.317 -2.034
273 H SER 36 H SER 36 9.409 -3.344 -3.082
274 HA SER 36 HA SER 36 7.215 -2.349 -1.598
275 HB2 SER 36 HB2 SER 36 8.023 -0.426 -0.720
276 HB3 SER 36 HB3 SER 36 9.612 -1.111 -0.948
277 HG SER 36 HG SER 36 9.649 -0.089 -3.021
278 H GLN 37 H GLN 37 6.007 -0.698 -2.939
279 HA GLN 37 HA GLN 37 6.767 -0.290 -5.655
280 HB2 GLN 37 HB2 GLN 37 5.267 -2.723 -5.032
281 HB3 GLN 37 HB3 GLN 37 4.226 -1.621 -5.931
282 HG2 GLN 37 HG2 GLN 37 7.007 -2.371 -6.880
283 HG3 GLN 37 HG3 GLN 37 5.566 -3.315 -7.269
284 HE21 GLN 37 HE21 GLN 37 7.071 -2.265 -9.312
285 HE22 GLN 37 HE22 GLN 37 6.078 -1.055 -10.140
286 H TRP 38 H TRP 38 4.774 0.730 -6.776
287 HA TRP 38 HA TRP 38 3.395 2.570 -4.891
288 HB2 TRP 38 HB2 TRP 38 3.979 3.039 -7.826
289 HB3 TRP 38 HB3 TRP 38 3.393 4.191 -6.618
290 HD1 TRP 38 HD1 TRP 38 6.537 2.258 -7.611
291 HE1 TRP 38 HE1 TRP 38 8.625 3.453 -6.704
292 HE3 TRP 38 HE3 TRP 38 4.237 5.656 -4.564
293 HZ2 TRP 38 HZ2 TRP 38 9.211 5.609 -4.836
294 HZ3 TRP 38 HZ3 TRP 38 5.586 7.121 -3.104
295 HH2 TRP 38 HH2 TRP 38 8.047 7.169 -3.303
296 H GLU 39 H GLU 39 3.051 0.231 -7.528
297 HA GLU 39 HA GLU 39 0.161 0.739 -7.851
298 HB2 GLU 39 HB2 GLU 39 2.160 -1.101 -9.240
299 HB3 GLU 39 HB3 GLU 39 0.435 -1.014 -9.622
300 HG2 GLU 39 HG2 GLU 39 0.629 1.377 -10.155
301 HG3 GLU 39 HG3 GLU 39 2.334 1.378 -9.735
302 H ARG 40 H ARG 40 -1.399 -0.912 -7.290
303 HA ARG 40 HA ARG 40 -0.975 -2.118 -4.877
304 HB2 ARG 40 HB2 ARG 40 -2.995 -2.463 -7.066
305 HB3 ARG 40 HB3 ARG 40 -3.031 -3.571 -5.683
306 HG2 ARG 40 HG2 ARG 40 -3.171 -1.736 -4.099
307 HG3 ARG 40 HG3 ARG 40 -3.043 -0.530 -5.382
308 HD2 ARG 40 HD2 ARG 40 -5.213 -2.653 -5.229
309 HD3 ARG 40 HD3 ARG 40 -5.364 -1.014 -4.565
310 HE ARG 40 HE ARG 40 -4.635 -0.723 -7.230
311 HH11 ARG 40 HH11 ARG 40 -7.364 -2.028 -5.356
312 HH12 ARG 40 HH12 ARG 40 -8.598 -1.158 -6.200
313 HH21 ARG 40 HH21 ARG 40 -6.289 -0.088 -8.747
314 HH22 ARG 40 HH22 ARG 40 -7.972 -0.191 -8.328
315 HA PRO 41 HA PRO 41 1.133 -5.919 -6.031
316 HB2 PRO 41 HB2 PRO 41 1.441 -6.945 -3.510
317 HB3 PRO 41 HB3 PRO 41 2.359 -5.514 -4.087
318 HG2 PRO 41 HG2 PRO 41 -0.038 -5.638 -2.289
319 HG3 PRO 41 HG3 PRO 41 1.343 -4.517 -2.208
320 HD2 PRO 41 HD2 PRO 41 -1.177 -3.982 -3.350
321 HD3 PRO 41 HD3 PRO 41 0.328 -3.054 -3.594
322 H SER 42 H SER 42 0.886 -8.331 -5.054
323 HA SER 42 HA SER 42 -1.801 -9.157 -4.479
324 HB2 SER 42 HB2 SER 42 -1.799 -9.119 -6.926
325 HB3 SER 42 HB3 SER 42 -0.248 -9.976 -6.968
326 HG SER 42 HG SER 42 -2.389 -11.153 -7.217
327 H GLY 43 H GLY 43 -1.587 -10.699 -3.062
328 HA2 GLY 43 HA2 GLY 43 0.835 -12.328 -2.663
329 HA3 GLY 43 HA3 GLY 43 0.220 -11.369 -1.290
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -28.297 4.056 0.441
2 HA2 GLY 1 HA2 GLY 1 -27.607 6.276 1.296
3 HA3 GLY 1 HA3 GLY 1 -26.503 4.972 1.810
4 H LEU 2 H LEU 2 -25.742 7.770 1.573
5 HA LEU 2 HA LEU 2 -24.248 8.022 -0.941
6 HB2 LEU 2 HB2 LEU 2 -24.534 9.805 1.517
7 HB3 LEU 2 HB3 LEU 2 -23.444 10.135 0.181
8 HG LEU 2 HG LEU 2 -25.477 10.013 -1.383
9 HD11 LEU 2 HD11 LEU 2 -26.949 10.348 1.274
10 HD12 LEU 2 HD12 LEU 2 -27.186 9.045 0.087
11 HD13 LEU 2 HD13 LEU 2 -27.646 10.694 -0.319
12 HD21 LEU 2 HD21 LEU 2 -25.240 12.220 0.685
13 HD22 LEU 2 HD22 LEU 2 -26.062 12.369 -0.882
14 HD23 LEU 2 HD23 LEU 2 -24.326 12.083 -0.836
15 H GLU 3 H GLU 3 -23.742 6.533 2.036
16 HA GLU 3 HA GLU 3 -21.139 6.966 2.812
17 HB2 GLU 3 HB2 GLU 3 -22.828 5.685 4.012
18 HB3 GLU 3 HB3 GLU 3 -22.832 4.425 2.776
19 HG2 GLU 3 HG2 GLU 3 -20.458 3.900 3.343
20 HG3 GLU 3 HG3 GLU 3 -20.509 5.163 4.590
21 H HIS 4 H HIS 4 -19.077 6.110 2.271
22 HA HIS 4 HA HIS 4 -18.807 4.213 0.084
23 HB2 HIS 4 HB2 HIS 4 -17.191 5.855 -1.062
24 HB3 HIS 4 HB3 HIS 4 -18.912 6.113 -1.289
25 HD1 HIS 4 HD1 HIS 4 -20.028 8.231 -0.074
26 HD2 HIS 4 HD2 HIS 4 -15.839 7.833 0.241
27 HE1 HIS 4 HE1 HIS 4 -19.152 10.500 0.699
28 H MET 5 H MET 5 -16.848 3.266 0.024
29 HA MET 5 HA MET 5 -14.536 3.854 1.515
30 HB2 MET 5 HB2 MET 5 -14.620 1.686 2.815
31 HB3 MET 5 HB3 MET 5 -15.661 2.948 3.465
32 HG2 MET 5 HG2 MET 5 -16.871 0.999 1.513
33 HG3 MET 5 HG3 MET 5 -16.486 0.410 3.131
34 HE1 MET 5 HE1 MET 5 -19.230 -0.008 2.313
35 HE2 MET 5 HE2 MET 5 -20.476 1.204 2.682
36 HE3 MET 5 HE3 MET 5 -19.481 1.368 1.215
37 H ALA 6 H ALA 6 -12.991 1.970 0.956
38 HA ALA 6 HA ALA 6 -13.925 0.386 -1.394
39 HB1 ALA 6 HB1 ALA 6 -11.848 1.035 -2.596
40 HB2 ALA 6 HB2 ALA 6 -12.907 2.406 -2.277
41 HB3 ALA 6 HB3 ALA 6 -11.451 2.173 -1.287
42 H ASP 7 H ASP 7 -12.357 -1.279 -2.003
43 HA ASP 7 HA ASP 7 -10.882 -2.368 0.384
44 HB2 ASP 7 HB2 ASP 7 -13.031 -3.572 -0.289
45 HB3 ASP 7 HB3 ASP 7 -12.134 -4.122 -1.719
46 H GLU 8 H GLU 8 -10.754 -1.495 -2.961
47 HA GLU 8 HA GLU 8 -8.520 -3.000 -3.822
48 HB2 GLU 8 HB2 GLU 8 -8.460 -1.423 -5.645
49 HB3 GLU 8 HB3 GLU 8 -10.127 -1.828 -5.250
50 HG2 GLU 8 HG2 GLU 8 -10.036 0.348 -3.744
51 HG3 GLU 8 HG3 GLU 8 -8.603 0.744 -4.682
52 H GLU 9 H GLU 9 -8.642 -0.774 -1.366
53 HA GLU 9 HA GLU 9 -5.877 0.273 -1.661
54 HB2 GLU 9 HB2 GLU 9 -8.093 1.678 -1.207
55 HB3 GLU 9 HB3 GLU 9 -7.906 1.064 0.434
56 HG2 GLU 9 HG2 GLU 9 -5.445 2.005 0.238
57 HG3 GLU 9 HG3 GLU 9 -6.071 2.893 -1.151
58 H LYS 10 H LYS 10 -7.507 -2.374 -0.269
59 HA LYS 10 HA LYS 10 -5.825 -2.434 2.178
60 HB2 LYS 10 HB2 LYS 10 -8.106 -4.253 1.323
61 HB3 LYS 10 HB3 LYS 10 -7.232 -4.327 2.858
62 HG2 LYS 10 HG2 LYS 10 -8.893 -1.963 1.858
63 HG3 LYS 10 HG3 LYS 10 -9.414 -3.138 3.046
64 HD2 LYS 10 HD2 LYS 10 -7.859 -2.365 4.692
65 HD3 LYS 10 HD3 LYS 10 -6.938 -1.401 3.524
66 HE2 LYS 10 HE2 LYS 10 -8.776 0.082 3.110
67 HE3 LYS 10 HE3 LYS 10 -9.848 -0.882 4.121
68 HZ1 LYS 10 HZ1 LYS 10 -8.697 -0.231 6.030
69 HZ2 LYS 10 HZ2 LYS 10 -8.890 1.153 5.143
70 HZ3 LYS 10 HZ3 LYS 10 -7.424 0.416 5.205
71 H LEU 11 H LEU 11 -3.913 -2.637 1.343
72 HA LEU 11 HA LEU 11 -3.051 -4.214 -0.684
73 HB2 LEU 11 HB2 LEU 11 -1.741 -3.098 1.784
74 HB3 LEU 11 HB3 LEU 11 -0.815 -4.217 0.801
75 HG LEU 11 HG LEU 11 -0.453 -1.815 0.281
76 HD11 LEU 11 HD11 LEU 11 0.112 -3.498 -1.386
77 HD12 LEU 11 HD12 LEU 11 -0.548 -2.071 -2.199
78 HD13 LEU 11 HD13 LEU 11 -1.556 -3.475 -2.029
79 HD21 LEU 11 HD21 LEU 11 -3.251 -1.865 -0.951
80 HD22 LEU 11 HD22 LEU 11 -2.105 -0.557 -1.033
81 HD23 LEU 11 HD23 LEU 11 -2.777 -0.993 0.533
82 HA PRO 12 HA PRO 12 -3.402 -8.354 0.326
83 HB2 PRO 12 HB2 PRO 12 -1.106 -9.444 -0.834
84 HB3 PRO 12 HB3 PRO 12 -2.625 -9.020 -1.669
85 HG2 PRO 12 HG2 PRO 12 -0.044 -7.525 -1.537
86 HG3 PRO 12 HG3 PRO 12 -1.197 -7.648 -2.895
87 HD2 PRO 12 HD2 PRO 12 -1.002 -5.509 -1.182
88 HD3 PRO 12 HD3 PRO 12 -2.491 -5.940 -2.049
89 HA PRO 13 HA PRO 13 -1.262 -9.559 3.890
90 HB2 PRO 13 HB2 PRO 13 -0.767 -12.277 3.617
91 HB3 PRO 13 HB3 PRO 13 -2.352 -11.532 3.996
92 HG2 PRO 13 HG2 PRO 13 -1.336 -12.451 1.330
93 HG3 PRO 13 HG3 PRO 13 -2.959 -12.707 2.080
94 HD2 PRO 13 HD2 PRO 13 -2.467 -10.814 0.218
95 HD3 PRO 13 HD3 PRO 13 -3.614 -10.539 1.540
96 H GLY 14 H GLY 14 0.660 -8.847 4.313
97 HA2 GLY 14 HA2 GLY 14 3.034 -9.321 4.537
98 HA3 GLY 14 HA3 GLY 14 3.060 -9.742 2.823
99 H TRP 15 H TRP 15 1.254 -7.579 1.977
100 HA TRP 15 HA TRP 15 3.326 -5.484 1.895
101 HB2 TRP 15 HB2 TRP 15 0.745 -5.933 0.377
102 HB3 TRP 15 HB3 TRP 15 1.792 -4.541 0.161
103 HD1 TRP 15 HD1 TRP 15 1.800 -8.347 -0.484
104 HE1 TRP 15 HE1 TRP 15 3.498 -8.833 -2.311
105 HE3 TRP 15 HE3 TRP 15 4.043 -3.797 -0.643
106 HZ2 TRP 15 HZ2 TRP 15 5.667 -7.410 -3.668
107 HZ3 TRP 15 HZ3 TRP 15 5.861 -3.340 -2.278
108 HH2 TRP 15 HH2 TRP 15 6.712 -5.156 -3.761
109 H GLU 16 H GLU 16 2.993 -3.399 2.440
110 HA GLU 16 HA GLU 16 0.591 -2.493 3.940
111 HB2 GLU 16 HB2 GLU 16 3.521 -2.678 4.725
112 HB3 GLU 16 HB3 GLU 16 2.617 -1.248 5.239
113 HG2 GLU 16 HG2 GLU 16 1.583 -4.048 5.754
114 HG3 GLU 16 HG3 GLU 16 2.680 -3.215 6.879
115 H LYS 17 H LYS 17 -0.087 -0.517 3.191
116 HA LYS 17 HA LYS 17 1.462 0.906 1.169
117 HB2 LYS 17 HB2 LYS 17 -0.937 0.528 0.913
118 HB3 LYS 17 HB3 LYS 17 -1.254 1.319 2.477
119 HG2 LYS 17 HG2 LYS 17 -0.319 3.465 1.513
120 HG3 LYS 17 HG3 LYS 17 -0.099 2.635 -0.018
121 HD2 LYS 17 HD2 LYS 17 -2.114 3.632 -0.407
122 HD3 LYS 17 HD3 LYS 17 -2.745 2.113 0.238
123 HE2 LYS 17 HE2 LYS 17 -2.144 4.419 2.129
124 HE3 LYS 17 HE3 LYS 17 -3.522 4.589 1.046
125 HZ1 LYS 17 HZ1 LYS 17 -3.430 2.143 2.652
126 HZ2 LYS 17 HZ2 LYS 17 -4.717 3.043 2.122
127 HZ3 LYS 17 HZ3 LYS 17 -3.866 3.553 3.371
128 H ARG 18 H ARG 18 3.088 2.215 1.943
129 HA ARG 18 HA ARG 18 2.450 3.885 4.347
130 HB2 ARG 18 HB2 ARG 18 5.149 2.760 3.492
131 HB3 ARG 18 HB3 ARG 18 4.888 3.773 4.882
132 HG2 ARG 18 HG2 ARG 18 3.428 1.098 4.686
133 HG3 ARG 18 HG3 ARG 18 5.095 1.205 5.241
134 HD2 ARG 18 HD2 ARG 18 4.521 2.736 6.984
135 HD3 ARG 18 HD3 ARG 18 2.894 2.964 6.373
136 HE ARG 18 HE ARG 18 2.355 0.650 6.955
137 HH11 ARG 18 HH11 ARG 18 5.013 2.192 8.890
138 HH12 ARG 18 HH12 ARG 18 4.732 1.091 10.203
139 HH21 ARG 18 HH21 ARG 18 2.163 -0.741 8.653
140 HH22 ARG 18 HH22 ARG 18 3.163 -0.588 10.077
141 H MET 19 H MET 19 4.376 5.686 4.250
142 HA MET 19 HA MET 19 4.400 6.813 1.550
143 HB2 MET 19 HB2 MET 19 2.547 7.816 2.965
144 HB3 MET 19 HB3 MET 19 3.816 8.409 4.070
145 HG2 MET 19 HG2 MET 19 4.902 9.506 2.108
146 HG3 MET 19 HG3 MET 19 3.568 8.963 1.083
147 HE1 MET 19 HE1 MET 19 4.860 11.276 3.798
148 HE2 MET 19 HE2 MET 19 3.488 12.316 4.195
149 HE3 MET 19 HE3 MET 19 3.515 10.640 4.767
150 H GLU 20 H GLU 20 6.276 7.670 1.005
151 HA GLU 20 HA GLU 20 8.670 7.026 2.461
152 HB2 GLU 20 HB2 GLU 20 7.984 8.641 -0.006
153 HB3 GLU 20 HB3 GLU 20 9.653 8.473 0.567
154 HG2 GLU 20 HG2 GLU 20 7.903 6.136 -0.191
155 HG3 GLU 20 HG3 GLU 20 8.935 7.006 -1.317
156 H ARG 21 H ARG 21 9.562 8.325 4.117
157 HA ARG 21 HA ARG 21 8.424 10.990 4.495
158 HB2 ARG 21 HB2 ARG 21 10.498 9.356 5.973
159 HB3 ARG 21 HB3 ARG 21 10.298 11.076 6.297
160 HG2 ARG 21 HG2 ARG 21 8.868 10.168 7.885
161 HG3 ARG 21 HG3 ARG 21 7.799 10.644 6.594
162 HD2 ARG 21 HD2 ARG 21 7.075 8.514 7.372
163 HD3 ARG 21 HD3 ARG 21 7.812 8.241 5.795
164 HE ARG 21 HE ARG 21 9.636 7.977 8.079
165 HH11 ARG 21 HH11 ARG 21 7.571 6.202 5.749
166 HH12 ARG 21 HH12 ARG 21 8.150 4.641 6.300
167 HH21 ARG 21 HH21 ARG 21 10.264 5.896 8.809
168 HH22 ARG 21 HH22 ARG 21 9.910 4.505 7.853
169 H SER 22 H SER 22 10.918 9.914 2.391
170 HA SER 22 HA SER 22 12.737 12.070 2.599
171 HB2 SER 22 HB2 SER 22 13.299 11.300 0.230
172 HB3 SER 22 HB3 SER 22 13.380 10.070 1.505
173 HG SER 22 HG SER 22 12.294 9.196 -0.236
174 H SER 23 H SER 23 9.831 11.608 0.561
175 HA SER 23 HA SER 23 9.666 14.535 0.195
176 HB2 SER 23 HB2 SER 23 9.782 12.487 -2.009
177 HB3 SER 23 HB3 SER 23 8.987 14.025 -2.235
178 HG SER 23 HG SER 23 11.594 13.850 -1.116
179 H GLY 24 H GLY 24 7.991 11.573 0.946
180 HA2 GLY 24 HA2 GLY 24 5.850 11.561 1.798
181 HA3 GLY 24 HA3 GLY 24 5.551 13.164 1.107
182 H ARG 25 H ARG 25 6.465 9.840 -0.161
183 HA ARG 25 HA ARG 25 4.303 10.242 -2.183
184 HB2 ARG 25 HB2 ARG 25 6.778 10.452 -2.955
185 HB3 ARG 25 HB3 ARG 25 6.886 8.720 -2.644
186 HG2 ARG 25 HG2 ARG 25 6.366 8.876 -4.931
187 HG3 ARG 25 HG3 ARG 25 4.821 8.447 -4.182
188 HD2 ARG 25 HD2 ARG 25 5.498 11.367 -4.645
189 HD3 ARG 25 HD3 ARG 25 5.068 10.356 -6.027
190 HE ARG 25 HE ARG 25 2.981 9.757 -4.903
191 HH11 ARG 25 HH11 ARG 25 4.360 13.029 -4.402
192 HH12 ARG 25 HH12 ARG 25 2.906 13.637 -3.684
193 HH21 ARG 25 HH21 ARG 25 1.040 10.689 -4.180
194 HH22 ARG 25 HH22 ARG 25 1.016 12.300 -3.526
195 H VAL 26 H VAL 26 2.829 8.597 -2.221
196 HA VAL 26 HA VAL 26 3.034 6.629 -0.094
197 HB VAL 26 HB VAL 26 0.891 6.828 -2.230
198 HG11 VAL 26 HG11 VAL 26 0.905 4.686 -0.938
199 HG12 VAL 26 HG12 VAL 26 0.899 5.598 0.584
200 HG13 VAL 26 HG13 VAL 26 -0.492 5.672 -0.517
201 HG21 VAL 26 HG21 VAL 26 1.016 8.971 -1.058
202 HG22 VAL 26 HG22 VAL 26 -0.402 8.068 -0.484
203 HG23 VAL 26 HG23 VAL 26 1.059 8.140 0.523
204 H TYR 27 H TYR 27 3.286 4.383 -0.350
205 HA TYR 27 HA TYR 27 3.716 3.235 -2.976
206 HB2 TYR 27 HB2 TYR 27 5.994 2.660 -2.682
207 HB3 TYR 27 HB3 TYR 27 5.903 4.379 -2.362
208 HD1 TYR 27 HD2 TYR 27 5.619 5.077 0.218
209 HD2 TYR 27 HD1 TYR 27 7.168 1.326 -1.207
210 HE1 TYR 27 HE2 TYR 27 6.873 4.810 2.336
211 HE2 TYR 27 HE1 TYR 27 8.368 0.999 0.917
212 HH TYR 27 HH TYR 27 9.509 2.992 2.519
213 H TYR 28 H TYR 28 4.700 0.832 -2.389
214 HA TYR 28 HA TYR 28 3.102 -0.174 -0.084
215 HB2 TYR 28 HB2 TYR 28 3.614 -1.612 -2.714
216 HB3 TYR 28 HB3 TYR 28 2.600 -2.128 -1.371
217 HD1 TYR 28 HD1 TYR 28 0.881 -0.041 -0.637
218 HD2 TYR 28 HD2 TYR 28 2.404 -0.845 -4.578
219 HE1 TYR 28 HE1 TYR 28 -0.999 1.198 -1.576
220 HE2 TYR 28 HE2 TYR 28 0.501 0.391 -5.563
221 HH TYR 28 HH TYR 28 -2.168 1.787 -3.689
222 H PHE 29 H PHE 29 4.179 -1.640 1.193
223 HA PHE 29 HA PHE 29 7.027 -2.309 0.568
224 HB2 PHE 29 HB2 PHE 29 6.918 -0.383 2.114
225 HB3 PHE 29 HB3 PHE 29 5.867 -1.296 3.194
226 HD1 PHE 29 HD2 PHE 29 6.770 -3.393 4.342
227 HD2 PHE 29 HD1 PHE 29 9.310 -0.651 2.156
228 HE1 PHE 29 HE2 PHE 29 8.791 -4.348 5.428
229 HE2 PHE 29 HE1 PHE 29 11.289 -1.573 3.304
230 HZ PHE 29 HZ PHE 29 11.010 -3.442 4.939
231 H ASN 30 H ASN 30 7.398 -4.446 0.833
232 HA ASN 30 HA ASN 30 5.266 -6.145 2.020
233 HB2 ASN 30 HB2 ASN 30 6.225 -6.593 -0.274
234 HB3 ASN 30 HB3 ASN 30 7.700 -7.115 0.537
235 HD21 ASN 30 HD21 ASN 30 6.280 -8.897 -1.033
236 HD22 ASN 30 HD22 ASN 30 5.303 -10.015 -0.075
237 H HIS 31 H HIS 31 5.546 -6.468 4.192
238 HA HIS 31 HA HIS 31 8.119 -6.244 5.469
239 HB2 HIS 31 HB2 HIS 31 6.987 -6.740 7.492
240 HB3 HIS 31 HB3 HIS 31 5.927 -5.703 6.556
241 HD1 HIS 31 HD1 HIS 31 6.285 -9.504 7.497
242 HD2 HIS 31 HD2 HIS 31 3.536 -6.629 6.114
243 HE1 HIS 31 HE1 HIS 31 4.031 -10.588 7.599
244 H ILE 32 H ILE 32 6.690 -8.772 3.795
245 HA ILE 32 HA ILE 32 7.710 -11.003 5.351
246 HB ILE 32 HB ILE 32 6.872 -10.845 2.430
247 HG12 ILE 32 HG12 ILE 32 5.360 -11.902 4.861
248 HG13 ILE 32 HG13 ILE 32 5.062 -10.351 4.086
249 HG21 ILE 32 HG21 ILE 32 7.257 -13.356 4.080
250 HG22 ILE 32 HG22 ILE 32 6.753 -13.273 2.384
251 HG23 ILE 32 HG23 ILE 32 8.376 -12.796 2.814
252 HD11 ILE 32 HD11 ILE 32 3.402 -11.879 3.270
253 HD12 ILE 32 HD12 ILE 32 4.529 -11.581 1.939
254 HD13 ILE 32 HD13 ILE 32 4.604 -13.098 2.863
255 H THR 33 H THR 33 8.889 -9.199 2.472
256 HA THR 33 HA THR 33 11.542 -10.448 2.967
257 HB THR 33 HB THR 33 10.268 -11.543 1.160
258 HG1 THR 33 HG1 THR 33 12.519 -10.276 0.112
259 HG21 THR 33 HG21 THR 33 9.145 -9.584 0.162
260 HG22 THR 33 HG22 THR 33 10.067 -10.519 -1.024
261 HG23 THR 33 HG23 THR 33 10.728 -8.999 -0.401
262 H ASN 34 H ASN 34 10.101 -7.626 3.397
263 HA ASN 34 HA ASN 34 10.865 -5.515 3.624
264 HB2 ASN 34 HB2 ASN 34 12.986 -6.810 4.365
265 HB3 ASN 34 HB3 ASN 34 13.658 -6.366 2.816
266 HD21 ASN 34 HD21 ASN 34 12.829 -3.618 2.643
267 HD22 ASN 34 HD22 ASN 34 13.557 -2.735 3.981
268 H ALA 35 H ALA 35 9.965 -6.688 1.031
269 HA ALA 35 HA ALA 35 11.412 -5.168 -1.058
270 HB1 ALA 35 HB1 ALA 35 9.070 -7.099 -1.066
271 HB2 ALA 35 HB2 ALA 35 9.494 -6.161 -2.484
272 HB3 ALA 35 HB3 ALA 35 10.673 -7.276 -1.817
273 H SER 36 H SER 36 9.821 -3.922 -2.566
274 HA SER 36 HA SER 36 7.630 -2.586 -1.401
275 HB2 SER 36 HB2 SER 36 8.526 -0.460 -0.970
276 HB3 SER 36 HB3 SER 36 9.761 -1.577 -0.396
277 HG SER 36 HG SER 36 10.884 -0.139 -1.484
278 H GLN 37 H GLN 37 6.490 -1.302 -3.013
279 HA GLN 37 HA GLN 37 7.722 -0.829 -5.527
280 HB2 GLN 37 HB2 GLN 37 5.665 -3.077 -5.241
281 HB3 GLN 37 HB3 GLN 37 5.655 -2.092 -6.708
282 HG2 GLN 37 HG2 GLN 37 8.159 -2.670 -6.954
283 HG3 GLN 37 HG3 GLN 37 7.854 -3.929 -5.750
284 HE21 GLN 37 HE21 GLN 37 6.964 -2.814 -9.056
285 HE22 GLN 37 HE22 GLN 37 6.250 -4.324 -9.558
286 H TRP 38 H TRP 38 6.066 0.258 -6.984
287 HA TRP 38 HA TRP 38 4.208 1.933 -5.393
288 HB2 TRP 38 HB2 TRP 38 5.165 2.440 -8.214
289 HB3 TRP 38 HB3 TRP 38 4.438 3.577 -7.080
290 HD1 TRP 38 HD1 TRP 38 7.671 1.777 -7.897
291 HE1 TRP 38 HE1 TRP 38 9.652 2.909 -6.737
292 HE3 TRP 38 HE3 TRP 38 5.105 5.145 -5.041
293 HZ2 TRP 38 HZ2 TRP 38 10.080 5.095 -4.870
294 HZ3 TRP 38 HZ3 TRP 38 6.304 6.684 -3.545
295 HH2 TRP 38 HH2 TRP 38 8.804 6.720 -3.490
296 H GLU 39 H GLU 39 4.319 -0.503 -7.952
297 HA GLU 39 HA GLU 39 1.589 0.054 -8.867
298 HB2 GLU 39 HB2 GLU 39 1.897 -1.815 -10.357
299 HB3 GLU 39 HB3 GLU 39 3.330 -0.785 -10.419
300 HG2 GLU 39 HG2 GLU 39 4.456 -2.386 -8.819
301 HG3 GLU 39 HG3 GLU 39 3.074 -3.469 -8.998
302 H ARG 40 H ARG 40 -0.212 -1.256 -8.269
303 HA ARG 40 HA ARG 40 -0.153 -2.209 -5.614
304 HB2 ARG 40 HB2 ARG 40 -2.176 -2.433 -7.825
305 HB3 ARG 40 HB3 ARG 40 -2.407 -3.312 -6.300
306 HG2 ARG 40 HG2 ARG 40 -2.278 -1.250 -5.001
307 HG3 ARG 40 HG3 ARG 40 -1.884 -0.325 -6.455
308 HD2 ARG 40 HD2 ARG 40 -4.210 0.033 -6.013
309 HD3 ARG 40 HD3 ARG 40 -4.110 -1.012 -7.429
310 HE ARG 40 HE ARG 40 -5.059 -1.679 -4.708
311 HH11 ARG 40 HH11 ARG 40 -4.406 -2.984 -7.959
312 HH12 ARG 40 HH12 ARG 40 -5.423 -4.343 -7.769
313 HH21 ARG 40 HH21 ARG 40 -6.261 -3.489 -4.383
314 HH22 ARG 40 HH22 ARG 40 -6.637 -4.591 -5.666
315 HA PRO 41 HA PRO 41 1.590 -6.300 -6.496
316 HB2 PRO 41 HB2 PRO 41 1.902 -7.136 -3.923
317 HB3 PRO 41 HB3 PRO 41 2.889 -5.851 -4.638
318 HG2 PRO 41 HG2 PRO 41 0.404 -5.555 -2.932
319 HG3 PRO 41 HG3 PRO 41 1.965 -4.714 -2.718
320 HD2 PRO 41 HD2 PRO 41 -0.132 -3.569 -4.011
321 HD3 PRO 41 HD3 PRO 41 1.570 -3.279 -4.476
322 H SER 42 H SER 42 1.108 -8.591 -5.360
323 HA SER 42 HA SER 42 -1.665 -9.049 -4.704
324 HB2 SER 42 HB2 SER 42 -1.866 -10.826 -6.469
325 HB3 SER 42 HB3 SER 42 -1.805 -9.197 -7.103
326 HG SER 42 HG SER 42 -0.385 -10.215 -8.348
327 H GLY 43 H GLY 43 -1.517 -10.274 -2.931
328 HA2 GLY 43 HA2 GLY 43 0.770 -12.171 -2.544
329 HA3 GLY 43 HA3 GLY 43 0.082 -11.205 -1.239
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -12.373 10.660 2.110
2 HA2 GLY 1 HA2 GLY 1 -15.197 11.011 2.978
3 HA3 GLY 1 HA3 GLY 1 -14.561 11.583 1.421
4 H LEU 2 H LEU 2 -15.752 8.827 3.189
5 HA LEU 2 HA LEU 2 -15.351 7.051 0.819
6 HB2 LEU 2 HB2 LEU 2 -15.160 6.405 3.787
7 HB3 LEU 2 HB3 LEU 2 -15.538 5.203 2.576
8 HG LEU 2 HG LEU 2 -13.273 4.993 3.142
9 HD11 LEU 2 HD11 LEU 2 -13.881 4.611 0.756
10 HD12 LEU 2 HD12 LEU 2 -12.181 5.113 0.961
11 HD13 LEU 2 HD13 LEU 2 -13.376 6.269 0.383
12 HD21 LEU 2 HD21 LEU 2 -12.652 7.809 2.226
13 HD22 LEU 2 HD22 LEU 2 -11.554 6.623 2.935
14 HD23 LEU 2 HD23 LEU 2 -12.843 7.312 3.932
15 H GLU 3 H GLU 3 -17.379 7.531 -0.109
16 HA GLU 3 HA GLU 3 -19.719 7.416 1.701
17 HB2 GLU 3 HB2 GLU 3 -19.990 7.649 -1.286
18 HB3 GLU 3 HB3 GLU 3 -21.077 8.173 -0.030
19 HG2 GLU 3 HG2 GLU 3 -18.404 9.453 -0.747
20 HG3 GLU 3 HG3 GLU 3 -19.994 9.996 -1.249
21 H HIS 4 H HIS 4 -18.923 5.859 -1.443
22 HA HIS 4 HA HIS 4 -20.543 3.535 -0.809
23 HB2 HIS 4 HB2 HIS 4 -18.430 3.899 -2.978
24 HB3 HIS 4 HB3 HIS 4 -19.665 2.645 -2.916
25 HD1 HIS 4 HD1 HIS 4 -19.692 4.128 -5.516
26 HD2 HIS 4 HD2 HIS 4 -21.694 5.522 -2.062
27 HE1 HIS 4 HE1 HIS 4 -21.490 5.691 -6.317
28 H MET 5 H MET 5 -19.585 1.321 -0.968
29 HA MET 5 HA MET 5 -17.203 1.103 0.784
30 HB2 MET 5 HB2 MET 5 -19.341 -0.881 -0.098
31 HB3 MET 5 HB3 MET 5 -17.866 -1.314 0.779
32 HG2 MET 5 HG2 MET 5 -18.510 0.392 2.546
33 HG3 MET 5 HG3 MET 5 -20.055 0.581 1.722
34 HE1 MET 5 HE1 MET 5 -18.560 -3.232 3.902
35 HE2 MET 5 HE2 MET 5 -18.081 -2.945 2.220
36 HE3 MET 5 HE3 MET 5 -17.586 -1.803 3.477
37 H ALA 6 H ALA 6 -15.273 0.599 -0.031
38 HA ALA 6 HA ALA 6 -14.967 -0.837 -2.596
39 HB1 ALA 6 HB1 ALA 6 -13.563 1.805 -1.945
40 HB2 ALA 6 HB2 ALA 6 -13.485 0.861 -3.452
41 HB3 ALA 6 HB3 ALA 6 -14.976 1.678 -3.019
42 H ASP 7 H ASP 7 -13.368 -2.461 -2.139
43 HA ASP 7 HA ASP 7 -11.734 -2.024 0.315
44 HB2 ASP 7 HB2 ASP 7 -13.751 -3.979 -0.109
45 HB3 ASP 7 HB3 ASP 7 -12.228 -4.824 -0.246
46 H GLU 8 H GLU 8 -11.407 -2.124 -2.926
47 HA GLU 8 HA GLU 8 -9.259 -3.967 -3.266
48 HB2 GLU 8 HB2 GLU 8 -8.841 -2.880 -5.341
49 HB3 GLU 8 HB3 GLU 8 -10.554 -3.094 -5.132
50 HG2 GLU 8 HG2 GLU 8 -9.034 -0.487 -4.736
51 HG3 GLU 8 HG3 GLU 8 -9.987 -0.921 -6.152
52 H GLU 9 H GLU 9 -9.391 -0.987 -1.632
53 HA GLU 9 HA GLU 9 -6.619 -0.227 -1.868
54 HB2 GLU 9 HB2 GLU 9 -8.632 1.234 -1.336
55 HB3 GLU 9 HB3 GLU 9 -8.662 0.501 0.276
56 HG2 GLU 9 HG2 GLU 9 -6.405 1.395 0.732
57 HG3 GLU 9 HG3 GLU 9 -6.260 1.962 -0.928
58 H LYS 10 H LYS 10 -8.116 -2.861 -0.240
59 HA LYS 10 HA LYS 10 -6.293 -2.873 2.069
60 HB2 LYS 10 HB2 LYS 10 -8.221 -4.994 1.015
61 HB3 LYS 10 HB3 LYS 10 -7.306 -5.105 2.517
62 HG2 LYS 10 HG2 LYS 10 -9.388 -2.970 1.874
63 HG3 LYS 10 HG3 LYS 10 -9.653 -4.410 2.866
64 HD2 LYS 10 HD2 LYS 10 -8.059 -3.609 4.550
65 HD3 LYS 10 HD3 LYS 10 -7.595 -2.241 3.539
66 HE2 LYS 10 HE2 LYS 10 -9.095 -1.502 5.239
67 HE3 LYS 10 HE3 LYS 10 -9.785 -1.269 3.628
68 HZ1 LYS 10 HZ1 LYS 10 -11.384 -2.158 5.214
69 HZ2 LYS 10 HZ2 LYS 10 -10.470 -3.532 5.403
70 HZ3 LYS 10 HZ3 LYS 10 -11.173 -3.158 3.945
71 H LEU 11 H LEU 11 -4.245 -2.989 1.492
72 HA LEU 11 HA LEU 11 -3.270 -4.359 -0.737
73 HB2 LEU 11 HB2 LEU 11 -2.037 -3.313 1.827
74 HB3 LEU 11 HB3 LEU 11 -1.055 -4.328 0.790
75 HG LEU 11 HG LEU 11 -0.756 -1.917 0.379
76 HD11 LEU 11 HD11 LEU 11 -0.940 -2.021 -2.123
77 HD12 LEU 11 HD12 LEU 11 -1.858 -3.490 -1.994
78 HD13 LEU 11 HD13 LEU 11 -0.180 -3.432 -1.391
79 HD21 LEU 11 HD21 LEU 11 -3.594 -1.951 -0.735
80 HD22 LEU 11 HD22 LEU 11 -2.517 -0.603 -0.740
81 HD23 LEU 11 HD23 LEU 11 -3.097 -1.205 0.809
82 HA PRO 12 HA PRO 12 -3.429 -8.559 0.234
83 HB2 PRO 12 HB2 PRO 12 -1.045 -9.523 -0.861
84 HB3 PRO 12 HB3 PRO 12 -2.551 -9.171 -1.765
85 HG2 PRO 12 HG2 PRO 12 -0.053 -7.541 -1.483
86 HG3 PRO 12 HG3 PRO 12 -1.126 -7.709 -2.896
87 HD2 PRO 12 HD2 PRO 12 -1.135 -5.571 -1.168
88 HD3 PRO 12 HD3 PRO 12 -2.555 -6.064 -2.105
89 HA PRO 13 HA PRO 13 -1.275 -9.601 3.864
90 HB2 PRO 13 HB2 PRO 13 -0.618 -12.277 3.629
91 HB3 PRO 13 HB3 PRO 13 -2.255 -11.645 3.992
92 HG2 PRO 13 HG2 PRO 13 -1.128 -12.511 1.330
93 HG3 PRO 13 HG3 PRO 13 -2.735 -12.881 2.048
94 HD2 PRO 13 HD2 PRO 13 -2.427 -10.922 0.203
95 HD3 PRO 13 HD3 PRO 13 -3.532 -10.714 1.587
96 H GLY 14 H GLY 14 0.597 -8.771 4.316
97 HA2 GLY 14 HA2 GLY 14 2.998 -9.152 4.587
98 HA3 GLY 14 HA3 GLY 14 3.078 -9.610 2.890
99 H TRP 15 H TRP 15 1.154 -7.514 2.006
100 HA TRP 15 HA TRP 15 3.126 -5.353 1.907
101 HB2 TRP 15 HB2 TRP 15 0.612 -5.952 0.359
102 HB3 TRP 15 HB3 TRP 15 1.600 -4.520 0.123
103 HD1 TRP 15 HD1 TRP 15 1.795 -8.358 -0.405
104 HE1 TRP 15 HE1 TRP 15 3.625 -8.787 -2.178
105 HE3 TRP 15 HE3 TRP 15 3.910 -3.724 -0.600
106 HZ2 TRP 15 HZ2 TRP 15 5.516 -7.342 -3.628
107 HZ3 TRP 15 HZ3 TRP 15 5.750 -3.272 -2.182
108 HH2 TRP 15 HH2 TRP 15 6.609 -5.067 -3.698
109 H GLU 16 H GLU 16 2.747 -3.289 2.442
110 HA GLU 16 HA GLU 16 0.306 -2.483 3.924
111 HB2 GLU 16 HB2 GLU 16 3.224 -2.595 4.753
112 HB3 GLU 16 HB3 GLU 16 2.312 -1.169 5.237
113 HG2 GLU 16 HG2 GLU 16 1.362 -4.003 5.755
114 HG3 GLU 16 HG3 GLU 16 2.319 -3.064 6.904
115 H LYS 17 H LYS 17 -0.444 -0.557 3.259
116 HA LYS 17 HA LYS 17 1.074 1.007 1.278
117 HB2 LYS 17 HB2 LYS 17 -1.301 0.558 1.020
118 HB3 LYS 17 HB3 LYS 17 -1.666 1.371 2.560
119 HG2 LYS 17 HG2 LYS 17 -0.783 3.530 1.594
120 HG3 LYS 17 HG3 LYS 17 -0.379 2.674 0.109
121 HD2 LYS 17 HD2 LYS 17 -2.370 3.530 -0.553
122 HD3 LYS 17 HD3 LYS 17 -3.004 2.043 0.144
123 HE2 LYS 17 HE2 LYS 17 -2.833 4.747 1.567
124 HE3 LYS 17 HE3 LYS 17 -4.256 4.144 0.716
125 HZ1 LYS 17 HZ1 LYS 17 -4.140 2.212 2.348
126 HZ2 LYS 17 HZ2 LYS 17 -4.644 3.670 2.908
127 HZ3 LYS 17 HZ3 LYS 17 -3.124 3.159 3.231
128 H ARG 18 H ARG 18 2.562 2.460 1.914
129 HA ARG 18 HA ARG 18 2.048 4.033 4.391
130 HB2 ARG 18 HB2 ARG 18 4.660 2.876 3.360
131 HB3 ARG 18 HB3 ARG 18 4.534 3.890 4.790
132 HG2 ARG 18 HG2 ARG 18 3.044 1.213 4.595
133 HG3 ARG 18 HG3 ARG 18 4.704 1.325 5.091
134 HD2 ARG 18 HD2 ARG 18 4.176 2.647 7.002
135 HD3 ARG 18 HD3 ARG 18 2.551 3.024 6.414
136 HE ARG 18 HE ARG 18 2.006 0.581 6.726
137 HH11 ARG 18 HH11 ARG 18 4.304 2.236 8.930
138 HH12 ARG 18 HH12 ARG 18 3.915 1.135 10.228
139 HH21 ARG 18 HH21 ARG 18 1.549 -0.705 8.447
140 HH22 ARG 18 HH22 ARG 18 2.415 -0.564 9.963
141 H MET 19 H MET 19 3.878 5.987 4.234
142 HA MET 19 HA MET 19 3.889 7.038 1.499
143 HB2 MET 19 HB2 MET 19 1.809 7.881 2.618
144 HB3 MET 19 HB3 MET 19 2.817 8.549 3.918
145 HG2 MET 19 HG2 MET 19 4.064 9.822 2.073
146 HG3 MET 19 HG3 MET 19 2.792 9.304 0.973
147 HE1 MET 19 HE1 MET 19 3.925 11.462 3.923
148 HE2 MET 19 HE2 MET 19 2.484 12.389 4.390
149 HE3 MET 19 HE3 MET 19 2.586 10.659 4.771
150 H GLU 20 H GLU 20 5.710 8.177 1.073
151 HA GLU 20 HA GLU 20 7.926 7.923 2.834
152 HB2 GLU 20 HB2 GLU 20 7.416 8.846 0.108
153 HB3 GLU 20 HB3 GLU 20 8.491 9.972 0.915
154 HG2 GLU 20 HG2 GLU 20 8.854 6.978 0.806
155 HG3 GLU 20 HG3 GLU 20 9.685 8.146 -0.215
156 H ARG 21 H ARG 21 8.645 9.199 4.452
157 HA ARG 21 HA ARG 21 7.201 11.665 5.068
158 HB2 ARG 21 HB2 ARG 21 9.620 10.353 6.347
159 HB3 ARG 21 HB3 ARG 21 8.831 11.830 6.932
160 HG2 ARG 21 HG2 ARG 21 6.672 10.613 7.123
161 HG3 ARG 21 HG3 ARG 21 7.469 9.114 6.631
162 HD2 ARG 21 HD2 ARG 21 8.940 9.239 8.628
163 HD3 ARG 21 HD3 ARG 21 8.198 10.774 9.078
164 HE ARG 21 HE ARG 21 6.321 9.738 9.792
165 HH11 ARG 21 HH11 ARG 21 8.384 7.312 8.158
166 HH12 ARG 21 HH12 ARG 21 7.415 5.964 8.644
167 HH21 ARG 21 HH21 ARG 21 5.104 7.881 10.502
168 HH22 ARG 21 HH22 ARG 21 5.848 6.314 10.354
169 H SER 22 H SER 22 9.949 10.875 3.060
170 HA SER 22 HA SER 22 11.332 13.349 3.377
171 HB2 SER 22 HB2 SER 22 11.342 11.483 0.986
172 HB3 SER 22 HB3 SER 22 12.601 12.630 1.447
173 HG SER 22 HG SER 22 11.755 10.226 2.695
174 H SER 23 H SER 23 9.245 12.281 0.564
175 HA SER 23 HA SER 23 8.577 15.176 0.178
176 HB2 SER 23 HB2 SER 23 8.849 12.950 -1.854
177 HB3 SER 23 HB3 SER 23 8.273 14.590 -2.197
178 HG SER 23 HG SER 23 10.731 14.094 -2.330
179 H GLY 24 H GLY 24 7.060 12.098 0.883
180 HA2 GLY 24 HA2 GLY 24 4.830 12.019 1.702
181 HA3 GLY 24 HA3 GLY 24 4.474 13.528 0.875
182 H ARG 25 H ARG 25 5.855 10.300 -0.280
183 HA ARG 25 HA ARG 25 3.626 10.379 -2.251
184 HB2 ARG 25 HB2 ARG 25 6.032 10.829 -3.037
185 HB3 ARG 25 HB3 ARG 25 6.324 9.121 -2.715
186 HG2 ARG 25 HG2 ARG 25 5.747 9.285 -5.022
187 HG3 ARG 25 HG3 ARG 25 4.382 8.520 -4.215
188 HD2 ARG 25 HD2 ARG 25 4.312 11.487 -4.715
189 HD3 ARG 25 HD3 ARG 25 4.039 10.390 -6.054
190 HE ARG 25 HE ARG 25 2.169 11.048 -4.016
191 HH11 ARG 25 HH11 ARG 25 3.092 8.425 -6.270
192 HH12 ARG 25 HH12 ARG 25 1.558 7.664 -6.232
193 HH21 ARG 25 HH21 ARG 25 0.136 10.003 -3.935
194 HH22 ARG 25 HH22 ARG 25 -0.126 8.490 -4.738
195 H VAL 26 H VAL 26 2.315 8.687 -2.255
196 HA VAL 26 HA VAL 26 2.561 6.775 -0.108
197 HB VAL 26 HB VAL 26 0.511 6.887 -2.363
198 HG11 VAL 26 HG11 VAL 26 0.481 4.748 -1.112
199 HG12 VAL 26 HG12 VAL 26 0.386 5.637 0.424
200 HG13 VAL 26 HG13 VAL 26 -0.952 5.709 -0.735
201 HG21 VAL 26 HG21 VAL 26 -0.923 8.113 -0.709
202 HG22 VAL 26 HG22 VAL 26 0.483 8.235 0.376
203 HG23 VAL 26 HG23 VAL 26 0.490 9.037 -1.207
204 H TYR 27 H TYR 27 2.929 4.543 -0.331
205 HA TYR 27 HA TYR 27 3.526 3.350 -2.904
206 HB2 TYR 27 HB2 TYR 27 5.825 2.866 -2.447
207 HB3 TYR 27 HB3 TYR 27 5.646 4.601 -2.299
208 HD1 TYR 27 HD2 TYR 27 5.371 5.582 0.139
209 HD2 TYR 27 HD1 TYR 27 6.760 1.603 -0.712
210 HE1 TYR 27 HE2 TYR 27 6.364 5.430 2.420
211 HE2 TYR 27 HE1 TYR 27 7.669 1.409 1.564
212 HH TYR 27 HH TYR 27 8.028 2.526 3.625
213 H TYR 28 H TYR 28 4.397 1.007 -2.289
214 HA TYR 28 HA TYR 28 2.838 0.018 0.051
215 HB2 TYR 28 HB2 TYR 28 3.473 -1.396 -2.564
216 HB3 TYR 28 HB3 TYR 28 2.504 -1.995 -1.229
217 HD1 TYR 28 HD1 TYR 28 0.647 -0.029 -0.476
218 HD2 TYR 28 HD2 TYR 28 2.173 -0.750 -4.432
219 HE1 TYR 28 HE1 TYR 28 -1.409 0.932 -1.417
220 HE2 TYR 28 HE2 TYR 28 0.083 0.140 -5.402
221 HH TYR 28 HH TYR 28 -2.745 0.904 -3.357
222 H PHE 29 H PHE 29 3.840 -1.536 1.348
223 HA PHE 29 HA PHE 29 6.734 -2.069 0.816
224 HB2 PHE 29 HB2 PHE 29 6.352 -0.181 2.454
225 HB3 PHE 29 HB3 PHE 29 5.526 -1.325 3.504
226 HD1 PHE 29 HD1 PHE 29 8.756 -0.409 1.918
227 HD2 PHE 29 HD2 PHE 29 6.798 -3.195 4.597
228 HE1 PHE 29 HE1 PHE 29 10.950 -1.253 2.628
229 HE2 PHE 29 HE2 PHE 29 9.026 -4.103 5.230
230 HZ PHE 29 HZ PHE 29 11.102 -3.074 4.253
231 H ASN 30 H ASN 30 7.146 -4.135 0.917
232 HA ASN 30 HA ASN 30 5.124 -6.028 2.004
233 HB2 ASN 30 HB2 ASN 30 6.096 -6.359 -0.249
234 HB3 ASN 30 HB3 ASN 30 7.632 -6.756 0.502
235 HD21 ASN 30 HD21 ASN 30 6.905 -8.778 -0.924
236 HD22 ASN 30 HD22 ASN 30 5.962 -10.002 -0.095
237 H HIS 31 H HIS 31 5.389 -6.238 4.270
238 HA HIS 31 HA HIS 31 7.977 -6.100 5.515
239 HB2 HIS 31 HB2 HIS 31 6.857 -6.740 7.510
240 HB3 HIS 31 HB3 HIS 31 5.851 -5.578 6.664
241 HD1 HIS 31 HD1 HIS 31 5.927 -9.403 7.495
242 HD2 HIS 31 HD2 HIS 31 3.406 -6.315 6.135
243 HE1 HIS 31 HE1 HIS 31 3.579 -10.312 7.584
244 H ILE 32 H ILE 32 6.422 -8.676 3.856
245 HA ILE 32 HA ILE 32 7.504 -10.913 5.328
246 HB ILE 32 HB ILE 32 6.432 -10.653 2.497
247 HG12 ILE 32 HG12 ILE 32 5.376 -12.003 5.021
248 HG13 ILE 32 HG13 ILE 32 4.844 -10.450 4.394
249 HG21 ILE 32 HG21 ILE 32 7.356 -13.229 3.780
250 HG22 ILE 32 HG22 ILE 32 6.461 -13.091 2.252
251 HG23 ILE 32 HG23 ILE 32 8.073 -12.438 2.354
252 HD11 ILE 32 HD11 ILE 32 4.396 -13.178 3.137
253 HD12 ILE 32 HD12 ILE 32 3.191 -12.046 3.747
254 HD13 ILE 32 HD13 ILE 32 4.093 -11.648 2.276
255 H THR 33 H THR 33 8.652 -9.058 2.504
256 HA THR 33 HA THR 33 11.302 -10.359 2.969
257 HB THR 33 HB THR 33 9.932 -11.284 1.039
258 HG1 THR 33 HG1 THR 33 11.897 -11.373 -0.222
259 HG21 THR 33 HG21 THR 33 11.028 -8.873 -0.409
260 HG22 THR 33 HG22 THR 33 9.308 -9.102 0.019
261 HG23 THR 33 HG23 THR 33 10.104 -10.219 -1.095
262 H ASN 34 H ASN 34 9.873 -7.641 3.562
263 HA ASN 34 HA ASN 34 10.543 -5.535 3.929
264 HB2 ASN 34 HB2 ASN 34 12.484 -6.853 4.936
265 HB3 ASN 34 HB3 ASN 34 13.390 -6.489 3.469
266 HD21 ASN 34 HD21 ASN 34 11.730 -5.026 6.258
267 HD22 ASN 34 HD22 ASN 34 12.715 -3.555 6.282
268 H ALA 35 H ALA 35 9.728 -6.240 1.324
269 HA ALA 35 HA ALA 35 11.405 -4.666 -0.570
270 HB1 ALA 35 HB1 ALA 35 9.995 -5.688 -2.334
271 HB2 ALA 35 HB2 ALA 35 10.705 -6.947 -1.332
272 HB3 ALA 35 HB3 ALA 35 8.994 -6.484 -1.125
273 H SER 36 H SER 36 9.772 -3.566 -2.298
274 HA SER 36 HA SER 36 7.458 -2.385 -1.112
275 HB2 SER 36 HB2 SER 36 8.225 -0.172 -0.996
276 HB3 SER 36 HB3 SER 36 9.511 -1.120 -0.273
277 HG SER 36 HG SER 36 9.902 0.618 -1.976
278 H GLN 37 H GLN 37 6.380 -0.894 -2.772
279 HA GLN 37 HA GLN 37 7.376 -0.887 -5.411
280 HB2 GLN 37 HB2 GLN 37 5.361 -3.014 -4.634
281 HB3 GLN 37 HB3 GLN 37 4.944 -2.088 -6.041
282 HG2 GLN 37 HG2 GLN 37 7.687 -2.885 -6.374
283 HG3 GLN 37 HG3 GLN 37 6.734 -4.290 -5.889
284 HE21 GLN 37 HE21 GLN 37 5.444 -5.259 -7.428
285 HE22 GLN 37 HE22 GLN 37 5.163 -4.616 -9.038
286 H TRP 38 H TRP 38 5.732 0.132 -6.837
287 HA TRP 38 HA TRP 38 3.965 2.035 -5.351
288 HB2 TRP 38 HB2 TRP 38 4.955 2.194 -8.210
289 HB3 TRP 38 HB3 TRP 38 4.148 3.455 -7.264
290 HD1 TRP 38 HD1 TRP 38 7.494 1.652 -7.690
291 HE1 TRP 38 HE1 TRP 38 9.363 3.094 -6.687
292 HE3 TRP 38 HE3 TRP 38 4.647 5.187 -5.211
293 HZ2 TRP 38 HZ2 TRP 38 9.613 5.634 -5.343
294 HZ3 TRP 38 HZ3 TRP 38 5.767 6.963 -3.987
295 HH2 TRP 38 HH2 TRP 38 8.196 7.330 -4.179
296 H GLU 39 H GLU 39 4.181 -0.465 -7.851
297 HA GLU 39 HA GLU 39 1.506 -0.098 -8.890
298 HB2 GLU 39 HB2 GLU 39 3.430 -2.473 -9.039
299 HB3 GLU 39 HB3 GLU 39 1.932 -2.282 -9.953
300 HG2 GLU 39 HG2 GLU 39 2.880 -0.279 -11.082
301 HG3 GLU 39 HG3 GLU 39 4.405 -0.510 -10.209
302 H ARG 40 H ARG 40 -0.309 -1.402 -8.309
303 HA ARG 40 HA ARG 40 -0.474 -2.214 -5.604
304 HB2 ARG 40 HB2 ARG 40 -2.256 -2.527 -8.014
305 HB3 ARG 40 HB3 ARG 40 -2.569 -3.516 -6.582
306 HG2 ARG 40 HG2 ARG 40 -2.691 -1.579 -5.151
307 HG3 ARG 40 HG3 ARG 40 -2.322 -0.494 -6.499
308 HD2 ARG 40 HD2 ARG 40 -4.405 -1.019 -7.596
309 HD3 ARG 40 HD3 ARG 40 -4.707 -2.391 -6.520
310 HE ARG 40 HE ARG 40 -4.783 -0.755 -4.658
311 HH11 ARG 40 HH11 ARG 40 -6.098 -0.012 -7.894
312 HH12 ARG 40 HH12 ARG 40 -7.443 0.889 -7.284
313 HH21 ARG 40 HH21 ARG 40 -6.328 0.816 -3.922
314 HH22 ARG 40 HH22 ARG 40 -7.527 1.428 -4.993
315 HA PRO 41 HA PRO 41 1.593 -6.224 -6.278
316 HB2 PRO 41 HB2 PRO 41 1.717 -7.006 -3.660
317 HB3 PRO 41 HB3 PRO 41 2.788 -5.767 -4.360
318 HG2 PRO 41 HG2 PRO 41 0.260 -5.382 -2.760
319 HG3 PRO 41 HG3 PRO 41 1.815 -4.520 -2.557
320 HD2 PRO 41 HD2 PRO 41 -0.302 -3.475 -3.934
321 HD3 PRO 41 HD3 PRO 41 1.401 -3.149 -4.355
322 H SER 42 H SER 42 0.999 -8.538 -5.584
323 HA SER 42 HA SER 42 -1.826 -8.842 -4.840
324 HB2 SER 42 HB2 SER 42 -0.723 -10.063 -7.411
325 HB3 SER 42 HB3 SER 42 -2.367 -10.197 -6.789
326 HG SER 42 HG SER 42 -1.024 -8.009 -7.936
327 H GLY 43 H GLY 43 -0.702 -9.661 -2.935
328 HA2 GLY 43 HA2 GLY 43 -0.389 -11.471 -1.512
329 HA3 GLY 43 HA3 GLY 43 -0.732 -12.548 -2.859
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -18.965 -2.895 -4.254
2 HA2 GLY 1 HA2 GLY 1 -20.057 -0.728 -4.414
3 HA3 GLY 1 HA3 GLY 1 -19.990 -1.246 -2.714
4 H LEU 2 H LEU 2 -20.166 1.297 -2.513
5 HA LEU 2 HA LEU 2 -17.427 2.522 -2.695
6 HB2 LEU 2 HB2 LEU 2 -20.217 3.750 -2.830
7 HB3 LEU 2 HB3 LEU 2 -18.784 4.669 -2.433
8 HG LEU 2 HG LEU 2 -17.758 4.122 -4.616
9 HD11 LEU 2 HD11 LEU 2 -19.345 3.192 -6.401
10 HD12 LEU 2 HD12 LEU 2 -20.360 2.610 -5.056
11 HD13 LEU 2 HD13 LEU 2 -18.668 2.038 -5.264
12 HD21 LEU 2 HD21 LEU 2 -19.087 6.159 -4.435
13 HD22 LEU 2 HD22 LEU 2 -20.586 5.273 -4.765
14 HD23 LEU 2 HD23 LEU 2 -19.319 5.449 -6.019
15 H GLU 3 H GLU 3 -20.468 2.778 -0.814
16 HA GLU 3 HA GLU 3 -19.050 3.506 1.606
17 HB2 GLU 3 HB2 GLU 3 -21.506 4.039 0.849
18 HB3 GLU 3 HB3 GLU 3 -21.894 2.414 1.396
19 HG2 GLU 3 HG2 GLU 3 -22.414 3.878 3.203
20 HG3 GLU 3 HG3 GLU 3 -20.944 3.064 3.686
21 H HIS 4 H HIS 4 -19.974 0.496 0.115
22 HA HIS 4 HA HIS 4 -19.003 -1.106 2.415
23 HB2 HIS 4 HB2 HIS 4 -20.854 -2.707 1.923
24 HB3 HIS 4 HB3 HIS 4 -21.461 -1.159 2.487
25 HD1 HIS 4 HD1 HIS 4 -22.921 0.269 0.701
26 HD2 HIS 4 HD2 HIS 4 -21.232 -3.312 -0.733
27 HE1 HIS 4 HE1 HIS 4 -23.868 -0.102 -1.639
28 H MET 5 H MET 5 -18.353 -3.265 1.657
29 HA MET 5 HA MET 5 -17.113 -4.630 0.416
30 HB2 MET 5 HB2 MET 5 -19.129 -3.649 -1.612
31 HB3 MET 5 HB3 MET 5 -17.888 -4.787 -2.090
32 HG2 MET 5 HG2 MET 5 -19.546 -5.297 0.400
33 HG3 MET 5 HG3 MET 5 -20.181 -5.685 -1.197
34 HE1 MET 5 HE1 MET 5 -19.622 -7.527 -2.616
35 HE2 MET 5 HE2 MET 5 -18.093 -6.721 -2.975
36 HE3 MET 5 HE3 MET 5 -18.093 -8.443 -2.622
37 H ALA 6 H ALA 6 -16.499 -1.470 0.034
38 HA ALA 6 HA ALA 6 -14.620 -1.502 -2.168
39 HB1 ALA 6 HB1 ALA 6 -13.880 0.675 -1.202
40 HB2 ALA 6 HB2 ALA 6 -15.638 0.609 -1.375
41 HB3 ALA 6 HB3 ALA 6 -14.896 0.395 0.227
42 H ASP 7 H ASP 7 -12.698 -2.670 -2.091
43 HA ASP 7 HA ASP 7 -11.521 -3.198 0.598
44 HB2 ASP 7 HB2 ASP 7 -10.692 -5.204 -0.112
45 HB3 ASP 7 HB3 ASP 7 -12.345 -5.174 -0.725
46 H GLU 8 H GLU 8 -10.927 -1.673 -2.509
47 HA GLU 8 HA GLU 8 -8.120 -1.556 -2.450
48 HB2 GLU 8 HB2 GLU 8 -8.312 0.081 -4.113
49 HB3 GLU 8 HB3 GLU 8 -9.803 -0.831 -4.291
50 HG2 GLU 8 HG2 GLU 8 -10.972 0.954 -2.898
51 HG3 GLU 8 HG3 GLU 8 -9.468 1.894 -2.930
52 H GLU 9 H GLU 9 -10.404 -0.053 -0.463
53 HA GLU 9 HA GLU 9 -9.204 2.341 0.360
54 HB2 GLU 9 HB2 GLU 9 -11.601 1.044 0.777
55 HB3 GLU 9 HB3 GLU 9 -10.836 0.828 2.353
56 HG2 GLU 9 HG2 GLU 9 -10.368 3.344 2.318
57 HG3 GLU 9 HG3 GLU 9 -11.354 3.441 0.862
58 H LYS 10 H LYS 10 -8.100 -0.906 1.114
59 HA LYS 10 HA LYS 10 -6.140 0.169 2.964
60 HB2 LYS 10 HB2 LYS 10 -6.676 -1.412 4.675
61 HB3 LYS 10 HB3 LYS 10 -8.113 -0.496 4.200
62 HG2 LYS 10 HG2 LYS 10 -8.522 -2.680 2.640
63 HG3 LYS 10 HG3 LYS 10 -7.537 -3.418 3.912
64 HD2 LYS 10 HD2 LYS 10 -9.836 -3.644 4.537
65 HD3 LYS 10 HD3 LYS 10 -9.150 -2.388 5.594
66 HE2 LYS 10 HE2 LYS 10 -9.984 -0.810 3.599
67 HE3 LYS 10 HE3 LYS 10 -11.038 -2.177 3.222
68 HZ1 LYS 10 HZ1 LYS 10 -11.841 -2.000 5.575
69 HZ2 LYS 10 HZ2 LYS 10 -12.170 -0.690 4.646
70 HZ3 LYS 10 HZ3 LYS 10 -10.914 -0.639 5.734
71 H LEU 11 H LEU 11 -4.202 -0.848 2.686
72 HA LEU 11 HA LEU 11 -3.755 -2.342 0.388
73 HB2 LEU 11 HB2 LEU 11 -2.161 -1.727 2.884
74 HB3 LEU 11 HB3 LEU 11 -1.487 -2.884 1.770
75 HG LEU 11 HG LEU 11 -0.689 -0.555 1.418
76 HD11 LEU 11 HD11 LEU 11 -2.222 -1.760 -0.935
77 HD12 LEU 11 HD12 LEU 11 -0.541 -2.108 -0.443
78 HD13 LEU 11 HD13 LEU 11 -1.005 -0.528 -1.075
79 HD21 LEU 11 HD21 LEU 11 -3.503 0.067 0.406
80 HD22 LEU 11 HD22 LEU 11 -2.142 1.147 0.449
81 HD23 LEU 11 HD23 LEU 11 -2.823 0.610 1.974
82 HA PRO 12 HA PRO 12 -4.641 -6.511 1.236
83 HB2 PRO 12 HB2 PRO 12 -2.711 -7.867 -0.227
84 HB3 PRO 12 HB3 PRO 12 -4.116 -7.020 -0.929
85 HG2 PRO 12 HG2 PRO 12 -1.279 -6.063 -0.600
86 HG3 PRO 12 HG3 PRO 12 -2.327 -5.896 -2.023
87 HD2 PRO 12 HD2 PRO 12 -1.909 -3.914 -0.229
88 HD3 PRO 12 HD3 PRO 12 -3.479 -4.104 -1.071
89 HA PRO 13 HA PRO 13 -2.331 -8.225 4.485
90 HB2 PRO 13 HB2 PRO 13 -2.303 -10.942 4.081
91 HB3 PRO 13 HB3 PRO 13 -3.737 -9.988 4.536
92 HG2 PRO 13 HG2 PRO 13 -2.991 -10.837 1.746
93 HG3 PRO 13 HG3 PRO 13 -4.562 -11.035 2.601
94 HD2 PRO 13 HD2 PRO 13 -4.133 -8.988 0.931
95 HD3 PRO 13 HD3 PRO 13 -4.996 -8.679 2.441
96 H GLY 14 H GLY 14 -0.332 -7.672 4.693
97 HA2 GLY 14 HA2 GLY 14 1.975 -8.523 4.850
98 HA3 GLY 14 HA3 GLY 14 1.875 -8.973 3.151
99 H TRP 15 H TRP 15 0.330 -6.446 2.456
100 HA TRP 15 HA TRP 15 2.719 -4.777 2.226
101 HB2 TRP 15 HB2 TRP 15 -0.039 -4.678 0.982
102 HB3 TRP 15 HB3 TRP 15 1.218 -3.504 0.673
103 HD1 TRP 15 HD1 TRP 15 0.441 -7.238 -0.057
104 HE1 TRP 15 HE1 TRP 15 1.755 -7.921 -2.122
105 HE3 TRP 15 HE3 TRP 15 3.434 -3.131 -0.436
106 HZ2 TRP 15 HZ2 TRP 15 3.949 -6.850 -3.706
107 HZ3 TRP 15 HZ3 TRP 15 5.099 -2.958 -2.250
108 HH2 TRP 15 HH2 TRP 15 5.406 -4.833 -3.874
109 H GLU 16 H GLU 16 2.746 -2.573 2.727
110 HA GLU 16 HA GLU 16 0.707 -1.410 4.533
111 HB2 GLU 16 HB2 GLU 16 3.695 -1.862 4.916
112 HB3 GLU 16 HB3 GLU 16 2.971 -0.439 5.618
113 HG2 GLU 16 HG2 GLU 16 1.849 -3.189 6.197
114 HG3 GLU 16 HG3 GLU 16 3.150 -2.489 7.137
115 H LYS 17 H LYS 17 0.425 0.766 4.102
116 HA LYS 17 HA LYS 17 1.880 1.921 1.808
117 HB2 LYS 17 HB2 LYS 17 -0.530 1.962 1.841
118 HB3 LYS 17 HB3 LYS 17 -0.542 2.792 3.414
119 HG2 LYS 17 HG2 LYS 17 0.746 4.672 2.324
120 HG3 LYS 17 HG3 LYS 17 0.506 3.912 0.762
121 HD2 LYS 17 HD2 LYS 17 -1.924 4.136 0.933
122 HD3 LYS 17 HD3 LYS 17 -1.814 4.544 2.656
123 HE2 LYS 17 HE2 LYS 17 -0.374 6.554 1.936
124 HE3 LYS 17 HE3 LYS 17 -0.955 6.206 0.290
125 HZ1 LYS 17 HZ1 LYS 17 -2.426 7.789 1.197
126 HZ2 LYS 17 HZ2 LYS 17 -2.601 6.962 2.624
127 HZ3 LYS 17 HZ3 LYS 17 -3.236 6.407 1.206
128 H ARG 18 H ARG 18 3.672 2.911 2.213
129 HA ARG 18 HA ARG 18 4.073 4.314 4.813
130 HB2 ARG 18 HB2 ARG 18 5.989 2.829 2.969
131 HB3 ARG 18 HB3 ARG 18 6.541 3.693 4.400
132 HG2 ARG 18 HG2 ARG 18 4.542 1.406 4.633
133 HG3 ARG 18 HG3 ARG 18 6.260 1.092 4.474
134 HD2 ARG 18 HD2 ARG 18 6.808 1.945 6.552
135 HD3 ARG 18 HD3 ARG 18 5.422 3.041 6.580
136 HE ARG 18 HE ARG 18 3.937 1.189 7.005
137 HH11 ARG 18 HH11 ARG 18 7.360 0.316 7.715
138 HH12 ARG 18 HH12 ARG 18 6.859 -0.795 8.943
139 HH21 ARG 18 HH21 ARG 18 3.416 -0.433 8.550
140 HH22 ARG 18 HH22 ARG 18 4.672 -1.250 9.390
141 H MET 19 H MET 19 6.136 5.794 4.360
142 HA MET 19 HA MET 19 5.879 7.317 1.869
143 HB2 MET 19 HB2 MET 19 4.335 8.497 3.314
144 HB3 MET 19 HB3 MET 19 5.515 8.540 4.635
145 HG2 MET 19 HG2 MET 19 7.027 9.902 3.233
146 HG3 MET 19 HG3 MET 19 5.855 9.862 1.912
147 HE1 MET 19 HE1 MET 19 4.006 11.403 1.574
148 HE2 MET 19 HE2 MET 19 3.072 10.639 2.890
149 HE3 MET 19 HE3 MET 19 3.229 12.405 2.811
150 H GLU 20 H GLU 20 7.819 7.978 1.175
151 HA GLU 20 HA GLU 20 10.248 6.965 2.305
152 HB2 GLU 20 HB2 GLU 20 9.760 9.085 0.160
153 HB3 GLU 20 HB3 GLU 20 11.330 8.421 0.605
154 HG2 GLU 20 HG2 GLU 20 9.737 6.170 0.145
155 HG3 GLU 20 HG3 GLU 20 9.233 7.288 -1.119
156 H ARG 21 H ARG 21 11.085 7.821 4.272
157 HA ARG 21 HA ARG 21 10.399 10.466 5.098
158 HB2 ARG 21 HB2 ARG 21 11.141 8.431 6.520
159 HB3 ARG 21 HB3 ARG 21 12.794 8.843 6.051
160 HG2 ARG 21 HG2 ARG 21 12.389 9.770 8.202
161 HG3 ARG 21 HG3 ARG 21 12.438 11.124 7.088
162 HD2 ARG 21 HD2 ARG 21 9.892 11.075 7.038
163 HD3 ARG 21 HD3 ARG 21 9.946 9.821 8.291
164 HE ARG 21 HE ARG 21 11.526 12.159 8.941
165 HH11 ARG 21 HH11 ARG 21 8.108 11.151 9.041
166 HH12 ARG 21 HH12 ARG 21 7.607 12.584 9.838
167 HH21 ARG 21 HH21 ARG 21 10.951 13.903 9.921
168 HH22 ARG 21 HH22 ARG 21 9.320 14.330 10.316
169 H SER 22 H SER 22 12.733 9.386 2.831
170 HA SER 22 HA SER 22 14.790 11.275 3.004
171 HB2 SER 22 HB2 SER 22 13.623 10.156 0.418
172 HB3 SER 22 HB3 SER 22 15.302 10.605 0.747
173 HG SER 22 HG SER 22 14.561 8.269 0.791
174 H SER 23 H SER 23 11.748 11.403 1.043
175 HA SER 23 HA SER 23 11.971 14.368 1.049
176 HB2 SER 23 HB2 SER 23 11.432 12.609 -1.361
177 HB3 SER 23 HB3 SER 23 11.362 14.377 -1.326
178 HG SER 23 HG SER 23 13.443 14.381 -1.603
179 H GLY 24 H GLY 24 9.841 11.594 1.385
180 HA2 GLY 24 HA2 GLY 24 7.798 11.805 2.445
181 HA3 GLY 24 HA3 GLY 24 7.604 13.463 1.878
182 H ARG 25 H ARG 25 8.307 10.298 0.120
183 HA ARG 25 HA ARG 25 6.012 10.975 -1.643
184 HB2 ARG 25 HB2 ARG 25 8.446 10.892 -2.539
185 HB3 ARG 25 HB3 ARG 25 8.329 9.152 -2.329
186 HG2 ARG 25 HG2 ARG 25 7.733 9.549 -4.588
187 HG3 ARG 25 HG3 ARG 25 6.193 9.263 -3.760
188 HD2 ARG 25 HD2 ARG 25 5.776 11.700 -3.675
189 HD3 ARG 25 HD3 ARG 25 7.354 12.014 -4.381
190 HE ARG 25 HE ARG 25 5.977 10.278 -6.123
191 HH11 ARG 25 HH11 ARG 25 5.683 13.668 -5.056
192 HH12 ARG 25 HH12 ARG 25 5.305 14.235 -6.665
193 HH21 ARG 25 HH21 ARG 25 5.426 11.074 -8.155
194 HH22 ARG 25 HH22 ARG 25 4.990 12.726 -8.400
195 H VAL 26 H VAL 26 4.362 9.563 -1.609
196 HA VAL 26 HA VAL 26 4.317 7.476 0.397
197 HB VAL 26 HB VAL 26 2.262 8.237 -1.723
198 HG11 VAL 26 HG11 VAL 26 0.691 7.254 -0.062
199 HG12 VAL 26 HG12 VAL 26 1.776 6.049 -0.752
200 HG13 VAL 26 HG13 VAL 26 2.093 6.653 0.877
201 HG21 VAL 26 HG21 VAL 26 1.213 9.547 0.148
202 HG22 VAL 26 HG22 VAL 26 2.641 9.199 1.155
203 HG23 VAL 26 HG23 VAL 26 2.781 10.198 -0.313
204 H TYR 27 H TYR 27 4.151 5.207 0.053
205 HA TYR 27 HA TYR 27 4.205 4.090 -2.574
206 HB2 TYR 27 HB2 TYR 27 6.374 3.113 -2.541
207 HB3 TYR 27 HB3 TYR 27 6.610 4.820 -2.256
208 HD1 TYR 27 HD2 TYR 27 6.978 5.623 0.177
209 HD2 TYR 27 HD1 TYR 27 7.339 1.530 -1.090
210 HE1 TYR 27 HE2 TYR 27 8.277 5.098 2.215
211 HE2 TYR 27 HE1 TYR 27 8.534 0.970 0.984
212 HH TYR 27 HH TYR 27 9.350 3.480 3.455
213 H TYR 28 H TYR 28 4.789 1.532 -2.048
214 HA TYR 28 HA TYR 28 3.341 0.792 0.436
215 HB2 TYR 28 HB2 TYR 28 3.289 -0.674 -2.218
216 HB3 TYR 28 HB3 TYR 28 2.405 -1.061 -0.759
217 HD1 TYR 28 HD1 TYR 28 0.936 1.044 0.171
218 HD2 TYR 28 HD2 TYR 28 2.075 0.382 -3.914
219 HE1 TYR 28 HE1 TYR 28 -0.951 2.447 -0.544
220 HE2 TYR 28 HE2 TYR 28 0.168 1.773 -4.665
221 HH TYR 28 HH TYR 28 -1.632 3.006 -4.088
222 H PHE 29 H PHE 29 4.136 -1.049 1.516
223 HA PHE 29 HA PHE 29 6.702 -2.217 0.530
224 HB2 PHE 29 HB2 PHE 29 7.120 -0.365 2.178
225 HB3 PHE 29 HB3 PHE 29 6.218 -1.283 3.374
226 HD1 PHE 29 HD2 PHE 29 7.088 -3.512 4.180
227 HD2 PHE 29 HD1 PHE 29 9.320 -1.095 1.375
228 HE1 PHE 29 HE2 PHE 29 9.116 -4.912 4.539
229 HE2 PHE 29 HE1 PHE 29 11.339 -2.455 1.802
230 HZ PHE 29 HZ PHE 29 11.253 -4.324 3.387
231 H ASN 30 H ASN 30 6.702 -4.303 0.629
232 HA ASN 30 HA ASN 30 4.525 -5.744 2.101
233 HB2 ASN 30 HB2 ASN 30 4.991 -6.203 -0.350
234 HB3 ASN 30 HB3 ASN 30 6.466 -7.001 0.162
235 HD21 ASN 30 HD21 ASN 30 4.256 -8.426 -1.139
236 HD22 ASN 30 HD22 ASN 30 3.517 -9.440 0.078
237 H HIS 31 H HIS 31 5.118 -6.252 4.264
238 HA HIS 31 HA HIS 31 7.904 -6.643 4.934
239 HB2 HIS 31 HB2 HIS 31 7.166 -7.067 7.139
240 HB3 HIS 31 HB3 HIS 31 6.152 -5.786 6.511
241 HD1 HIS 31 HD1 HIS 31 5.982 -9.516 7.484
242 HD2 HIS 31 HD2 HIS 31 3.500 -6.280 6.401
243 HE1 HIS 31 HE1 HIS 31 3.601 -10.315 7.741
244 H ILE 32 H ILE 32 5.510 -8.777 3.638
245 HA ILE 32 HA ILE 32 6.423 -11.220 4.888
246 HB ILE 32 HB ILE 32 4.794 -10.651 2.395
247 HG12 ILE 32 HG12 ILE 32 4.178 -11.644 5.222
248 HG13 ILE 32 HG13 ILE 32 3.727 -10.092 4.517
249 HG21 ILE 32 HG21 ILE 32 5.457 -13.386 3.486
250 HG22 ILE 32 HG22 ILE 32 4.223 -13.031 2.246
251 HG23 ILE 32 HG23 ILE 32 5.901 -12.713 1.893
252 HD11 ILE 32 HD11 ILE 32 1.754 -11.433 4.543
253 HD12 ILE 32 HD12 ILE 32 2.288 -11.391 2.856
254 HD13 ILE 32 HD13 ILE 32 2.598 -12.824 3.871
255 H THR 33 H THR 33 7.265 -9.555 1.867
256 HA THR 33 HA THR 33 9.551 -11.474 1.603
257 HB THR 33 HB THR 33 7.674 -11.897 0.073
258 HG1 THR 33 HG1 THR 33 9.266 -12.656 -0.897
259 HG21 THR 33 HG21 THR 33 8.369 -9.252 -1.163
260 HG22 THR 33 HG22 THR 33 6.850 -9.617 -0.318
261 HG23 THR 33 HG23 THR 33 7.247 -10.440 -1.842
262 H ASN 34 H ASN 34 8.974 -8.482 2.667
263 HA ASN 34 HA ASN 34 10.186 -6.613 2.907
264 HB2 ASN 34 HB2 ASN 34 11.906 -8.510 3.449
265 HB3 ASN 34 HB3 ASN 34 12.619 -8.092 1.900
266 HD21 ASN 34 HD21 ASN 34 11.638 -6.786 5.079
267 HD22 ASN 34 HD22 ASN 34 12.862 -5.542 5.173
268 H ALA 35 H ALA 35 8.790 -6.985 0.541
269 HA ALA 35 HA ALA 35 10.403 -5.742 -1.639
270 HB1 ALA 35 HB1 ALA 35 7.652 -7.104 -1.645
271 HB2 ALA 35 HB2 ALA 35 8.353 -6.285 -3.037
272 HB3 ALA 35 HB3 ALA 35 9.175 -7.689 -2.381
273 H SER 36 H SER 36 8.876 -4.202 -2.963
274 HA SER 36 HA SER 36 7.075 -2.555 -1.470
275 HB2 SER 36 HB2 SER 36 8.403 -0.610 -1.376
276 HB3 SER 36 HB3 SER 36 9.427 -1.916 -0.805
277 HG SER 36 HG SER 36 10.719 -1.773 -2.434
278 H GLN 37 H GLN 37 6.154 -0.804 -2.884
279 HA GLN 37 HA GLN 37 6.868 -0.707 -5.598
280 HB2 GLN 37 HB2 GLN 37 5.031 -2.841 -5.016
281 HB3 GLN 37 HB3 GLN 37 4.056 -1.577 -5.738
282 HG2 GLN 37 HG2 GLN 37 6.623 -2.621 -7.008
283 HG3 GLN 37 HG3 GLN 37 5.032 -3.306 -7.324
284 HE21 GLN 37 HE21 GLN 37 3.661 -2.284 -8.850
285 HE22 GLN 37 HE22 GLN 37 4.128 -0.825 -9.688
286 H TRP 38 H TRP 38 5.226 0.797 -6.780
287 HA TRP 38 HA TRP 38 4.190 2.756 -4.785
288 HB2 TRP 38 HB2 TRP 38 4.720 3.193 -7.718
289 HB3 TRP 38 HB3 TRP 38 4.432 4.402 -6.469
290 HD1 TRP 38 HD1 TRP 38 7.026 1.787 -7.483
291 HE1 TRP 38 HE1 TRP 38 9.366 2.500 -6.698
292 HE3 TRP 38 HE3 TRP 38 5.697 5.874 -4.794
293 HZ2 TRP 38 HZ2 TRP 38 10.505 4.656 -5.094
294 HZ3 TRP 38 HZ3 TRP 38 7.408 7.236 -3.607
295 HH2 TRP 38 HH2 TRP 38 9.818 6.666 -3.793
296 H GLU 39 H GLU 39 3.166 0.546 -7.217
297 HA GLU 39 HA GLU 39 0.500 1.774 -7.597
298 HB2 GLU 39 HB2 GLU 39 1.699 -0.765 -8.758
299 HB3 GLU 39 HB3 GLU 39 0.208 0.019 -9.279
300 HG2 GLU 39 HG2 GLU 39 1.379 1.874 -10.222
301 HG3 GLU 39 HG3 GLU 39 2.891 1.468 -9.430
302 H ARG 40 H ARG 40 -1.464 0.553 -7.075
303 HA ARG 40 HA ARG 40 -1.503 -0.650 -4.568
304 HB2 ARG 40 HB2 ARG 40 -3.427 -0.507 -6.864
305 HB3 ARG 40 HB3 ARG 40 -3.820 -1.506 -5.470
306 HG2 ARG 40 HG2 ARG 40 -3.730 0.293 -3.923
307 HG3 ARG 40 HG3 ARG 40 -3.016 1.390 -5.110
308 HD2 ARG 40 HD2 ARG 40 -5.790 0.150 -5.329
309 HD3 ARG 40 HD3 ARG 40 -5.460 1.778 -4.736
310 HE ARG 40 HE ARG 40 -5.022 0.742 -7.503
311 HH11 ARG 40 HH11 ARG 40 -5.813 3.574 -5.530
312 HH12 ARG 40 HH12 ARG 40 -5.127 4.721 -6.652
313 HH21 ARG 40 HH21 ARG 40 -4.376 2.194 -9.037
314 HH22 ARG 40 HH22 ARG 40 -4.690 3.903 -8.886
315 HA PRO 41 HA PRO 41 -0.139 -4.798 -5.894
316 HB2 PRO 41 HB2 PRO 41 0.488 -5.781 -3.435
317 HB3 PRO 41 HB3 PRO 41 1.528 -4.589 -4.239
318 HG2 PRO 41 HG2 PRO 41 -0.621 -4.091 -2.154
319 HG3 PRO 41 HG3 PRO 41 1.043 -3.453 -2.161
320 HD2 PRO 41 HD2 PRO 41 -1.060 -2.000 -3.056
321 HD3 PRO 41 HD3 PRO 41 0.557 -1.896 -3.799
322 H SER 42 H SER 42 -0.791 -7.067 -4.885
323 HA SER 42 HA SER 42 -3.354 -7.109 -3.516
324 HB2 SER 42 HB2 SER 42 -3.664 -6.687 -6.108
325 HB3 SER 42 HB3 SER 42 -3.433 -8.429 -6.215
326 HG SER 42 HG SER 42 -5.599 -7.708 -5.953
327 H GLY 43 H GLY 43 -1.776 -8.058 -2.088
328 HA2 GLY 43 HA2 GLY 43 -1.412 -9.982 -0.810
329 HA3 GLY 43 HA3 GLY 43 -1.771 -10.995 -2.218
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -8.984 9.135 -9.438
2 HA2 GLY 1 HA2 GLY 1 -10.211 10.787 -7.310
3 HA3 GLY 1 HA3 GLY 1 -11.122 9.705 -8.380
4 H LEU 2 H LEU 2 -11.567 9.190 -5.817
5 HA LEU 2 HA LEU 2 -10.311 6.632 -5.419
6 HB2 LEU 2 HB2 LEU 2 -9.549 6.874 -3.255
7 HB3 LEU 2 HB3 LEU 2 -8.821 8.186 -4.144
8 HG LEU 2 HG LEU 2 -11.261 8.495 -2.324
9 HD11 LEU 2 HD11 LEU 2 -8.310 8.981 -1.735
10 HD12 LEU 2 HD12 LEU 2 -9.308 7.690 -1.048
11 HD13 LEU 2 HD13 LEU 2 -9.653 9.385 -0.653
12 HD21 LEU 2 HD21 LEU 2 -10.572 10.901 -2.299
13 HD22 LEU 2 HD22 LEU 2 -11.088 10.344 -3.884
14 HD23 LEU 2 HD23 LEU 2 -9.349 10.543 -3.539
15 H GLU 3 H GLU 3 -11.448 5.593 -3.350
16 HA GLU 3 HA GLU 3 -14.381 6.134 -3.592
17 HB2 GLU 3 HB2 GLU 3 -12.814 3.530 -3.278
18 HB3 GLU 3 HB3 GLU 3 -14.555 3.670 -3.029
19 HG2 GLU 3 HG2 GLU 3 -14.832 4.463 -5.358
20 HG3 GLU 3 HG3 GLU 3 -13.097 4.259 -5.640
21 H HIS 4 H HIS 4 -15.586 5.928 -1.651
22 HA HIS 4 HA HIS 4 -14.058 6.431 0.819
23 HB2 HIS 4 HB2 HIS 4 -16.831 6.889 -0.152
24 HB3 HIS 4 HB3 HIS 4 -16.697 6.426 1.529
25 HD1 HIS 4 HD1 HIS 4 -14.947 8.037 3.047
26 HD2 HIS 4 HD2 HIS 4 -16.326 9.446 -0.682
27 HE1 HIS 4 HE1 HIS 4 -14.609 10.549 3.060
28 H MET 5 H MET 5 -16.669 4.162 -0.234
29 HA MET 5 HA MET 5 -15.725 2.217 1.816
30 HB2 MET 5 HB2 MET 5 -18.395 2.548 0.400
31 HB3 MET 5 HB3 MET 5 -17.965 1.142 1.392
32 HG2 MET 5 HG2 MET 5 -17.536 2.592 3.321
33 HG3 MET 5 HG3 MET 5 -17.971 4.017 2.381
34 HE1 MET 5 HE1 MET 5 -20.211 4.567 1.507
35 HE2 MET 5 HE2 MET 5 -20.642 3.018 0.767
36 HE3 MET 5 HE3 MET 5 -21.743 3.775 1.939
37 H ALA 6 H ALA 6 -14.207 0.930 0.919
38 HA ALA 6 HA ALA 6 -14.904 -0.595 -1.480
39 HB1 ALA 6 HB1 ALA 6 -12.704 -0.099 -2.534
40 HB2 ALA 6 HB2 ALA 6 -13.676 1.361 -2.386
41 HB3 ALA 6 HB3 ALA 6 -12.340 1.070 -1.244
42 H ASP 7 H ASP 7 -13.025 -2.195 -1.783
43 HA ASP 7 HA ASP 7 -12.080 -3.251 0.831
44 HB2 ASP 7 HB2 ASP 7 -12.482 -5.399 0.161
45 HB3 ASP 7 HB3 ASP 7 -13.937 -4.533 -0.323
46 H GLU 8 H GLU 8 -11.109 -1.793 -2.052
47 HA GLU 8 HA GLU 8 -8.854 -3.288 -2.761
48 HB2 GLU 8 HB2 GLU 8 -8.121 -1.399 -3.977
49 HB3 GLU 8 HB3 GLU 8 -9.871 -1.491 -4.131
50 HG2 GLU 8 HG2 GLU 8 -10.164 0.320 -2.507
51 HG3 GLU 8 HG3 GLU 8 -8.428 0.372 -2.185
52 H GLU 9 H GLU 9 -9.398 -1.381 0.005
53 HA GLU 9 HA GLU 9 -6.651 -0.651 0.672
54 HB2 GLU 9 HB2 GLU 9 -9.324 -0.778 2.136
55 HB3 GLU 9 HB3 GLU 9 -7.821 -0.491 3.024
56 HG2 GLU 9 HG2 GLU 9 -7.442 1.417 1.271
57 HG3 GLU 9 HG3 GLU 9 -9.195 1.315 1.053
58 H LYS 10 H LYS 10 -8.388 -3.632 0.767
59 HA LYS 10 HA LYS 10 -7.017 -4.713 3.139
60 HB2 LYS 10 HB2 LYS 10 -8.743 -6.112 1.070
61 HB3 LYS 10 HB3 LYS 10 -8.291 -6.736 2.641
62 HG2 LYS 10 HG2 LYS 10 -10.092 -4.296 2.204
63 HG3 LYS 10 HG3 LYS 10 -10.639 -5.941 2.383
64 HD2 LYS 10 HD2 LYS 10 -10.980 -4.830 4.450
65 HD3 LYS 10 HD3 LYS 10 -9.740 -6.042 4.670
66 HE2 LYS 10 HE2 LYS 10 -9.269 -3.983 5.913
67 HE3 LYS 10 HE3 LYS 10 -8.000 -4.330 4.745
68 HZ1 LYS 10 HZ1 LYS 10 -8.934 -2.668 3.310
69 HZ2 LYS 10 HZ2 LYS 10 -8.629 -2.013 4.776
70 HZ3 LYS 10 HZ3 LYS 10 -10.181 -2.351 4.327
71 H LEU 11 H LEU 11 -4.895 -4.007 2.169
72 HA LEU 11 HA LEU 11 -3.792 -5.192 -0.081
73 HB2 LEU 11 HB2 LEU 11 -2.647 -4.136 2.514
74 HB3 LEU 11 HB3 LEU 11 -1.555 -5.000 1.465
75 HG LEU 11 HG LEU 11 -1.467 -2.588 1.098
76 HD11 LEU 11 HD11 LEU 11 -1.738 -2.541 -1.388
77 HD12 LEU 11 HD12 LEU 11 -2.586 -4.058 -1.343
78 HD13 LEU 11 HD13 LEU 11 -0.884 -3.971 -0.812
79 HD21 LEU 11 HD21 LEU 11 -3.374 -1.370 0.077
80 HD22 LEU 11 HD22 LEU 11 -3.786 -2.020 1.665
81 HD23 LEU 11 HD23 LEU 11 -4.369 -2.782 0.155
82 HA PRO 12 HA PRO 12 -3.362 -9.447 0.795
83 HB2 PRO 12 HB2 PRO 12 -0.936 -10.040 -0.434
84 HB3 PRO 12 HB3 PRO 12 -2.515 -9.902 -1.294
85 HG2 PRO 12 HG2 PRO 12 -0.233 -7.953 -1.055
86 HG3 PRO 12 HG3 PRO 12 -1.324 -8.196 -2.440
87 HD2 PRO 12 HD2 PRO 12 -1.504 -6.136 -0.643
88 HD3 PRO 12 HD3 PRO 12 -2.878 -6.756 -1.583
89 HA PRO 13 HA PRO 13 -0.558 -10.009 4.091
90 HB2 PRO 13 HB2 PRO 13 0.354 -12.565 3.936
91 HB3 PRO 13 HB3 PRO 13 -1.341 -12.159 4.314
92 HG2 PRO 13 HG2 PRO 13 -0.252 -12.895 1.598
93 HG3 PRO 13 HG3 PRO 13 -1.660 -13.584 2.478
94 HD2 PRO 13 HD2 PRO 13 -1.990 -11.649 0.646
95 HD3 PRO 13 HD3 PRO 13 -2.949 -11.610 2.138
96 H GLY 14 H GLY 14 1.489 -9.767 4.495
97 HA2 GLY 14 HA2 GLY 14 3.850 -9.616 4.221
98 HA3 GLY 14 HA3 GLY 14 3.650 -9.975 2.505
99 H TRP 15 H TRP 15 1.487 -7.989 2.044
100 HA TRP 15 HA TRP 15 3.233 -5.656 1.826
101 HB2 TRP 15 HB2 TRP 15 0.546 -6.368 0.630
102 HB3 TRP 15 HB3 TRP 15 1.360 -4.833 0.376
103 HD1 TRP 15 HD1 TRP 15 1.838 -8.579 -0.448
104 HE1 TRP 15 HE1 TRP 15 3.371 -8.767 -2.438
105 HE3 TRP 15 HE3 TRP 15 3.348 -3.725 -0.688
106 HZ2 TRP 15 HZ2 TRP 15 5.294 -7.075 -3.813
107 HZ3 TRP 15 HZ3 TRP 15 4.992 -3.001 -2.380
108 HH2 TRP 15 HH2 TRP 15 6.072 -4.655 -3.893
109 H GLU 16 H GLU 16 2.681 -3.624 2.522
110 HA GLU 16 HA GLU 16 0.414 -3.251 4.406
111 HB2 GLU 16 HB2 GLU 16 3.424 -2.745 4.713
112 HB3 GLU 16 HB3 GLU 16 2.258 -1.845 5.667
113 HG2 GLU 16 HG2 GLU 16 2.069 -4.857 5.682
114 HG3 GLU 16 HG3 GLU 16 3.377 -4.069 6.587
115 H LYS 17 H LYS 17 -0.648 -1.429 3.969
116 HA LYS 17 HA LYS 17 0.371 0.430 1.907
117 HB2 LYS 17 HB2 LYS 17 -1.929 -0.276 1.804
118 HB3 LYS 17 HB3 LYS 17 -2.212 0.182 3.490
119 HG2 LYS 17 HG2 LYS 17 -1.849 2.575 2.913
120 HG3 LYS 17 HG3 LYS 17 -1.622 2.144 1.224
121 HD2 LYS 17 HD2 LYS 17 -3.920 1.314 1.047
122 HD3 LYS 17 HD3 LYS 17 -4.136 1.340 2.790
123 HE2 LYS 17 HE2 LYS 17 -3.972 3.809 2.806
124 HE3 LYS 17 HE3 LYS 17 -3.695 3.782 1.055
125 HZ1 LYS 17 HZ1 LYS 17 -5.939 4.325 1.515
126 HZ2 LYS 17 HZ2 LYS 17 -6.231 2.970 2.353
127 HZ3 LYS 17 HZ3 LYS 17 -5.865 2.902 0.719
128 H ARG 18 H ARG 18 1.704 2.000 2.528
129 HA ARG 18 HA ARG 18 1.357 3.214 5.234
130 HB2 ARG 18 HB2 ARG 18 4.006 2.732 3.827
131 HB3 ARG 18 HB3 ARG 18 3.808 3.397 5.412
132 HG2 ARG 18 HG2 ARG 18 2.741 0.585 4.985
133 HG3 ARG 18 HG3 ARG 18 4.486 0.828 5.034
134 HD2 ARG 18 HD2 ARG 18 4.429 1.830 7.128
135 HD3 ARG 18 HD3 ARG 18 2.666 2.028 7.144
136 HE ARG 18 HE ARG 18 2.564 -0.489 7.196
137 HH11 ARG 18 HH11 ARG 18 5.276 1.252 8.754
138 HH12 ARG 18 HH12 ARG 18 5.624 -0.073 9.825
139 HH21 ARG 18 HH21 ARG 18 3.047 -2.195 8.733
140 HH22 ARG 18 HH22 ARG 18 4.435 -1.998 9.745
141 H MET 19 H MET 19 2.979 5.283 5.050
142 HA MET 19 HA MET 19 2.478 6.708 2.532
143 HB2 MET 19 HB2 MET 19 0.592 7.253 4.001
144 HB3 MET 19 HB3 MET 19 1.704 7.662 5.318
145 HG2 MET 19 HG2 MET 19 2.587 9.540 4.027
146 HG3 MET 19 HG3 MET 19 1.605 9.083 2.637
147 HE1 MET 19 HE1 MET 19 0.178 9.118 6.433
148 HE2 MET 19 HE2 MET 19 1.475 10.345 6.390
149 HE3 MET 19 HE3 MET 19 -0.227 10.837 6.544
150 H GLU 20 H GLU 20 4.060 8.139 2.029
151 HA GLU 20 HA GLU 20 6.667 7.871 3.341
152 HB2 GLU 20 HB2 GLU 20 5.635 9.642 1.049
153 HB3 GLU 20 HB3 GLU 20 7.296 9.629 1.645
154 HG2 GLU 20 HG2 GLU 20 6.884 6.983 1.270
155 HG3 GLU 20 HG3 GLU 20 5.862 7.616 -0.018
156 H ARG 21 H ARG 21 7.141 9.141 5.186
157 HA ARG 21 HA ARG 21 5.278 11.295 5.818
158 HB2 ARG 21 HB2 ARG 21 6.564 11.789 7.763
159 HB3 ARG 21 HB3 ARG 21 6.119 10.096 7.682
160 HG2 ARG 21 HG2 ARG 21 8.886 11.053 6.826
161 HG3 ARG 21 HG3 ARG 21 8.448 10.785 8.510
162 HD2 ARG 21 HD2 ARG 21 7.735 8.422 7.863
163 HD3 ARG 21 HD3 ARG 21 8.504 8.710 6.294
164 HE ARG 21 HE ARG 21 10.191 9.390 8.534
165 HH11 ARG 21 HH11 ARG 21 9.060 6.572 6.664
166 HH12 ARG 21 HH12 ARG 21 10.433 5.594 7.130
167 HH21 ARG 21 HH21 ARG 21 11.998 8.144 9.016
168 HH22 ARG 21 HH22 ARG 21 12.171 6.530 8.379
169 H SER 22 H SER 22 8.340 11.096 4.173
170 HA SER 22 HA SER 22 9.349 13.680 4.334
171 HB2 SER 22 HB2 SER 22 10.348 12.995 2.037
172 HB3 SER 22 HB3 SER 22 10.715 11.988 3.449
173 HG SER 22 HG SER 22 9.880 10.984 1.318
174 H SER 23 H SER 23 6.799 12.479 2.174
175 HA SER 23 HA SER 23 6.293 15.286 1.296
176 HB2 SER 23 HB2 SER 23 6.311 12.851 -0.527
177 HB3 SER 23 HB3 SER 23 5.894 14.501 -0.993
178 HG SER 23 HG SER 23 8.058 15.080 -0.307
179 H GLY 24 H GLY 24 4.987 12.117 2.301
180 HA2 GLY 24 HA2 GLY 24 2.858 11.791 3.101
181 HA3 GLY 24 HA3 GLY 24 2.357 13.382 2.504
182 H ARG 25 H ARG 25 3.638 10.223 1.139
183 HA ARG 25 HA ARG 25 1.496 10.413 -0.924
184 HB2 ARG 25 HB2 ARG 25 3.992 10.984 -1.632
185 HB3 ARG 25 HB3 ARG 25 4.215 9.247 -1.531
186 HG2 ARG 25 HG2 ARG 25 3.667 9.592 -3.780
187 HG3 ARG 25 HG3 ARG 25 2.151 9.041 -3.077
188 HD2 ARG 25 HD2 ARG 25 1.877 10.937 -4.689
189 HD3 ARG 25 HD3 ARG 25 1.248 11.286 -3.080
190 HE ARG 25 HE ARG 25 2.698 13.004 -2.858
191 HH11 ARG 25 HH11 ARG 25 3.964 11.090 -5.581
192 HH12 ARG 25 HH12 ARG 25 5.477 11.879 -5.633
193 HH21 ARG 25 HH21 ARG 25 4.432 14.260 -3.115
194 HH22 ARG 25 HH22 ARG 25 5.707 13.936 -4.262
195 H VAL 26 H VAL 26 0.289 8.546 -0.917
196 HA VAL 26 HA VAL 26 0.966 6.507 1.036
197 HB VAL 26 HB VAL 26 -1.305 6.463 -0.992
198 HG11 VAL 26 HG11 VAL 26 -2.426 5.144 0.746
199 HG12 VAL 26 HG12 VAL 26 -0.948 4.335 0.222
200 HG13 VAL 26 HG13 VAL 26 -0.979 5.209 1.771
201 HG21 VAL 26 HG21 VAL 26 -2.654 7.424 1.001
202 HG22 VAL 26 HG22 VAL 26 -1.087 7.921 1.672
203 HG23 VAL 26 HG23 VAL 26 -1.642 8.529 0.089
204 H TYR 27 H TYR 27 1.446 4.265 0.515
205 HA TYR 27 HA TYR 27 1.780 3.430 -2.229
206 HB2 TYR 27 HB2 TYR 27 4.125 3.157 -2.272
207 HB3 TYR 27 HB3 TYR 27 3.853 4.833 -1.862
208 HD1 TYR 27 HD2 TYR 27 3.950 5.433 0.740
209 HD2 TYR 27 HD1 TYR 27 5.636 1.897 -1.062
210 HE1 TYR 27 HE2 TYR 27 5.457 5.154 2.698
211 HE2 TYR 27 HE1 TYR 27 7.106 1.591 0.889
212 HH TYR 27 HH TYR 27 8.049 2.723 2.708
213 H TYR 28 H TYR 28 3.035 1.123 -2.062
214 HA TYR 28 HA TYR 28 2.028 -0.261 0.362
215 HB2 TYR 28 HB2 TYR 28 2.342 -1.344 -2.460
216 HB3 TYR 28 HB3 TYR 28 1.668 -2.147 -1.040
217 HD1 TYR 28 HD1 TYR 28 -0.219 -0.539 0.171
218 HD2 TYR 28 HD2 TYR 28 0.662 -0.656 -4.027
219 HE1 TYR 28 HE1 TYR 28 -2.438 0.435 -0.318
220 HE2 TYR 28 HE2 TYR 28 -1.595 0.218 -4.541
221 HH TYR 28 HH TYR 28 -3.894 0.694 -3.447
222 H PHE 29 H PHE 29 3.436 -1.683 1.368
223 HA PHE 29 HA PHE 29 6.230 -1.900 0.357
224 HB2 PHE 29 HB2 PHE 29 6.074 -0.125 2.039
225 HB3 PHE 29 HB3 PHE 29 5.223 -1.199 3.141
226 HD1 PHE 29 HD1 PHE 29 8.462 -0.397 1.572
227 HD2 PHE 29 HD2 PHE 29 6.416 -3.071 4.256
228 HE1 PHE 29 HE1 PHE 29 10.630 -1.134 2.473
229 HE2 PHE 29 HE2 PHE 29 8.617 -3.849 5.131
230 HZ PHE 29 HZ PHE 29 10.693 -2.792 4.357
231 H ASN 30 H ASN 30 6.952 -3.942 0.431
232 HA ASN 30 HA ASN 30 5.275 -6.021 1.718
233 HB2 ASN 30 HB2 ASN 30 6.008 -6.190 -0.643
234 HB3 ASN 30 HB3 ASN 30 7.641 -6.519 -0.073
235 HD21 ASN 30 HD21 ASN 30 5.903 -8.377 -1.595
236 HD22 ASN 30 HD22 ASN 30 5.683 -9.756 -0.559
237 H HIS 31 H HIS 31 5.829 -6.311 3.855
238 HA HIS 31 HA HIS 31 8.503 -5.868 4.870
239 HB2 HIS 31 HB2 HIS 31 7.694 -6.677 6.977
240 HB3 HIS 31 HB3 HIS 31 6.486 -5.616 6.262
241 HD1 HIS 31 HD1 HIS 31 7.011 -9.418 7.036
242 HD2 HIS 31 HD2 HIS 31 4.094 -6.628 5.809
243 HE1 HIS 31 HE1 HIS 31 4.802 -10.595 7.204
244 H ILE 32 H ILE 32 7.178 -8.534 3.207
245 HA ILE 32 HA ILE 32 8.721 -10.624 4.449
246 HB ILE 32 HB ILE 32 7.612 -10.436 1.612
247 HG12 ILE 32 HG12 ILE 32 6.560 -12.127 3.922
248 HG13 ILE 32 HG13 ILE 32 5.975 -10.495 3.610
249 HG21 ILE 32 HG21 ILE 32 7.922 -12.880 1.426
250 HG22 ILE 32 HG22 ILE 32 9.420 -11.998 1.505
251 HG23 ILE 32 HG23 ILE 32 8.826 -12.860 2.958
252 HD11 ILE 32 HD11 ILE 32 4.456 -12.089 2.610
253 HD12 ILE 32 HD12 ILE 32 5.262 -11.166 1.325
254 HD13 ILE 32 HD13 ILE 32 5.749 -12.839 1.675
255 H THR 33 H THR 33 9.337 -8.423 1.697
256 HA THR 33 HA THR 33 12.186 -9.265 2.003
257 HB THR 33 HB THR 33 10.961 -10.440 0.140
258 HG1 THR 33 HG1 THR 33 13.287 -9.230 -0.828
259 HG21 THR 33 HG21 THR 33 10.905 -9.409 -2.024
260 HG22 THR 33 HG22 THR 33 11.475 -7.864 -1.355
261 HG23 THR 33 HG23 THR 33 9.874 -8.517 -0.895
262 H ASN 34 H ASN 34 10.254 -6.792 2.440
263 HA ASN 34 HA ASN 34 10.704 -4.629 2.910
264 HB2 ASN 34 HB2 ASN 34 13.092 -5.552 3.386
265 HB3 ASN 34 HB3 ASN 34 13.534 -4.793 1.859
266 HD21 ASN 34 HD21 ASN 34 12.882 -2.382 1.741
267 HD22 ASN 34 HD22 ASN 34 13.196 -1.429 3.195
268 H ALA 35 H ALA 35 9.878 -5.801 0.268
269 HA ALA 35 HA ALA 35 10.866 -3.936 -1.764
270 HB1 ALA 35 HB1 ALA 35 9.302 -5.080 -3.274
271 HB2 ALA 35 HB2 ALA 35 10.243 -6.284 -2.397
272 HB3 ALA 35 HB3 ALA 35 8.554 -5.945 -1.940
273 H SER 36 H SER 36 8.912 -2.916 -3.137
274 HA SER 36 HA SER 36 6.666 -2.030 -1.645
275 HB2 SER 36 HB2 SER 36 7.301 0.229 -1.305
276 HB3 SER 36 HB3 SER 36 8.637 -0.768 -0.780
277 HG SER 36 HG SER 36 8.725 1.167 -2.549
278 H GLN 37 H GLN 37 5.226 -0.630 -2.960
279 HA GLN 37 HA GLN 37 5.943 0.009 -5.585
280 HB2 GLN 37 HB2 GLN 37 4.619 -2.644 -5.221
281 HB3 GLN 37 HB3 GLN 37 3.597 -1.552 -6.149
282 HG2 GLN 37 HG2 GLN 37 6.316 -2.558 -6.875
283 HG3 GLN 37 HG3 GLN 37 4.814 -2.694 -7.778
284 HE21 GLN 37 HE21 GLN 37 7.719 -1.066 -7.668
285 HE22 GLN 37 HE22 GLN 37 7.304 0.504 -8.277
286 H TRP 38 H TRP 38 3.913 0.827 -6.789
287 HA TRP 38 HA TRP 38 2.182 2.314 -4.869
288 HB2 TRP 38 HB2 TRP 38 2.758 2.908 -7.783
289 HB3 TRP 38 HB3 TRP 38 1.932 3.944 -6.622
290 HD1 TRP 38 HD1 TRP 38 5.367 2.676 -7.636
291 HE1 TRP 38 HE1 TRP 38 7.190 4.228 -6.715
292 HE3 TRP 38 HE3 TRP 38 2.511 5.575 -4.472
293 HZ2 TRP 38 HZ2 TRP 38 7.423 6.318 -4.755
294 HZ3 TRP 38 HZ3 TRP 38 3.598 7.219 -3.013
295 HH2 TRP 38 HH2 TRP 38 6.037 7.636 -3.138
296 H GLU 39 H GLU 39 2.288 0.056 -7.613
297 HA GLU 39 HA GLU 39 -0.583 0.139 -8.084
298 HB2 GLU 39 HB2 GLU 39 -0.177 -1.660 -9.646
299 HB3 GLU 39 HB3 GLU 39 1.024 -0.398 -9.904
300 HG2 GLU 39 HG2 GLU 39 2.743 -1.725 -8.779
301 HG3 GLU 39 HG3 GLU 39 1.561 -2.955 -8.303
302 H ARG 40 H ARG 40 -2.025 -1.644 -7.604
303 HA ARG 40 HA ARG 40 -1.804 -2.684 -4.993
304 HB2 ARG 40 HB2 ARG 40 -3.621 -3.191 -7.340
305 HB3 ARG 40 HB3 ARG 40 -3.672 -4.306 -5.973
306 HG2 ARG 40 HG2 ARG 40 -4.230 -2.561 -4.422
307 HG3 ARG 40 HG3 ARG 40 -3.921 -1.311 -5.635
308 HD2 ARG 40 HD2 ARG 40 -6.372 -1.773 -5.295
309 HD3 ARG 40 HD3 ARG 40 -5.831 -1.998 -6.956
310 HE ARG 40 HE ARG 40 -6.419 -4.175 -6.881
311 HH11 ARG 40 HH11 ARG 40 -6.260 -3.104 -3.437
312 HH12 ARG 40 HH12 ARG 40 -6.868 -4.598 -2.857
313 HH21 ARG 40 HH21 ARG 40 -6.971 -6.192 -5.998
314 HH22 ARG 40 HH22 ARG 40 -7.643 -6.241 -4.393
315 HA PRO 41 HA PRO 41 0.788 -6.242 -6.239
316 HB2 PRO 41 HB2 PRO 41 1.518 -7.067 -3.748
317 HB3 PRO 41 HB3 PRO 41 2.188 -5.582 -4.455
318 HG2 PRO 41 HG2 PRO 41 -0.130 -5.856 -2.513
319 HG3 PRO 41 HG3 PRO 41 1.236 -4.708 -2.414
320 HD2 PRO 41 HD2 PRO 41 -1.193 -4.009 -3.435
321 HD3 PRO 41 HD3 PRO 41 0.351 -3.322 -4.023
322 H SER 42 H SER 42 0.754 -8.690 -5.328
323 HA SER 42 HA SER 42 -1.808 -9.437 -4.165
324 HB2 SER 42 HB2 SER 42 -2.402 -10.967 -5.937
325 HB3 SER 42 HB3 SER 42 -2.401 -9.300 -6.504
326 HG SER 42 HG SER 42 -0.787 -9.746 -7.879
327 H GLY 43 H GLY 43 -0.103 -9.742 -2.502
328 HA2 GLY 43 HA2 GLY 43 0.895 -11.291 -1.066
329 HA3 GLY 43 HA3 GLY 43 0.631 -12.558 -2.280
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -25.753 9.700 -8.089
2 HA2 GLY 1 HA2 GLY 1 -24.619 7.464 -7.691
3 HA3 GLY 1 HA3 GLY 1 -23.299 8.148 -8.654
4 H LEU 2 H LEU 2 -22.736 7.326 -6.111
5 HA LEU 2 HA LEU 2 -22.157 9.816 -4.681
6 HB2 LEU 2 HB2 LEU 2 -22.930 9.010 -2.606
7 HB3 LEU 2 HB3 LEU 2 -24.290 8.823 -3.698
8 HG LEU 2 HG LEU 2 -22.392 6.586 -2.758
9 HD11 LEU 2 HD11 LEU 2 -24.311 5.841 -1.416
10 HD12 LEU 2 HD12 LEU 2 -25.218 7.290 -1.912
11 HD13 LEU 2 HD13 LEU 2 -23.729 7.428 -0.936
12 HD21 LEU 2 HD21 LEU 2 -24.163 5.060 -3.614
13 HD22 LEU 2 HD22 LEU 2 -23.332 5.914 -4.898
14 HD23 LEU 2 HD23 LEU 2 -24.966 6.437 -4.392
15 H GLU 3 H GLU 3 -20.649 9.197 -2.793
16 HA GLU 3 HA GLU 3 -18.768 7.088 -3.672
17 HB2 GLU 3 HB2 GLU 3 -17.004 8.495 -2.623
18 HB3 GLU 3 HB3 GLU 3 -17.749 9.161 -4.060
19 HG2 GLU 3 HG2 GLU 3 -17.418 10.969 -2.590
20 HG3 GLU 3 HG3 GLU 3 -19.152 10.684 -2.659
21 H HIS 4 H HIS 4 -17.851 5.775 -2.078
22 HA HIS 4 HA HIS 4 -18.621 6.040 0.689
23 HB2 HIS 4 HB2 HIS 4 -19.670 3.792 0.767
24 HB3 HIS 4 HB3 HIS 4 -20.631 4.937 -0.145
25 HD1 HIS 4 HD1 HIS 4 -17.937 2.226 -1.134
26 HD2 HIS 4 HD2 HIS 4 -21.711 3.822 -2.155
27 HE1 HIS 4 HE1 HIS 4 -18.839 0.793 -3.004
28 H MET 5 H MET 5 -17.527 4.380 1.983
29 HA MET 5 HA MET 5 -14.849 3.989 1.007
30 HB2 MET 5 HB2 MET 5 -16.285 3.143 3.575
31 HB3 MET 5 HB3 MET 5 -14.582 2.799 3.258
32 HG2 MET 5 HG2 MET 5 -14.556 4.749 4.548
33 HG3 MET 5 HG3 MET 5 -14.192 5.240 2.896
34 HE1 MET 5 HE1 MET 5 -14.740 7.574 2.498
35 HE2 MET 5 HE2 MET 5 -15.874 8.503 3.492
36 HE3 MET 5 HE3 MET 5 -14.514 7.655 4.262
37 H ALA 6 H ALA 6 -13.731 1.918 1.189
38 HA ALA 6 HA ALA 6 -15.287 -0.514 0.534
39 HB1 ALA 6 HB1 ALA 6 -12.914 0.568 -1.053
40 HB2 ALA 6 HB2 ALA 6 -13.713 -0.993 -1.331
41 HB3 ALA 6 HB3 ALA 6 -14.595 0.508 -1.609
42 H ASP 7 H ASP 7 -13.364 -2.318 0.298
43 HA ASP 7 HA ASP 7 -11.647 -2.138 2.719
44 HB2 ASP 7 HB2 ASP 7 -12.022 -4.573 3.016
45 HB3 ASP 7 HB3 ASP 7 -13.466 -3.604 3.242
46 H GLU 8 H GLU 8 -11.716 -2.529 -0.654
47 HA GLU 8 HA GLU 8 -9.654 -4.337 -1.133
48 HB2 GLU 8 HB2 GLU 8 -9.564 -3.271 -3.324
49 HB3 GLU 8 HB3 GLU 8 -11.234 -3.470 -2.798
50 HG2 GLU 8 HG2 GLU 8 -11.316 -1.101 -2.089
51 HG3 GLU 8 HG3 GLU 8 -9.630 -0.878 -2.609
52 H GLU 9 H GLU 9 -9.478 -1.228 0.313
53 HA GLU 9 HA GLU 9 -6.804 -0.476 -0.395
54 HB2 GLU 9 HB2 GLU 9 -8.655 0.189 1.917
55 HB3 GLU 9 HB3 GLU 9 -7.046 0.851 1.827
56 HG2 GLU 9 HG2 GLU 9 -8.077 2.561 0.770
57 HG3 GLU 9 HG3 GLU 9 -7.841 1.549 -0.663
58 H LYS 10 H LYS 10 -7.912 -3.021 1.821
59 HA LYS 10 HA LYS 10 -5.484 -2.857 3.500
60 HB2 LYS 10 HB2 LYS 10 -7.782 -4.855 3.375
61 HB3 LYS 10 HB3 LYS 10 -6.321 -5.081 4.323
62 HG2 LYS 10 HG2 LYS 10 -7.459 -4.169 5.950
63 HG3 LYS 10 HG3 LYS 10 -6.910 -2.652 5.262
64 HD2 LYS 10 HD2 LYS 10 -9.599 -3.915 4.569
65 HD3 LYS 10 HD3 LYS 10 -9.382 -2.935 6.005
66 HE2 LYS 10 HE2 LYS 10 -9.012 -1.967 3.146
67 HE3 LYS 10 HE3 LYS 10 -10.376 -1.648 4.219
68 HZ1 LYS 10 HZ1 LYS 10 -8.764 -0.561 5.739
69 HZ2 LYS 10 HZ2 LYS 10 -9.068 0.209 4.319
70 HZ3 LYS 10 HZ3 LYS 10 -7.638 -0.603 4.546
71 H LEU 11 H LEU 11 -3.678 -3.221 2.437
72 HA LEU 11 HA LEU 11 -3.188 -4.519 0.103
73 HB2 LEU 11 HB2 LEU 11 -1.475 -3.891 2.522
74 HB3 LEU 11 HB3 LEU 11 -0.779 -4.753 1.183
75 HG LEU 11 HG LEU 11 -0.375 -2.319 1.154
76 HD11 LEU 11 HD11 LEU 11 -1.799 -3.537 -1.222
77 HD12 LEU 11 HD12 LEU 11 -0.060 -3.396 -0.916
78 HD13 LEU 11 HD13 LEU 11 -1.041 -1.979 -1.318
79 HD21 LEU 11 HD21 LEU 11 -3.294 -2.012 0.374
80 HD22 LEU 11 HD22 LEU 11 -2.100 -0.741 0.527
81 HD23 LEU 11 HD23 LEU 11 -2.620 -1.578 1.981
82 HA PRO 12 HA PRO 12 -3.278 -8.868 0.555
83 HB2 PRO 12 HB2 PRO 12 -1.046 -9.641 -0.935
84 HB3 PRO 12 HB3 PRO 12 -2.694 -9.296 -1.559
85 HG2 PRO 12 HG2 PRO 12 -0.235 -7.608 -1.606
86 HG3 PRO 12 HG3 PRO 12 -1.604 -7.630 -2.757
87 HD2 PRO 12 HD2 PRO 12 -1.181 -5.719 -0.782
88 HD3 PRO 12 HD3 PRO 12 -2.759 -6.038 -1.518
89 HA PRO 13 HA PRO 13 -0.564 -10.095 3.756
90 HB2 PRO 13 HB2 PRO 13 -0.123 -12.783 3.467
91 HB3 PRO 13 HB3 PRO 13 -1.680 -12.066 3.975
92 HG2 PRO 13 HG2 PRO 13 -0.847 -12.881 1.172
93 HG3 PRO 13 HG3 PRO 13 -2.353 -13.305 2.054
94 HD2 PRO 13 HD2 PRO 13 -2.280 -11.250 0.269
95 HD3 PRO 13 HD3 PRO 13 -3.211 -11.091 1.792
96 H GLY 14 H GLY 14 1.350 -9.450 3.990
97 HA2 GLY 14 HA2 GLY 14 3.723 -9.925 3.947
98 HA3 GLY 14 HA3 GLY 14 3.602 -10.220 2.204
99 H TRP 15 H TRP 15 1.637 -7.967 1.845
100 HA TRP 15 HA TRP 15 3.668 -5.838 1.680
101 HB2 TRP 15 HB2 TRP 15 0.898 -6.112 0.503
102 HB3 TRP 15 HB3 TRP 15 1.947 -4.739 0.291
103 HD1 TRP 15 HD1 TRP 15 1.790 -8.479 -0.748
104 HE1 TRP 15 HE1 TRP 15 3.223 -8.719 -2.873
105 HE3 TRP 15 HE3 TRP 15 3.942 -3.884 -0.757
106 HZ2 TRP 15 HZ2 TRP 15 5.215 -7.172 -4.283
107 HZ3 TRP 15 HZ3 TRP 15 5.535 -3.239 -2.529
108 HH2 TRP 15 HH2 TRP 15 6.230 -4.892 -4.286
109 H GLU 16 H GLU 16 3.300 -3.812 2.466
110 HA GLU 16 HA GLU 16 1.108 -3.252 4.359
111 HB2 GLU 16 HB2 GLU 16 4.095 -3.488 4.782
112 HB3 GLU 16 HB3 GLU 16 3.283 -2.159 5.578
113 HG2 GLU 16 HG2 GLU 16 2.227 -4.976 5.782
114 HG3 GLU 16 HG3 GLU 16 3.503 -4.374 6.843
115 H LYS 17 H LYS 17 0.340 -1.215 4.080
116 HA LYS 17 HA LYS 17 1.624 0.545 2.126
117 HB2 LYS 17 HB2 LYS 17 -0.743 0.317 2.094
118 HB3 LYS 17 HB3 LYS 17 -0.894 0.695 3.821
119 HG2 LYS 17 HG2 LYS 17 -0.086 3.004 3.390
120 HG3 LYS 17 HG3 LYS 17 0.055 2.652 1.666
121 HD2 LYS 17 HD2 LYS 17 -2.241 2.583 1.352
122 HD3 LYS 17 HD3 LYS 17 -2.611 2.125 3.018
123 HE2 LYS 17 HE2 LYS 17 -1.382 4.824 2.400
124 HE3 LYS 17 HE3 LYS 17 -3.126 4.541 2.190
125 HZ1 LYS 17 HZ1 LYS 17 -3.039 5.283 4.272
126 HZ2 LYS 17 HZ2 LYS 17 -1.594 4.583 4.678
127 HZ3 LYS 17 HZ3 LYS 17 -2.985 3.700 4.594
128 H ARG 18 H ARG 18 3.018 2.058 2.526
129 HA ARG 18 HA ARG 18 3.280 3.187 5.268
130 HB2 ARG 18 HB2 ARG 18 5.427 2.435 3.225
131 HB3 ARG 18 HB3 ARG 18 5.782 3.174 4.771
132 HG2 ARG 18 HG2 ARG 18 4.437 0.431 4.563
133 HG3 ARG 18 HG3 ARG 18 6.175 0.653 4.520
134 HD2 ARG 18 HD2 ARG 18 6.196 1.690 6.687
135 HD3 ARG 18 HD3 ARG 18 4.439 1.794 6.746
136 HE ARG 18 HE ARG 18 6.135 -0.589 7.197
137 HH11 ARG 18 HH11 ARG 18 2.781 0.633 6.900
138 HH12 ARG 18 HH12 ARG 18 2.104 -0.649 7.820
139 HH21 ARG 18 HH21 ARG 18 5.256 -2.249 8.384
140 HH22 ARG 18 HH22 ARG 18 3.511 -2.397 8.569
141 H MET 19 H MET 19 4.846 5.165 5.032
142 HA MET 19 HA MET 19 4.358 6.764 2.627
143 HB2 MET 19 HB2 MET 19 2.466 7.394 4.097
144 HB3 MET 19 HB3 MET 19 3.621 7.736 5.407
145 HG2 MET 19 HG2 MET 19 4.742 9.402 3.874
146 HG3 MET 19 HG3 MET 19 3.412 9.181 2.734
147 HE1 MET 19 HE1 MET 19 0.413 10.785 4.627
148 HE2 MET 19 HE2 MET 19 1.054 10.453 3.005
149 HE3 MET 19 HE3 MET 19 0.843 9.126 4.165
150 H GLU 20 H GLU 20 6.198 7.782 2.179
151 HA GLU 20 HA GLU 20 8.492 7.257 3.884
152 HB2 GLU 20 HB2 GLU 20 8.128 8.682 1.279
153 HB3 GLU 20 HB3 GLU 20 9.676 8.785 2.133
154 HG2 GLU 20 HG2 GLU 20 8.347 6.234 1.243
155 HG3 GLU 20 HG3 GLU 20 9.648 7.079 0.402
156 H ARG 21 H ARG 21 9.538 8.537 5.353
157 HA ARG 21 HA ARG 21 8.386 11.189 5.951
158 HB2 ARG 21 HB2 ARG 21 10.716 9.549 7.072
159 HB3 ARG 21 HB3 ARG 21 10.439 11.210 7.556
160 HG2 ARG 21 HG2 ARG 21 8.468 8.914 7.930
161 HG3 ARG 21 HG3 ARG 21 9.491 9.617 9.179
162 HD2 ARG 21 HD2 ARG 21 7.184 10.964 7.728
163 HD3 ARG 21 HD3 ARG 21 7.250 10.491 9.423
164 HE ARG 21 HE ARG 21 9.324 12.167 9.361
165 HH11 ARG 21 HH11 ARG 21 5.957 12.579 8.384
166 HH12 ARG 21 HH12 ARG 21 6.032 14.307 8.274
167 HH21 ARG 21 HH21 ARG 21 9.428 14.481 9.307
168 HH22 ARG 21 HH22 ARG 21 8.044 15.404 8.873
169 H SER 22 H SER 22 10.772 9.855 3.871
170 HA SER 22 HA SER 22 12.713 11.817 3.606
171 HB2 SER 22 HB2 SER 22 12.632 9.529 2.554
172 HB3 SER 22 HB3 SER 22 11.429 10.113 1.416
173 HG SER 22 HG SER 22 14.157 10.843 1.669
174 H SER 23 H SER 23 9.653 11.537 1.696
175 HA SER 23 HA SER 23 9.631 14.481 1.376
176 HB2 SER 23 HB2 SER 23 9.425 12.434 -0.860
177 HB3 SER 23 HB3 SER 23 8.823 14.070 -1.012
178 HG SER 23 HG SER 23 11.448 13.116 -0.765
179 H GLY 24 H GLY 24 7.876 11.640 2.250
180 HA2 GLY 24 HA2 GLY 24 5.728 11.666 3.142
181 HA3 GLY 24 HA3 GLY 24 5.481 13.283 2.508
182 H ARG 25 H ARG 25 6.250 9.973 1.170
183 HA ARG 25 HA ARG 25 4.005 10.471 -0.752
184 HB2 ARG 25 HB2 ARG 25 6.454 10.785 -1.650
185 HB3 ARG 25 HB3 ARG 25 6.520 9.037 -1.590
186 HG2 ARG 25 HG2 ARG 25 5.768 9.286 -3.750
187 HG3 ARG 25 HG3 ARG 25 4.206 9.199 -2.926
188 HD2 ARG 25 HD2 ARG 25 4.037 11.028 -4.417
189 HD3 ARG 25 HD3 ARG 25 4.315 11.789 -2.836
190 HE ARG 25 HE ARG 25 6.725 11.204 -4.397
191 HH11 ARG 25 HH11 ARG 25 4.144 13.623 -4.147
192 HH12 ARG 25 HH12 ARG 25 5.136 14.905 -4.803
193 HH21 ARG 25 HH21 ARG 25 7.903 12.749 -5.371
194 HH22 ARG 25 HH22 ARG 25 7.440 14.420 -5.389
195 H VAL 26 H VAL 26 2.548 8.818 -0.795
196 HA VAL 26 HA VAL 26 2.889 6.667 1.118
197 HB VAL 26 HB VAL 26 0.651 7.182 -0.889
198 HG11 VAL 26 HG11 VAL 26 0.572 4.911 0.091
199 HG12 VAL 26 HG12 VAL 26 0.653 5.602 1.729
200 HG13 VAL 26 HG13 VAL 26 -0.754 5.901 0.677
201 HG21 VAL 26 HG21 VAL 26 -0.546 8.281 1.006
202 HG22 VAL 26 HG22 VAL 26 0.921 8.136 1.999
203 HG23 VAL 26 HG23 VAL 26 0.892 9.177 0.555
204 H TYR 27 H TYR 27 3.142 4.464 0.629
205 HA TYR 27 HA TYR 27 3.247 3.506 -2.107
206 HB2 TYR 27 HB2 TYR 27 5.515 2.947 -2.182
207 HB3 TYR 27 HB3 TYR 27 5.478 4.635 -1.748
208 HD1 TYR 27 HD2 TYR 27 5.632 5.155 0.885
209 HD2 TYR 27 HD1 TYR 27 6.850 1.456 -0.961
210 HE1 TYR 27 HE2 TYR 27 7.256 4.766 2.713
211 HE2 TYR 27 HE1 TYR 27 8.362 0.990 0.914
212 HH TYR 27 HH TYR 27 9.372 3.657 2.937
213 H TYR 28 H TYR 28 4.213 1.072 -1.938
214 HA TYR 28 HA TYR 28 3.100 -0.210 0.506
215 HB2 TYR 28 HB2 TYR 28 3.217 -1.260 -2.342
216 HB3 TYR 28 HB3 TYR 28 2.511 -2.064 -0.957
217 HD1 TYR 28 HD1 TYR 28 0.892 0.068 0.315
218 HD2 TYR 28 HD2 TYR 28 1.454 -0.844 -3.827
219 HE1 TYR 28 HE1 TYR 28 -1.247 1.175 -0.182
220 HE2 TYR 28 HE2 TYR 28 -0.752 0.158 -4.355
221 HH TYR 28 HH TYR 28 -2.320 1.750 -3.489
222 H PHE 29 H PHE 29 4.339 -1.829 1.423
223 HA PHE 29 HA PHE 29 7.057 -2.369 0.278
224 HB2 PHE 29 HB2 PHE 29 7.206 -0.708 2.109
225 HB3 PHE 29 HB3 PHE 29 6.334 -1.802 3.179
226 HD1 PHE 29 HD2 PHE 29 7.421 -3.972 3.951
227 HD2 PHE 29 HD1 PHE 29 9.535 -1.143 1.461
228 HE1 PHE 29 HE2 PHE 29 9.575 -5.069 4.484
229 HE2 PHE 29 HE1 PHE 29 11.655 -2.299 1.984
230 HZ PHE 29 HZ PHE 29 11.693 -4.210 3.561
231 H ASN 30 H ASN 30 7.509 -4.483 0.208
232 HA ASN 30 HA ASN 30 5.613 -6.430 1.422
233 HB2 ASN 30 HB2 ASN 30 6.165 -6.491 -1.002
234 HB3 ASN 30 HB3 ASN 30 7.813 -6.957 -0.575
235 HD21 ASN 30 HD21 ASN 30 6.244 -8.747 -2.154
236 HD22 ASN 30 HD22 ASN 30 5.806 -10.097 -1.142
237 H HIS 31 H HIS 31 6.255 -7.062 3.503
238 HA HIS 31 HA HIS 31 9.075 -6.976 4.254
239 HB2 HIS 31 HB2 HIS 31 8.372 -7.514 6.421
240 HB3 HIS 31 HB3 HIS 31 7.150 -6.415 5.794
241 HD1 HIS 31 HD1 HIS 31 7.658 -10.141 6.705
242 HD2 HIS 31 HD2 HIS 31 4.620 -7.401 5.649
243 HE1 HIS 31 HE1 HIS 31 5.462 -11.364 6.934
244 H ILE 32 H ILE 32 7.181 -9.333 2.668
245 HA ILE 32 HA ILE 32 8.484 -11.669 3.817
246 HB ILE 32 HB ILE 32 6.811 -11.162 1.338
247 HG12 ILE 32 HG12 ILE 32 6.302 -12.430 4.062
248 HG13 ILE 32 HG13 ILE 32 5.634 -10.937 3.439
249 HG21 ILE 32 HG21 ILE 32 7.930 -13.823 2.175
250 HG22 ILE 32 HG22 ILE 32 6.600 -13.580 1.028
251 HG23 ILE 32 HG23 ILE 32 8.170 -12.922 0.645
252 HD11 ILE 32 HD11 ILE 32 3.897 -12.556 3.344
253 HD12 ILE 32 HD12 ILE 32 4.425 -12.304 1.664
254 HD13 ILE 32 HD13 ILE 32 4.933 -13.757 2.562
255 H THR 33 H THR 33 9.021 -9.548 0.989
256 HA THR 33 HA THR 33 11.637 -10.936 0.676
257 HB THR 33 HB THR 33 9.863 -11.624 -0.932
258 HG1 THR 33 HG1 THR 33 12.109 -11.878 -1.206
259 HG21 THR 33 HG21 THR 33 8.922 -9.374 -1.442
260 HG22 THR 33 HG22 THR 33 9.418 -10.286 -2.881
261 HG23 THR 33 HG23 THR 33 10.455 -8.988 -2.269
262 H ASN 34 H ASN 34 10.479 -8.144 1.820
263 HA ASN 34 HA ASN 34 11.458 -6.182 2.249
264 HB2 ASN 34 HB2 ASN 34 13.527 -7.834 2.284
265 HB3 ASN 34 HB3 ASN 34 13.973 -7.028 0.796
266 HD21 ASN 34 HD21 ASN 34 13.536 -4.353 1.304
267 HD22 ASN 34 HD22 ASN 34 14.378 -3.815 2.767
268 H ALA 35 H ALA 35 10.069 -6.856 -0.347
269 HA ALA 35 HA ALA 35 11.263 -5.003 -2.311
270 HB1 ALA 35 HB1 ALA 35 8.860 -6.891 -2.445
271 HB2 ALA 35 HB2 ALA 35 9.328 -5.785 -3.745
272 HB3 ALA 35 HB3 ALA 35 10.441 -7.047 -3.236
273 H SER 36 H SER 36 9.353 -3.698 -3.480
274 HA SER 36 HA SER 36 7.398 -2.541 -1.757
275 HB2 SER 36 HB2 SER 36 8.370 -0.400 -1.582
276 HB3 SER 36 HB3 SER 36 9.609 -1.537 -1.143
277 HG SER 36 HG SER 36 9.924 0.285 -2.974
278 H GLN 37 H GLN 37 6.116 -0.881 -3.008
279 HA GLN 37 HA GLN 37 6.628 -0.474 -5.728
280 HB2 GLN 37 HB2 GLN 37 4.701 -2.692 -4.965
281 HB3 GLN 37 HB3 GLN 37 4.115 -1.607 -6.187
282 HG2 GLN 37 HG2 GLN 37 6.799 -2.347 -6.952
283 HG3 GLN 37 HG3 GLN 37 5.897 -3.785 -6.494
284 HE21 GLN 37 HE21 GLN 37 5.813 -0.881 -8.544
285 HE22 GLN 37 HE22 GLN 37 4.797 -1.513 -9.814
286 H TRP 38 H TRP 38 4.638 0.615 -6.722
287 HA TRP 38 HA TRP 38 3.278 2.376 -4.736
288 HB2 TRP 38 HB2 TRP 38 3.736 2.893 -7.681
289 HB3 TRP 38 HB3 TRP 38 3.139 4.025 -6.477
290 HD1 TRP 38 HD1 TRP 38 6.298 2.378 -7.742
291 HE1 TRP 38 HE1 TRP 38 8.399 3.494 -6.774
292 HE3 TRP 38 HE3 TRP 38 4.044 5.463 -4.374
293 HZ2 TRP 38 HZ2 TRP 38 8.983 5.697 -4.983
294 HZ3 TRP 38 HZ3 TRP 38 5.393 7.058 -3.052
295 HH2 TRP 38 HH2 TRP 38 7.840 7.234 -3.386
296 H GLU 39 H GLU 39 2.986 0.204 -7.472
297 HA GLU 39 HA GLU 39 0.182 0.466 -8.087
298 HB2 GLU 39 HB2 GLU 39 2.373 -1.610 -8.597
299 HB3 GLU 39 HB3 GLU 39 0.769 -1.764 -9.279
300 HG2 GLU 39 HG2 GLU 39 2.521 0.678 -9.782
301 HG3 GLU 39 HG3 GLU 39 2.609 -0.794 -10.752
302 H ARG 40 H ARG 40 -1.488 -1.058 -7.524
303 HA ARG 40 HA ARG 40 -1.314 -2.188 -4.927
304 HB2 ARG 40 HB2 ARG 40 -3.329 -2.393 -7.149
305 HB3 ARG 40 HB3 ARG 40 -3.455 -3.457 -5.742
306 HG2 ARG 40 HG2 ARG 40 -3.467 -1.539 -4.202
307 HG3 ARG 40 HG3 ARG 40 -3.166 -0.442 -5.502
308 HD2 ARG 40 HD2 ARG 40 -5.463 -0.194 -5.227
309 HD3 ARG 40 HD3 ARG 40 -5.447 -1.411 -6.503
310 HE ARG 40 HE ARG 40 -6.010 -1.787 -3.602
311 HH11 ARG 40 HH11 ARG 40 -6.091 -3.358 -6.869
312 HH12 ARG 40 HH12 ARG 40 -6.760 -4.786 -6.202
313 HH21 ARG 40 HH21 ARG 40 -7.118 -3.635 -2.906
314 HH22 ARG 40 HH22 ARG 40 -7.521 -4.885 -4.025
315 HA PRO 41 HA PRO 41 1.018 -5.826 -6.220
316 HB2 PRO 41 HB2 PRO 41 1.356 -6.918 -3.700
317 HB3 PRO 41 HB3 PRO 41 2.331 -5.587 -4.396
318 HG2 PRO 41 HG2 PRO 41 0.045 -5.467 -2.461
319 HG3 PRO 41 HG3 PRO 41 1.532 -4.488 -2.465
320 HD2 PRO 41 HD2 PRO 41 -0.912 -3.626 -3.417
321 HD3 PRO 41 HD3 PRO 41 0.664 -3.025 -3.985
322 H SER 42 H SER 42 0.839 -8.317 -5.088
323 HA SER 42 HA SER 42 -1.925 -9.135 -4.779
324 HB2 SER 42 HB2 SER 42 -1.476 -10.752 -6.896
325 HB3 SER 42 HB3 SER 42 -2.131 -9.142 -7.129
326 HG SER 42 HG SER 42 0.586 -9.910 -7.419
327 H GLY 43 H GLY 43 -1.830 -10.529 -3.236
328 HA2 GLY 43 HA2 GLY 43 0.623 -11.963 -2.520
329 HA3 GLY 43 HA3 GLY 43 -0.954 -12.082 -1.702
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -12.555 7.680 -3.518
2 HA2 GLY 1 HA2 GLY 1 -14.181 9.499 -3.587
3 HA3 GLY 1 HA3 GLY 1 -14.977 7.930 -3.308
4 H LEU 2 H LEU 2 -16.583 8.175 -1.825
5 HA LEU 2 HA LEU 2 -15.950 9.240 0.797
6 HB2 LEU 2 HB2 LEU 2 -16.540 11.260 -0.567
7 HB3 LEU 2 HB3 LEU 2 -18.154 10.616 -0.812
8 HG LEU 2 HG LEU 2 -16.906 11.189 1.928
9 HD11 LEU 2 HD11 LEU 2 -17.025 13.243 0.697
10 HD12 LEU 2 HD12 LEU 2 -18.334 13.240 1.875
11 HD13 LEU 2 HD13 LEU 2 -18.684 12.905 0.158
12 HD21 LEU 2 HD21 LEU 2 -19.771 10.538 1.117
13 HD22 LEU 2 HD22 LEU 2 -19.310 11.271 2.686
14 HD23 LEU 2 HD23 LEU 2 -18.733 9.679 2.274
15 H GLU 3 H GLU 3 -19.099 8.809 -0.950
16 HA GLU 3 HA GLU 3 -20.001 7.012 1.133
17 HB2 GLU 3 HB2 GLU 3 -21.376 8.768 0.026
18 HB3 GLU 3 HB3 GLU 3 -21.352 7.830 -1.472
19 HG2 GLU 3 HG2 GLU 3 -22.686 6.097 -0.559
20 HG3 GLU 3 HG3 GLU 3 -22.366 6.597 1.103
21 H HIS 4 H HIS 4 -17.906 6.313 -1.339
22 HA HIS 4 HA HIS 4 -19.155 3.646 -1.907
23 HB2 HIS 4 HB2 HIS 4 -16.959 5.091 -3.409
24 HB3 HIS 4 HB3 HIS 4 -17.666 3.530 -3.810
25 HD1 HIS 4 HD1 HIS 4 -17.854 5.313 -6.104
26 HD2 HIS 4 HD2 HIS 4 -20.687 5.410 -2.989
27 HE1 HIS 4 HE1 HIS 4 -19.968 6.462 -7.040
28 H MET 5 H MET 5 -18.182 1.862 -1.302
29 HA MET 5 HA MET 5 -16.081 1.781 0.638
30 HB2 MET 5 HB2 MET 5 -16.309 -0.673 0.326
31 HB3 MET 5 HB3 MET 5 -17.890 0.095 0.505
32 HG2 MET 5 HG2 MET 5 -18.313 -0.058 -1.878
33 HG3 MET 5 HG3 MET 5 -16.652 -0.552 -2.207
34 HE1 MET 5 HE1 MET 5 -19.030 -1.954 -3.506
35 HE2 MET 5 HE2 MET 5 -17.353 -2.498 -3.733
36 HE3 MET 5 HE3 MET 5 -18.618 -3.673 -3.306
37 H ALA 6 H ALA 6 -14.057 0.371 0.280
38 HA ALA 6 HA ALA 6 -13.016 0.376 -2.494
39 HB1 ALA 6 HB1 ALA 6 -12.309 2.538 -1.619
40 HB2 ALA 6 HB2 ALA 6 -11.632 1.769 -0.159
41 HB3 ALA 6 HB3 ALA 6 -10.909 1.465 -1.748
42 H ASP 7 H ASP 7 -11.022 -0.840 -2.663
43 HA ASP 7 HA ASP 7 -10.765 -3.009 -0.629
44 HB2 ASP 7 HB2 ASP 7 -10.510 -3.167 -3.647
45 HB3 ASP 7 HB3 ASP 7 -10.112 -4.472 -2.525
46 H GLU 8 H GLU 8 -9.078 -0.698 -2.689
47 HA GLU 8 HA GLU 8 -6.515 -1.770 -2.639
48 HB2 GLU 8 HB2 GLU 8 -5.770 0.442 -3.235
49 HB3 GLU 8 HB3 GLU 8 -7.313 0.084 -4.008
50 HG2 GLU 8 HG2 GLU 8 -7.513 2.306 -3.361
51 HG3 GLU 8 HG3 GLU 8 -8.467 1.412 -2.191
52 H GLU 9 H GLU 9 -8.234 -0.325 0.003
53 HA GLU 9 HA GLU 9 -5.901 0.341 1.551
54 HB2 GLU 9 HB2 GLU 9 -8.379 1.296 1.504
55 HB3 GLU 9 HB3 GLU 9 -8.680 0.021 2.685
56 HG2 GLU 9 HG2 GLU 9 -7.057 0.972 4.211
57 HG3 GLU 9 HG3 GLU 9 -6.441 2.062 2.965
58 H LYS 10 H LYS 10 -7.227 -2.703 0.824
59 HA LYS 10 HA LYS 10 -6.357 -3.847 3.458
60 HB2 LYS 10 HB2 LYS 10 -8.392 -4.904 1.506
61 HB3 LYS 10 HB3 LYS 10 -7.833 -5.761 2.921
62 HG2 LYS 10 HG2 LYS 10 -8.806 -4.260 4.466
63 HG3 LYS 10 HG3 LYS 10 -9.083 -2.997 3.248
64 HD2 LYS 10 HD2 LYS 10 -10.413 -5.715 3.250
65 HD3 LYS 10 HD3 LYS 10 -11.163 -4.251 3.910
66 HE2 LYS 10 HE2 LYS 10 -11.431 -3.243 1.855
67 HE3 LYS 10 HE3 LYS 10 -9.989 -4.008 1.175
68 HZ1 LYS 10 HZ1 LYS 10 -12.174 -4.875 0.253
69 HZ2 LYS 10 HZ2 LYS 10 -12.464 -5.559 1.728
70 HZ3 LYS 10 HZ3 LYS 10 -11.176 -6.024 0.860
71 H LEU 11 H LEU 11 -4.343 -3.651 2.612
72 HA LEU 11 HA LEU 11 -3.385 -4.979 0.314
73 HB2 LEU 11 HB2 LEU 11 -2.018 -4.092 2.876
74 HB3 LEU 11 HB3 LEU 11 -1.091 -4.963 1.707
75 HG LEU 11 HG LEU 11 -0.825 -2.531 1.504
76 HD11 LEU 11 HD11 LEU 11 -1.983 -4.045 -0.873
77 HD12 LEU 11 HD12 LEU 11 -0.315 -3.604 -0.512
78 HD13 LEU 11 HD13 LEU 11 -1.471 -2.379 -1.050
79 HD21 LEU 11 HD21 LEU 11 -3.750 -2.431 0.679
80 HD22 LEU 11 HD22 LEU 11 -2.637 -1.106 0.671
81 HD23 LEU 11 HD23 LEU 11 -3.080 -1.833 2.209
82 HA PRO 12 HA PRO 12 -3.330 -9.295 1.220
83 HB2 PRO 12 HB2 PRO 12 -0.912 -9.977 -0.085
84 HB3 PRO 12 HB3 PRO 12 -2.545 -9.920 -0.833
85 HG2 PRO 12 HG2 PRO 12 -0.289 -8.051 -1.086
86 HG3 PRO 12 HG3 PRO 12 -1.708 -8.250 -2.148
87 HD2 PRO 12 HD2 PRO 12 -1.263 -6.186 -0.263
88 HD3 PRO 12 HD3 PRO 12 -2.799 -6.529 -1.087
89 HA PRO 13 HA PRO 13 -0.590 -10.207 4.505
90 HB2 PRO 13 HB2 PRO 13 0.390 -12.758 3.996
91 HB3 PRO 13 HB3 PRO 13 -1.220 -12.385 4.686
92 HG2 PRO 13 HG2 PRO 13 -0.498 -12.997 1.809
93 HG3 PRO 13 HG3 PRO 13 -1.901 -13.596 2.753
94 HD2 PRO 13 HD2 PRO 13 -2.159 -11.562 1.026
95 HD3 PRO 13 HD3 PRO 13 -3.021 -11.530 2.592
96 H GLY 14 H GLY 14 1.335 -9.709 4.923
97 HA2 GLY 14 HA2 GLY 14 3.704 -9.545 4.827
98 HA3 GLY 14 HA3 GLY 14 3.648 -9.931 3.103
99 H TRP 15 H TRP 15 1.520 -7.914 2.506
100 HA TRP 15 HA TRP 15 3.410 -5.687 2.212
101 HB2 TRP 15 HB2 TRP 15 0.662 -6.248 1.073
102 HB3 TRP 15 HB3 TRP 15 1.585 -4.799 0.738
103 HD1 TRP 15 HD1 TRP 15 1.713 -8.599 0.043
104 HE1 TRP 15 HE1 TRP 15 3.180 -8.991 -2.006
105 HE3 TRP 15 HE3 TRP 15 3.569 -3.889 -0.469
106 HZ2 TRP 15 HZ2 TRP 15 5.050 -7.446 -3.621
107 HZ3 TRP 15 HZ3 TRP 15 5.173 -3.353 -2.294
108 HH2 TRP 15 HH2 TRP 15 5.947 -5.140 -3.860
109 H GLU 16 H GLU 16 2.927 -3.567 2.739
110 HA GLU 16 HA GLU 16 0.758 -2.914 4.682
111 HB2 GLU 16 HB2 GLU 16 3.792 -2.596 4.836
112 HB3 GLU 16 HB3 GLU 16 2.751 -1.482 5.697
113 HG2 GLU 16 HG2 GLU 16 2.258 -4.422 6.107
114 HG3 GLU 16 HG3 GLU 16 3.679 -3.683 6.861
115 H LYS 17 H LYS 17 -0.129 -0.929 4.198
116 HA LYS 17 HA LYS 17 0.998 0.647 1.955
117 HB2 LYS 17 HB2 LYS 17 -1.374 0.141 1.974
118 HB3 LYS 17 HB3 LYS 17 -1.580 0.886 3.560
119 HG2 LYS 17 HG2 LYS 17 -0.887 3.095 2.595
120 HG3 LYS 17 HG3 LYS 17 -0.728 2.331 1.010
121 HD2 LYS 17 HD2 LYS 17 -3.201 1.693 1.173
122 HD3 LYS 17 HD3 LYS 17 -3.279 2.609 2.689
123 HE2 LYS 17 HE2 LYS 17 -2.598 4.645 1.573
124 HE3 LYS 17 HE3 LYS 17 -2.306 3.784 0.050
125 HZ1 LYS 17 HZ1 LYS 17 -4.389 4.974 0.089
126 HZ2 LYS 17 HZ2 LYS 17 -4.946 4.111 1.341
127 HZ3 LYS 17 HZ3 LYS 17 -4.670 3.368 -0.129
128 H ARG 18 H ARG 18 2.432 2.198 2.372
129 HA ARG 18 HA ARG 18 2.172 3.746 4.889
130 HB2 ARG 18 HB2 ARG 18 4.868 2.928 3.781
131 HB3 ARG 18 HB3 ARG 18 4.524 3.738 5.289
132 HG2 ARG 18 HG2 ARG 18 3.100 1.350 5.556
133 HG3 ARG 18 HG3 ARG 18 4.531 0.839 4.675
134 HD2 ARG 18 HD2 ARG 18 5.961 1.719 6.440
135 HD3 ARG 18 HD3 ARG 18 4.583 2.474 7.250
136 HE ARG 18 HE ARG 18 3.666 0.040 7.341
137 HH11 ARG 18 HH11 ARG 18 6.968 1.109 8.213
138 HH12 ARG 18 HH12 ARG 18 7.236 -0.269 9.236
139 HH21 ARG 18 HH21 ARG 18 4.075 -1.738 8.745
140 HH22 ARG 18 HH22 ARG 18 5.570 -1.821 9.612
141 H MET 19 H MET 19 3.877 5.654 4.681
142 HA MET 19 HA MET 19 3.698 6.832 2.000
143 HB2 MET 19 HB2 MET 19 1.762 7.601 3.434
144 HB3 MET 19 HB3 MET 19 2.945 8.252 4.582
145 HG2 MET 19 HG2 MET 19 3.894 9.454 2.435
146 HG3 MET 19 HG3 MET 19 2.316 9.104 1.749
147 HE1 MET 19 HE1 MET 19 3.435 12.127 5.034
148 HE2 MET 19 HE2 MET 19 3.725 10.389 5.286
149 HE3 MET 19 HE3 MET 19 4.544 11.243 3.986
150 H GLU 20 H GLU 20 5.420 8.103 1.503
151 HA GLU 20 HA GLU 20 7.904 7.773 2.941
152 HB2 GLU 20 HB2 GLU 20 7.086 9.533 0.563
153 HB3 GLU 20 HB3 GLU 20 8.746 9.284 1.132
154 HG2 GLU 20 HG2 GLU 20 8.400 6.843 0.828
155 HG3 GLU 20 HG3 GLU 20 6.861 7.157 0.024
156 H ARG 21 H ARG 21 8.208 8.962 4.877
157 HA ARG 21 HA ARG 21 6.768 11.452 5.321
158 HB2 ARG 21 HB2 ARG 21 7.920 9.651 7.007
159 HB3 ARG 21 HB3 ARG 21 9.241 10.821 6.909
160 HG2 ARG 21 HG2 ARG 21 7.435 12.607 7.478
161 HG3 ARG 21 HG3 ARG 21 6.381 11.245 7.857
162 HD2 ARG 21 HD2 ARG 21 8.891 12.166 9.261
163 HD3 ARG 21 HD3 ARG 21 7.291 11.940 9.928
164 HE ARG 21 HE ARG 21 7.589 9.566 9.943
165 HH11 ARG 21 HH11 ARG 21 10.645 11.395 9.406
166 HH12 ARG 21 HH12 ARG 21 11.598 10.045 9.930
167 HH21 ARG 21 HH21 ARG 21 8.901 7.870 10.482
168 HH22 ARG 21 HH22 ARG 21 10.615 8.059 10.665
169 H SER 22 H SER 22 9.352 10.771 3.316
170 HA SER 22 HA SER 22 11.017 13.105 3.682
171 HB2 SER 22 HB2 SER 22 11.769 10.880 2.825
172 HB3 SER 22 HB3 SER 22 10.737 11.088 1.402
173 HG SER 22 HG SER 22 12.697 11.668 0.807
174 H SER 23 H SER 23 8.777 12.080 1.013
175 HA SER 23 HA SER 23 8.305 14.961 0.380
176 HB2 SER 23 HB2 SER 23 8.282 12.520 -1.420
177 HB3 SER 23 HB3 SER 23 8.043 14.196 -1.926
178 HG SER 23 HG SER 23 10.144 14.672 -1.329
179 H GLY 24 H GLY 24 6.667 12.089 1.515
180 HA2 GLY 24 HA2 GLY 24 4.464 11.966 2.097
181 HA3 GLY 24 HA3 GLY 24 4.135 13.503 1.303
182 H ARG 25 H ARG 25 5.351 10.222 0.294
183 HA ARG 25 HA ARG 25 3.302 10.272 -1.859
184 HB2 ARG 25 HB2 ARG 25 5.979 10.439 -2.275
185 HB3 ARG 25 HB3 ARG 25 5.855 8.694 -2.090
186 HG2 ARG 25 HG2 ARG 25 5.606 9.119 -4.401
187 HG3 ARG 25 HG3 ARG 25 3.969 8.772 -3.809
188 HD2 ARG 25 HD2 ARG 25 3.899 10.648 -5.340
189 HD3 ARG 25 HD3 ARG 25 3.520 11.242 -3.722
190 HE ARG 25 HE ARG 25 6.299 11.539 -4.138
191 HH11 ARG 25 HH11 ARG 25 3.292 12.692 -5.591
192 HH12 ARG 25 HH12 ARG 25 3.998 14.109 -6.312
193 HH21 ARG 25 HH21 ARG 25 7.189 13.559 -4.839
194 HH22 ARG 25 HH22 ARG 25 6.226 14.679 -5.735
195 H VAL 26 H VAL 26 1.915 8.581 -1.755
196 HA VAL 26 HA VAL 26 2.246 6.685 0.474
197 HB VAL 26 HB VAL 26 -0.036 6.659 -1.520
198 HG11 VAL 26 HG11 VAL 26 0.094 4.767 0.068
199 HG12 VAL 26 HG12 VAL 26 0.265 5.883 1.436
200 HG13 VAL 26 HG13 VAL 26 -1.249 5.839 0.503
201 HG21 VAL 26 HG21 VAL 26 0.089 8.978 -0.771
202 HG22 VAL 26 HG22 VAL 26 -1.258 8.159 0.042
203 HG23 VAL 26 HG23 VAL 26 0.253 8.454 0.924
204 H TYR 27 H TYR 27 2.430 4.355 0.180
205 HA TYR 27 HA TYR 27 2.628 3.258 -2.486
206 HB2 TYR 27 HB2 TYR 27 4.967 2.743 -2.478
207 HB3 TYR 27 HB3 TYR 27 4.841 4.466 -2.227
208 HD1 TYR 27 HD2 TYR 27 4.937 5.319 0.291
209 HD2 TYR 27 HD1 TYR 27 6.321 1.498 -1.093
210 HE1 TYR 27 HE2 TYR 27 6.279 5.091 2.343
211 HE2 TYR 27 HE1 TYR 27 7.725 1.263 0.945
212 HH TYR 27 HH TYR 27 7.615 3.693 3.605
213 H TYR 28 H TYR 28 3.648 0.890 -2.108
214 HA TYR 28 HA TYR 28 2.546 -0.175 0.454
215 HB2 TYR 28 HB2 TYR 28 2.702 -1.489 -2.259
216 HB3 TYR 28 HB3 TYR 28 1.980 -2.152 -0.798
217 HD1 TYR 28 HD1 TYR 28 0.147 -0.413 0.299
218 HD2 TYR 28 HD2 TYR 28 1.195 -0.653 -3.851
219 HE1 TYR 28 HE1 TYR 28 -2.026 0.606 -0.287
220 HE2 TYR 28 HE2 TYR 28 -0.992 0.335 -4.462
221 HH TYR 28 HH TYR 28 -3.492 1.318 -2.073
222 H PHE 29 H PHE 29 3.850 -1.711 1.519
223 HA PHE 29 HA PHE 29 6.573 -2.225 0.388
224 HB2 PHE 29 HB2 PHE 29 6.596 -0.348 2.041
225 HB3 PHE 29 HB3 PHE 29 5.955 -1.439 3.257
226 HD1 PHE 29 HD2 PHE 29 7.367 -3.393 4.053
227 HD2 PHE 29 HD1 PHE 29 8.928 -0.451 1.305
228 HE1 PHE 29 HE2 PHE 29 9.667 -4.207 4.461
229 HE2 PHE 29 HE1 PHE 29 11.207 -1.253 1.736
230 HZ PHE 29 HZ PHE 29 11.593 -3.098 3.337
231 H ASN 30 H ASN 30 7.114 -4.283 0.466
232 HA ASN 30 HA ASN 30 5.420 -6.208 2.002
233 HB2 ASN 30 HB2 ASN 30 5.911 -6.471 -0.490
234 HB3 ASN 30 HB3 ASN 30 7.533 -6.925 -0.054
235 HD21 ASN 30 HD21 ASN 30 5.872 -8.794 -1.388
236 HD22 ASN 30 HD22 ASN 30 5.397 -10.029 -0.245
237 H HIS 31 H HIS 31 6.282 -6.465 4.128
238 HA HIS 31 HA HIS 31 9.127 -6.331 4.584
239 HB2 HIS 31 HB2 HIS 31 8.663 -6.987 6.815
240 HB3 HIS 31 HB3 HIS 31 7.399 -5.877 6.318
241 HD1 HIS 31 HD1 HIS 31 7.932 -9.650 7.067
242 HD2 HIS 31 HD2 HIS 31 4.920 -6.784 6.412
243 HE1 HIS 31 HE1 HIS 31 5.734 -10.821 7.519
244 H ILE 32 H ILE 32 7.199 -8.878 3.311
245 HA ILE 32 HA ILE 32 8.589 -11.141 4.411
246 HB ILE 32 HB ILE 32 7.043 -10.788 1.803
247 HG12 ILE 32 HG12 ILE 32 6.326 -12.091 4.469
248 HG13 ILE 32 HG13 ILE 32 5.740 -10.529 3.919
249 HG21 ILE 32 HG21 ILE 32 8.544 -12.605 1.411
250 HG22 ILE 32 HG22 ILE 32 8.118 -13.333 2.984
251 HG23 ILE 32 HG23 ILE 32 6.945 -13.238 1.664
252 HD11 ILE 32 HD11 ILE 32 4.642 -11.693 1.947
253 HD12 ILE 32 HD12 ILE 32 5.043 -13.245 2.721
254 HD13 ILE 32 HD13 ILE 32 3.978 -12.117 3.540
255 H THR 33 H THR 33 9.152 -9.064 1.578
256 HA THR 33 HA THR 33 11.820 -10.393 1.266
257 HB THR 33 HB THR 33 10.286 -11.291 -0.323
258 HG1 THR 33 HG1 THR 33 12.244 -11.159 -1.125
259 HG21 THR 33 HG21 THR 33 8.586 -9.607 -0.551
260 HG22 THR 33 HG22 THR 33 9.301 -9.894 -2.140
261 HG23 THR 33 HG23 THR 33 9.760 -8.458 -1.200
262 H ASN 34 H ASN 34 10.449 -7.638 2.325
263 HA ASN 34 HA ASN 34 11.167 -5.538 2.608
264 HB2 ASN 34 HB2 ASN 34 13.350 -6.860 3.114
265 HB3 ASN 34 HB3 ASN 34 13.908 -6.309 1.536
266 HD21 ASN 34 HD21 ASN 34 12.852 -5.231 4.773
267 HD22 ASN 34 HD22 ASN 34 13.814 -3.777 4.761
268 H ALA 35 H ALA 35 9.775 -6.158 0.330
269 HA ALA 35 HA ALA 35 10.973 -4.612 -1.927
270 HB1 ALA 35 HB1 ALA 35 8.548 -6.472 -1.934
271 HB2 ALA 35 HB2 ALA 35 9.194 -5.591 -3.322
272 HB3 ALA 35 HB3 ALA 35 10.170 -6.833 -2.567
273 H SER 36 H SER 36 9.120 -3.404 -3.126
274 HA SER 36 HA SER 36 6.988 -2.345 -1.612
275 HB2 SER 36 HB2 SER 36 7.752 -0.149 -1.268
276 HB3 SER 36 HB3 SER 36 9.088 -1.191 -0.824
277 HG SER 36 HG SER 36 8.875 0.386 -3.132
278 H GLN 37 H GLN 37 5.546 -1.057 -2.961
279 HA GLN 37 HA GLN 37 6.354 -0.582 -5.643
280 HB2 GLN 37 HB2 GLN 37 4.897 -3.063 -4.990
281 HB3 GLN 37 HB3 GLN 37 3.931 -2.066 -6.072
282 HG2 GLN 37 HG2 GLN 37 6.723 -3.130 -6.583
283 HG3 GLN 37 HG3 GLN 37 5.223 -3.685 -7.311
284 HE21 GLN 37 HE21 GLN 37 7.444 -2.869 -8.856
285 HE22 GLN 37 HE22 GLN 37 7.047 -1.368 -9.672
286 H TRP 38 H TRP 38 4.320 0.275 -6.847
287 HA TRP 38 HA TRP 38 2.799 2.080 -5.017
288 HB2 TRP 38 HB2 TRP 38 3.308 2.479 -7.972
289 HB3 TRP 38 HB3 TRP 38 2.700 3.651 -6.806
290 HD1 TRP 38 HD1 TRP 38 5.860 1.905 -7.952
291 HE1 TRP 38 HE1 TRP 38 7.932 3.165 -7.157
292 HE3 TRP 38 HE3 TRP 38 3.592 5.183 -4.772
293 HZ2 TRP 38 HZ2 TRP 38 8.536 5.332 -5.280
294 HZ3 TRP 38 HZ3 TRP 38 4.930 6.731 -3.395
295 HH2 TRP 38 HH2 TRP 38 7.390 6.855 -3.631
296 H GLU 39 H GLU 39 2.543 -0.390 -7.510
297 HA GLU 39 HA GLU 39 -0.320 -0.028 -7.976
298 HB2 GLU 39 HB2 GLU 39 -0.031 -2.027 -9.383
299 HB3 GLU 39 HB3 GLU 39 1.146 -0.767 -9.772
300 HG2 GLU 39 HG2 GLU 39 2.873 -1.995 -8.435
301 HG3 GLU 39 HG3 GLU 39 1.692 -3.269 -8.119
302 H ARG 40 H ARG 40 -1.920 -1.696 -7.271
303 HA ARG 40 HA ARG 40 -1.450 -2.546 -4.606
304 HB2 ARG 40 HB2 ARG 40 -3.595 -3.322 -6.580
305 HB3 ARG 40 HB3 ARG 40 -3.556 -3.920 -4.925
306 HG2 ARG 40 HG2 ARG 40 -4.040 -1.853 -3.972
307 HG3 ARG 40 HG3 ARG 40 -3.383 -0.957 -5.301
308 HD2 ARG 40 HD2 ARG 40 -5.820 -0.753 -5.378
309 HD3 ARG 40 HD3 ARG 40 -5.338 -1.762 -6.738
310 HE ARG 40 HE ARG 40 -5.824 -3.409 -4.452
311 HH11 ARG 40 HH11 ARG 40 -7.613 -1.801 -7.073
312 HH12 ARG 40 HH12 ARG 40 -9.073 -2.673 -6.770
313 HH21 ARG 40 HH21 ARG 40 -7.591 -4.702 -4.234
314 HH22 ARG 40 HH22 ARG 40 -8.960 -4.560 -5.311
315 HA PRO 41 HA PRO 41 0.704 -6.342 -5.793
316 HB2 PRO 41 HB2 PRO 41 1.144 -7.333 -3.258
317 HB3 PRO 41 HB3 PRO 41 2.060 -5.949 -3.964
318 HG2 PRO 41 HG2 PRO 41 -0.251 -5.940 -2.059
319 HG3 PRO 41 HG3 PRO 41 1.175 -4.873 -2.033
320 HD2 PRO 41 HD2 PRO 41 -1.330 -4.172 -3.041
321 HD3 PRO 41 HD3 PRO 41 0.196 -3.423 -3.523
322 H SER 42 H SER 42 0.610 -8.770 -4.850
323 HA SER 42 HA SER 42 -2.017 -9.681 -4.110
324 HB2 SER 42 HB2 SER 42 -1.830 -11.409 -5.986
325 HB3 SER 42 HB3 SER 42 -2.352 -9.789 -6.451
326 HG SER 42 HG SER 42 -0.514 -11.094 -7.564
327 H GLY 43 H GLY 43 -1.792 -11.164 -2.800
328 HA2 GLY 43 HA2 GLY 43 0.819 -12.544 -2.217
329 HA3 GLY 43 HA3 GLY 43 -0.394 -12.141 -0.976
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -16.003 4.455 -7.497
2 HA2 GLY 1 HA2 GLY 1 -15.920 6.864 -7.161
3 HA3 GLY 1 HA3 GLY 1 -17.608 6.303 -7.148
4 H LEU 2 H LEU 2 -18.517 7.773 -5.580
5 HA LEU 2 HA LEU 2 -17.036 8.394 -3.123
6 HB2 LEU 2 HB2 LEU 2 -19.923 8.974 -3.890
7 HB3 LEU 2 HB3 LEU 2 -19.180 9.374 -2.358
8 HG LEU 2 HG LEU 2 -17.409 10.686 -3.753
9 HD11 LEU 2 HD11 LEU 2 -19.715 10.585 -5.750
10 HD12 LEU 2 HD12 LEU 2 -18.071 9.954 -6.012
11 HD13 LEU 2 HD13 LEU 2 -18.318 11.685 -5.831
12 HD21 LEU 2 HD21 LEU 2 -18.968 12.677 -3.737
13 HD22 LEU 2 HD22 LEU 2 -18.931 11.749 -2.232
14 HD23 LEU 2 HD23 LEU 2 -20.291 11.564 -3.353
15 H GLU 3 H GLU 3 -16.608 6.435 -2.167
16 HA GLU 3 HA GLU 3 -18.887 4.911 -1.037
17 HB2 GLU 3 HB2 GLU 3 -16.472 3.945 -2.629
18 HB3 GLU 3 HB3 GLU 3 -17.235 2.883 -1.441
19 HG2 GLU 3 HG2 GLU 3 -19.247 2.755 -2.581
20 HG3 GLU 3 HG3 GLU 3 -19.002 4.247 -3.469
21 H HIS 4 H HIS 4 -17.984 3.502 0.801
22 HA HIS 4 HA HIS 4 -15.841 4.980 2.287
23 HB2 HIS 4 HB2 HIS 4 -18.477 3.896 3.308
24 HB3 HIS 4 HB3 HIS 4 -17.117 4.330 4.351
25 HD1 HIS 4 HD1 HIS 4 -16.174 7.010 3.737
26 HD2 HIS 4 HD2 HIS 4 -20.159 5.870 2.938
27 HE1 HIS 4 HE1 HIS 4 -17.510 9.166 3.466
28 H MET 5 H MET 5 -17.466 1.895 3.195
29 HA MET 5 HA MET 5 -14.855 0.677 3.496
30 HB2 MET 5 HB2 MET 5 -17.621 -0.614 3.476
31 HB3 MET 5 HB3 MET 5 -16.111 -1.405 3.915
32 HG2 MET 5 HG2 MET 5 -15.802 0.394 5.697
33 HG3 MET 5 HG3 MET 5 -17.457 0.893 5.357
34 HE1 MET 5 HE1 MET 5 -18.272 -0.708 8.662
35 HE2 MET 5 HE2 MET 5 -17.316 0.639 8.022
36 HE3 MET 5 HE3 MET 5 -18.956 0.351 7.409
37 H ALA 6 H ALA 6 -13.656 -0.347 1.957
38 HA ALA 6 HA ALA 6 -14.875 -1.569 -0.399
39 HB1 ALA 6 HB1 ALA 6 -13.421 -0.369 -1.933
40 HB2 ALA 6 HB2 ALA 6 -14.340 0.826 -1.030
41 HB3 ALA 6 HB3 ALA 6 -12.642 0.522 -0.596
42 H ASP 7 H ASP 7 -13.387 -3.256 -1.187
43 HA ASP 7 HA ASP 7 -11.492 -4.150 0.920
44 HB2 ASP 7 HB2 ASP 7 -12.725 -5.455 -1.524
45 HB3 ASP 7 HB3 ASP 7 -11.386 -6.190 -0.653
46 H GLU 8 H GLU 8 -11.548 -2.976 -2.341
47 HA GLU 8 HA GLU 8 -8.997 -3.721 -3.235
48 HB2 GLU 8 HB2 GLU 8 -9.474 -1.924 -4.910
49 HB3 GLU 8 HB3 GLU 8 -10.818 -3.011 -4.656
50 HG2 GLU 8 HG2 GLU 8 -12.011 -1.076 -4.588
51 HG3 GLU 8 HG3 GLU 8 -11.574 -1.091 -2.896
52 H GLU 9 H GLU 9 -9.865 -1.554 -0.858
53 HA GLU 9 HA GLU 9 -7.674 0.344 -0.974
54 HB2 GLU 9 HB2 GLU 9 -10.153 0.609 -0.306
55 HB3 GLU 9 HB3 GLU 9 -9.758 -0.214 1.186
56 HG2 GLU 9 HG2 GLU 9 -8.470 2.371 0.194
57 HG3 GLU 9 HG3 GLU 9 -9.872 2.300 1.260
58 H LYS 10 H LYS 10 -8.354 -2.778 0.527
59 HA LYS 10 HA LYS 10 -6.259 -2.522 2.556
60 HB2 LYS 10 HB2 LYS 10 -8.298 -4.724 1.952
61 HB3 LYS 10 HB3 LYS 10 -7.054 -4.806 3.196
62 HG2 LYS 10 HG2 LYS 10 -8.884 -4.086 4.409
63 HG3 LYS 10 HG3 LYS 10 -7.988 -2.606 4.111
64 HD2 LYS 10 HD2 LYS 10 -9.691 -2.426 2.024
65 HD3 LYS 10 HD3 LYS 10 -10.663 -3.475 3.003
66 HE2 LYS 10 HE2 LYS 10 -9.379 -1.013 4.208
67 HE3 LYS 10 HE3 LYS 10 -10.788 -0.823 3.154
68 HZ1 LYS 10 HZ1 LYS 10 -10.838 -2.619 5.500
69 HZ2 LYS 10 HZ2 LYS 10 -12.089 -2.187 4.566
70 HZ3 LYS 10 HZ3 LYS 10 -11.393 -1.061 5.537
71 H LEU 11 H LEU 11 -4.271 -2.939 2.051
72 HA LEU 11 HA LEU 11 -3.486 -4.223 -0.346
73 HB2 LEU 11 HB2 LEU 11 -2.061 -3.404 2.191
74 HB3 LEU 11 HB3 LEU 11 -1.184 -4.328 0.995
75 HG LEU 11 HG LEU 11 -0.909 -1.864 0.796
76 HD11 LEU 11 HD11 LEU 11 -1.230 -1.811 -1.729
77 HD12 LEU 11 HD12 LEU 11 -2.104 -3.310 -1.632
78 HD13 LEU 11 HD13 LEU 11 -0.398 -3.250 -1.121
79 HD21 LEU 11 HD21 LEU 11 -3.250 -1.148 1.298
80 HD22 LEU 11 HD22 LEU 11 -3.773 -1.800 -0.276
81 HD23 LEU 11 HD23 LEU 11 -2.662 -0.470 -0.209
82 HA PRO 12 HA PRO 12 -3.675 -8.518 0.378
83 HB2 PRO 12 HB2 PRO 12 -1.359 -9.445 -0.914
84 HB3 PRO 12 HB3 PRO 12 -2.903 -9.041 -1.700
85 HG2 PRO 12 HG2 PRO 12 -0.377 -7.453 -1.485
86 HG3 PRO 12 HG3 PRO 12 -1.548 -7.484 -2.826
87 HD2 PRO 12 HD2 PRO 12 -1.359 -5.483 -0.938
88 HD3 PRO 12 HD3 PRO 12 -2.846 -5.853 -1.833
89 HA PRO 13 HA PRO 13 -1.262 -9.896 3.771
90 HB2 PRO 13 HB2 PRO 13 -0.666 -12.553 3.235
91 HB3 PRO 13 HB3 PRO 13 -2.251 -11.949 3.803
92 HG2 PRO 13 HG2 PRO 13 -1.411 -12.567 0.969
93 HG3 PRO 13 HG3 PRO 13 -2.941 -12.984 1.807
94 HD2 PRO 13 HD2 PRO 13 -2.780 -10.878 0.144
95 HD3 PRO 13 HD3 PRO 13 -3.743 -10.764 1.638
96 H GLY 14 H GLY 14 0.666 -9.277 4.180
97 HA2 GLY 14 HA2 GLY 14 3.051 -9.519 4.219
98 HA3 GLY 14 HA3 GLY 14 3.031 -9.932 2.512
99 H TRP 15 H TRP 15 1.086 -7.744 1.780
100 HA TRP 15 HA TRP 15 3.090 -5.629 1.715
101 HB2 TRP 15 HB2 TRP 15 0.466 -6.045 0.286
102 HB3 TRP 15 HB3 TRP 15 1.435 -4.604 0.118
103 HD1 TRP 15 HD1 TRP 15 1.593 -8.347 -0.814
104 HE1 TRP 15 HE1 TRP 15 3.272 -8.618 -2.725
105 HE3 TRP 15 HE3 TRP 15 3.625 -3.690 -0.686
106 HZ2 TRP 15 HZ2 TRP 15 5.172 -6.889 -4.148
107 HZ3 TRP 15 HZ3 TRP 15 5.404 -3.034 -2.267
108 HH2 TRP 15 HH2 TRP 15 6.206 -4.648 -3.996
109 H GLU 16 H GLU 16 2.788 -3.591 2.465
110 HA GLU 16 HA GLU 16 0.406 -2.924 4.091
111 HB2 GLU 16 HB2 GLU 16 3.389 -2.771 4.731
112 HB3 GLU 16 HB3 GLU 16 2.155 -1.927 5.678
113 HG2 GLU 16 HG2 GLU 16 2.021 -4.921 5.245
114 HG3 GLU 16 HG3 GLU 16 3.046 -4.220 6.498
115 H LYS 17 H LYS 17 -0.240 -0.913 3.788
116 HA LYS 17 HA LYS 17 1.109 0.804 1.793
117 HB2 LYS 17 HB2 LYS 17 -1.247 0.681 1.747
118 HB3 LYS 17 HB3 LYS 17 -1.401 1.135 3.460
119 HG2 LYS 17 HG2 LYS 17 -0.483 3.389 2.963
120 HG3 LYS 17 HG3 LYS 17 -0.324 2.969 1.246
121 HD2 LYS 17 HD2 LYS 17 -2.677 2.832 0.975
122 HD3 LYS 17 HD3 LYS 17 -2.972 2.652 2.707
123 HE2 LYS 17 HE2 LYS 17 -2.278 4.972 3.129
124 HE3 LYS 17 HE3 LYS 17 -1.966 5.207 1.400
125 HZ1 LYS 17 HZ1 LYS 17 -4.569 4.497 2.554
126 HZ2 LYS 17 HZ2 LYS 17 -4.275 4.867 0.961
127 HZ3 LYS 17 HZ3 LYS 17 -4.127 6.024 2.158
128 H ARG 18 H ARG 18 2.736 2.163 2.214
129 HA ARG 18 HA ARG 18 2.979 3.387 4.911
130 HB2 ARG 18 HB2 ARG 18 5.018 2.334 2.927
131 HB3 ARG 18 HB3 ARG 18 5.453 3.187 4.389
132 HG2 ARG 18 HG2 ARG 18 3.944 0.530 4.307
133 HG3 ARG 18 HG3 ARG 18 5.654 0.746 4.553
134 HD2 ARG 18 HD2 ARG 18 5.144 2.111 6.625
135 HD3 ARG 18 HD3 ARG 18 3.427 1.780 6.373
136 HE ARG 18 HE ARG 18 5.570 -0.195 7.021
137 HH11 ARG 18 HH11 ARG 18 2.115 0.766 7.483
138 HH12 ARG 18 HH12 ARG 18 1.747 -0.717 8.276
139 HH21 ARG 18 HH21 ARG 18 4.863 -2.264 7.911
140 HH22 ARG 18 HH22 ARG 18 3.254 -2.357 8.529
141 H MET 19 H MET 19 4.775 5.227 4.535
142 HA MET 19 HA MET 19 4.227 6.834 2.195
143 HB2 MET 19 HB2 MET 19 2.484 7.616 3.783
144 HB3 MET 19 HB3 MET 19 3.727 7.882 5.020
145 HG2 MET 19 HG2 MET 19 4.855 9.509 3.517
146 HG3 MET 19 HG3 MET 19 3.605 9.259 2.300
147 HE1 MET 19 HE1 MET 19 0.923 9.274 3.843
148 HE2 MET 19 HE2 MET 19 0.516 10.994 3.814
149 HE3 MET 19 HE3 MET 19 1.231 10.250 2.378
150 H GLU 20 H GLU 20 6.083 7.999 1.671
151 HA GLU 20 HA GLU 20 8.468 7.322 3.149
152 HB2 GLU 20 HB2 GLU 20 7.831 8.665 0.543
153 HB3 GLU 20 HB3 GLU 20 9.372 9.081 1.294
154 HG2 GLU 20 HG2 GLU 20 8.521 6.207 0.881
155 HG3 GLU 20 HG3 GLU 20 9.433 7.120 -0.314
156 H ARG 21 H ARG 21 9.132 8.470 4.928
157 HA ARG 21 HA ARG 21 7.967 11.078 5.437
158 HB2 ARG 21 HB2 ARG 21 8.709 9.493 7.230
159 HB3 ARG 21 HB3 ARG 21 10.377 9.693 6.713
160 HG2 ARG 21 HG2 ARG 21 9.958 11.027 8.670
161 HG3 ARG 21 HG3 ARG 21 10.281 12.113 7.325
162 HD2 ARG 21 HD2 ARG 21 7.889 12.586 7.070
163 HD3 ARG 21 HD3 ARG 21 7.477 11.348 8.279
164 HE ARG 21 HE ARG 21 9.247 13.174 9.489
165 HH11 ARG 21 HH11 ARG 21 5.940 13.146 8.221
166 HH12 ARG 21 HH12 ARG 21 5.392 14.471 9.178
167 HH21 ARG 21 HH21 ARG 21 8.509 14.783 10.946
168 HH22 ARG 21 HH22 ARG 21 6.923 15.447 10.785
169 H SER 22 H SER 22 10.759 9.901 3.696
170 HA SER 22 HA SER 22 12.444 12.083 3.674
171 HB2 SER 22 HB2 SER 22 12.134 9.629 2.196
172 HB3 SER 22 HB3 SER 22 12.438 10.927 1.032
173 HG SER 22 HG SER 22 14.252 11.510 2.146
174 H SER 23 H SER 23 9.949 11.432 1.135
175 HA SER 23 HA SER 23 9.961 14.336 0.456
176 HB2 SER 23 HB2 SER 23 9.108 11.927 -1.151
177 HB3 SER 23 HB3 SER 23 9.251 13.594 -1.747
178 HG SER 23 HG SER 23 11.087 12.345 -2.258
179 H GLY 24 H GLY 24 7.860 11.669 1.530
180 HA2 GLY 24 HA2 GLY 24 5.811 11.940 2.581
181 HA3 GLY 24 HA3 GLY 24 5.649 13.543 1.885
182 H ARG 25 H ARG 25 6.070 10.085 0.628
183 HA ARG 25 HA ARG 25 3.741 10.665 -1.088
184 HB2 ARG 25 HB2 ARG 25 5.999 11.023 -2.235
185 HB3 ARG 25 HB3 ARG 25 6.289 9.311 -2.009
186 HG2 ARG 25 HG2 ARG 25 5.476 9.481 -4.205
187 HG3 ARG 25 HG3 ARG 25 4.135 8.808 -3.280
188 HD2 ARG 25 HD2 ARG 25 4.386 11.740 -3.911
189 HD3 ARG 25 HD3 ARG 25 3.639 10.593 -5.050
190 HE ARG 25 HE ARG 25 2.490 11.769 -2.702
191 HH11 ARG 25 HH11 ARG 25 2.136 8.715 -4.696
192 HH12 ARG 25 HH12 ARG 25 0.616 8.386 -3.988
193 HH21 ARG 25 HH21 ARG 25 0.491 11.338 -2.002
194 HH22 ARG 25 HH22 ARG 25 -0.371 9.902 -2.449
195 H VAL 26 H VAL 26 2.440 8.818 -1.419
196 HA VAL 26 HA VAL 26 2.835 6.744 0.630
197 HB VAL 26 HB VAL 26 0.574 7.322 -1.327
198 HG11 VAL 26 HG11 VAL 26 -0.792 5.843 0.049
199 HG12 VAL 26 HG12 VAL 26 0.533 4.934 -0.645
200 HG13 VAL 26 HG13 VAL 26 0.620 5.420 1.061
201 HG21 VAL 26 HG21 VAL 26 -0.558 8.011 0.867
202 HG22 VAL 26 HG22 VAL 26 1.049 7.986 1.606
203 HG23 VAL 26 HG23 VAL 26 0.693 9.112 0.276
204 H TYR 27 H TYR 27 2.908 4.527 0.145
205 HA TYR 27 HA TYR 27 3.106 3.513 -2.528
206 HB2 TYR 27 HB2 TYR 27 5.432 2.895 -2.521
207 HB3 TYR 27 HB3 TYR 27 5.367 4.621 -2.255
208 HD1 TYR 27 HD2 TYR 27 5.613 5.507 0.207
209 HD2 TYR 27 HD1 TYR 27 6.547 1.494 -1.034
210 HE1 TYR 27 HE2 TYR 27 6.875 5.120 2.325
211 HE2 TYR 27 HE1 TYR 27 7.726 1.112 1.097
212 HH TYR 27 HH TYR 27 8.259 3.672 3.500
213 H TYR 28 H TYR 28 3.938 1.077 -2.187
214 HA TYR 28 HA TYR 28 2.647 -0.011 0.267
215 HB2 TYR 28 HB2 TYR 28 2.964 -1.267 -2.487
216 HB3 TYR 28 HB3 TYR 28 2.115 -1.943 -1.121
217 HD1 TYR 28 HD1 TYR 28 0.388 -0.027 -0.028
218 HD2 TYR 28 HD2 TYR 28 1.538 -0.350 -4.171
219 HE1 TYR 28 HE1 TYR 28 -1.613 1.253 -0.647
220 HE2 TYR 28 HE2 TYR 28 -0.450 0.939 -4.819
221 HH TYR 28 HH TYR 28 -2.340 2.028 -4.105
222 H PHE 29 H PHE 29 3.767 -1.703 1.375
223 HA PHE 29 HA PHE 29 6.587 -2.206 0.546
224 HB2 PHE 29 HB2 PHE 29 6.393 -0.395 2.280
225 HB3 PHE 29 HB3 PHE 29 5.607 -1.553 3.346
226 HD1 PHE 29 HD2 PHE 29 6.904 -3.560 4.207
227 HD2 PHE 29 HD1 PHE 29 8.798 -0.491 1.828
228 HE1 PHE 29 HE2 PHE 29 9.132 -4.503 4.702
229 HE2 PHE 29 HE1 PHE 29 10.997 -1.442 2.335
230 HZ PHE 29 HZ PHE 29 11.176 -3.426 3.741
231 H ASN 30 H ASN 30 7.039 -4.327 0.567
232 HA ASN 30 HA ASN 30 5.064 -6.248 1.674
233 HB2 ASN 30 HB2 ASN 30 5.896 -6.422 -0.660
234 HB3 ASN 30 HB3 ASN 30 7.494 -6.787 -0.024
235 HD21 ASN 30 HD21 ASN 30 6.560 -8.737 -1.633
236 HD22 ASN 30 HD22 ASN 30 6.015 -10.096 -0.678
237 H HIS 31 H HIS 31 5.468 -6.783 3.876
238 HA HIS 31 HA HIS 31 8.156 -6.519 4.906
239 HB2 HIS 31 HB2 HIS 31 7.249 -7.095 6.998
240 HB3 HIS 31 HB3 HIS 31 6.074 -6.051 6.198
241 HD1 HIS 31 HD1 HIS 31 6.597 -9.732 7.229
242 HD2 HIS 31 HD2 HIS 31 3.630 -7.055 5.859
243 HE1 HIS 31 HE1 HIS 31 4.378 -10.916 7.442
244 H ILE 32 H ILE 32 6.603 -8.999 3.170
245 HA ILE 32 HA ILE 32 7.855 -11.259 4.518
246 HB ILE 32 HB ILE 32 6.563 -10.950 1.788
247 HG12 ILE 32 HG12 ILE 32 5.711 -12.432 4.322
248 HG13 ILE 32 HG13 ILE 32 5.145 -10.820 3.886
249 HG21 ILE 32 HG21 ILE 32 6.628 -13.424 1.582
250 HG22 ILE 32 HG22 ILE 32 8.208 -12.676 1.484
251 HG23 ILE 32 HG23 ILE 32 7.707 -13.486 2.992
252 HD11 ILE 32 HD11 ILE 32 4.157 -11.758 1.788
253 HD12 ILE 32 HD12 ILE 32 4.564 -13.387 2.373
254 HD13 ILE 32 HD13 ILE 32 3.437 -12.377 3.285
255 H THR 33 H THR 33 8.723 -9.257 1.660
256 HA THR 33 HA THR 33 11.443 -10.481 1.870
257 HB THR 33 HB THR 33 10.089 -11.352 -0.020
258 HG1 THR 33 HG1 THR 33 12.404 -9.935 -0.771
259 HG21 THR 33 HG21 THR 33 8.959 -9.276 -0.738
260 HG22 THR 33 HG22 THR 33 9.866 -10.039 -2.054
261 HG23 THR 33 HG23 THR 33 10.538 -8.619 -1.238
262 H ASN 34 H ASN 34 9.988 -7.801 2.768
263 HA ASN 34 HA ASN 34 10.698 -5.736 3.232
264 HB2 ASN 34 HB2 ASN 34 12.809 -7.152 3.791
265 HB3 ASN 34 HB3 ASN 34 13.486 -6.474 2.323
266 HD21 ASN 34 HD21 ASN 34 11.916 -5.534 5.408
267 HD22 ASN 34 HD22 ASN 34 12.787 -4.044 5.627
268 H ALA 35 H ALA 35 9.709 -6.409 0.560
269 HA ALA 35 HA ALA 35 11.122 -4.637 -1.327
270 HB1 ALA 35 HB1 ALA 35 8.824 -6.640 -1.645
271 HB2 ALA 35 HB2 ALA 35 9.317 -5.531 -2.920
272 HB3 ALA 35 HB3 ALA 35 10.466 -6.711 -2.297
273 H SER 36 H SER 36 9.446 -3.294 -2.715
274 HA SER 36 HA SER 36 7.215 -2.181 -1.386
275 HB2 SER 36 HB2 SER 36 8.169 -0.525 -0.265
276 HB3 SER 36 HB3 SER 36 9.774 -1.024 -0.780
277 HG SER 36 HG SER 36 9.332 1.158 -1.310
278 H GLN 37 H GLN 37 5.931 -0.952 -2.870
279 HA GLN 37 HA GLN 37 6.962 -0.347 -5.508
280 HB2 GLN 37 HB2 GLN 37 4.995 -2.620 -4.945
281 HB3 GLN 37 HB3 GLN 37 4.875 -1.717 -6.450
282 HG2 GLN 37 HG2 GLN 37 7.274 -3.367 -5.570
283 HG3 GLN 37 HG3 GLN 37 6.097 -3.763 -6.804
284 HE21 GLN 37 HE21 GLN 37 8.918 -1.847 -6.069
285 HE22 GLN 37 HE22 GLN 37 9.211 -1.229 -7.682
286 H TRP 38 H TRP 38 5.418 0.877 -6.731
287 HA TRP 38 HA TRP 38 3.591 2.472 -5.047
288 HB2 TRP 38 HB2 TRP 38 4.250 2.750 -8.001
289 HB3 TRP 38 HB3 TRP 38 3.594 3.968 -6.914
290 HD1 TRP 38 HD1 TRP 38 6.900 2.275 -7.907
291 HE1 TRP 38 HE1 TRP 38 8.861 3.563 -6.845
292 HE3 TRP 38 HE3 TRP 38 4.294 5.513 -4.875
293 HZ2 TRP 38 HZ2 TRP 38 9.234 6.002 -5.367
294 HZ3 TRP 38 HZ3 TRP 38 5.480 7.247 -3.672
295 HH2 TRP 38 HH2 TRP 38 7.926 7.609 -3.974
296 H GLU 39 H GLU 39 3.651 0.276 -7.779
297 HA GLU 39 HA GLU 39 0.902 0.475 -8.586
298 HB2 GLU 39 HB2 GLU 39 3.143 -1.562 -9.051
299 HB3 GLU 39 HB3 GLU 39 1.576 -1.635 -9.842
300 HG2 GLU 39 HG2 GLU 39 3.693 0.537 -10.108
301 HG3 GLU 39 HG3 GLU 39 3.218 -0.632 -11.340
302 H ARG 40 H ARG 40 -0.803 -0.571 -7.804
303 HA ARG 40 HA ARG 40 -0.964 -1.793 -5.347
304 HB2 ARG 40 HB2 ARG 40 -2.712 -1.827 -7.788
305 HB3 ARG 40 HB3 ARG 40 -3.117 -2.878 -6.432
306 HG2 ARG 40 HG2 ARG 40 -3.404 -1.083 -4.915
307 HG3 ARG 40 HG3 ARG 40 -2.598 0.076 -5.980
308 HD2 ARG 40 HD2 ARG 40 -5.095 0.334 -5.903
309 HD3 ARG 40 HD3 ARG 40 -4.415 0.097 -7.522
310 HE ARG 40 HE ARG 40 -5.417 -2.295 -6.079
311 HH11 ARG 40 HH11 ARG 40 -6.088 0.073 -8.668
312 HH12 ARG 40 HH12 ARG 40 -6.936 -1.077 -9.631
313 HH21 ARG 40 HH21 ARG 40 -6.569 -3.718 -7.298
314 HH22 ARG 40 HH22 ARG 40 -7.353 -3.218 -8.787
315 HA PRO 41 HA PRO 41 0.906 -5.780 -6.447
316 HB2 PRO 41 HB2 PRO 41 1.317 -6.722 -3.932
317 HB3 PRO 41 HB3 PRO 41 2.268 -5.371 -4.605
318 HG2 PRO 41 HG2 PRO 41 -0.155 -5.246 -2.793
319 HG3 PRO 41 HG3 PRO 41 1.382 -4.356 -2.603
320 HD2 PRO 41 HD2 PRO 41 -0.861 -3.283 -3.762
321 HD3 PRO 41 HD3 PRO 41 0.803 -2.815 -4.236
322 H SER 42 H SER 42 0.503 -8.113 -5.646
323 HA SER 42 HA SER 42 -2.165 -8.728 -4.753
324 HB2 SER 42 HB2 SER 42 -0.898 -9.680 -7.379
325 HB3 SER 42 HB3 SER 42 -2.318 -10.410 -6.626
326 HG SER 42 HG SER 42 -2.029 -7.793 -7.706
327 H GLY 43 H GLY 43 -1.934 -10.249 -3.355
328 HA2 GLY 43 HA2 GLY 43 0.669 -11.560 -2.773
329 HA3 GLY 43 HA3 GLY 43 -0.784 -11.580 -1.740
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -26.765 10.934 -3.559
2 HA2 GLY 1 HA2 GLY 1 -25.516 10.941 -1.442
3 HA3 GLY 1 HA3 GLY 1 -26.755 9.667 -1.454
4 H LEU 2 H LEU 2 -23.379 10.187 -2.598
5 HA LEU 2 HA LEU 2 -22.713 7.364 -2.278
6 HB2 LEU 2 HB2 LEU 2 -21.018 9.809 -2.960
7 HB3 LEU 2 HB3 LEU 2 -20.489 8.132 -3.109
8 HG LEU 2 HG LEU 2 -22.789 9.353 -4.695
9 HD11 LEU 2 HD11 LEU 2 -21.222 9.299 -6.608
10 HD12 LEU 2 HD12 LEU 2 -19.922 8.799 -5.519
11 HD13 LEU 2 HD13 LEU 2 -20.676 10.392 -5.319
12 HD21 LEU 2 HD21 LEU 2 -21.359 6.687 -5.050
13 HD22 LEU 2 HD22 LEU 2 -22.637 7.344 -6.091
14 HD23 LEU 2 HD23 LEU 2 -22.998 6.913 -4.417
15 H GLU 3 H GLU 3 -20.470 6.995 -1.192
16 HA GLU 3 HA GLU 3 -19.966 8.484 1.257
17 HB2 GLU 3 HB2 GLU 3 -20.421 6.657 2.718
18 HB3 GLU 3 HB3 GLU 3 -21.855 6.874 1.719
19 HG2 GLU 3 HG2 GLU 3 -20.713 5.016 0.193
20 HG3 GLU 3 HG3 GLU 3 -19.840 4.631 1.679
21 H HIS 4 H HIS 4 -18.143 6.895 2.410
22 HA HIS 4 HA HIS 4 -16.190 6.258 0.255
23 HB2 HIS 4 HB2 HIS 4 -15.837 8.244 1.851
24 HB3 HIS 4 HB3 HIS 4 -15.571 7.055 3.120
25 HD1 HIS 4 HD1 HIS 4 -14.093 8.100 -0.339
26 HD2 HIS 4 HD2 HIS 4 -13.111 6.141 3.283
27 HE1 HIS 4 HE1 HIS 4 -11.581 7.693 -0.375
28 H MET 5 H MET 5 -16.747 4.094 -0.060
29 HA MET 5 HA MET 5 -16.276 2.235 2.184
30 HB2 MET 5 HB2 MET 5 -18.738 2.592 2.044
31 HB3 MET 5 HB3 MET 5 -18.702 2.158 0.335
32 HG2 MET 5 HG2 MET 5 -19.432 0.247 1.539
33 HG3 MET 5 HG3 MET 5 -17.799 -0.110 1.001
34 HE1 MET 5 HE1 MET 5 -19.540 -1.682 3.201
35 HE2 MET 5 HE2 MET 5 -17.922 -2.195 2.676
36 HE3 MET 5 HE3 MET 5 -18.286 -2.049 4.409
37 H ALA 6 H ALA 6 -14.276 1.922 1.200
38 HA ALA 6 HA ALA 6 -14.285 0.308 -1.290
39 HB1 ALA 6 HB1 ALA 6 -12.363 2.583 -0.603
40 HB2 ALA 6 HB2 ALA 6 -12.112 1.395 -1.897
41 HB3 ALA 6 HB3 ALA 6 -13.489 2.521 -1.974
42 H ASP 7 H ASP 7 -13.567 -1.667 -0.630
43 HA ASP 7 HA ASP 7 -11.919 -1.806 1.863
44 HB2 ASP 7 HB2 ASP 7 -14.196 -2.923 1.808
45 HB3 ASP 7 HB3 ASP 7 -13.486 -4.077 0.667
46 H GLU 8 H GLU 8 -11.805 -2.233 -1.558
47 HA GLU 8 HA GLU 8 -9.816 -4.241 -1.659
48 HB2 GLU 8 HB2 GLU 8 -9.532 -3.574 -3.947
49 HB3 GLU 8 HB3 GLU 8 -11.230 -3.511 -3.525
50 HG2 GLU 8 HG2 GLU 8 -10.837 -0.958 -3.116
51 HG3 GLU 8 HG3 GLU 8 -9.301 -1.197 -3.961
52 H GLU 9 H GLU 9 -9.626 -1.232 -0.354
53 HA GLU 9 HA GLU 9 -6.925 -0.367 -0.851
54 HB2 GLU 9 HB2 GLU 9 -8.957 0.997 -0.157
55 HB3 GLU 9 HB3 GLU 9 -8.878 0.222 1.419
56 HG2 GLU 9 HG2 GLU 9 -7.923 2.399 1.570
57 HG3 GLU 9 HG3 GLU 9 -6.616 1.256 1.769
58 H LYS 10 H LYS 10 -8.131 -3.078 0.753
59 HA LYS 10 HA LYS 10 -6.160 -3.214 2.960
60 HB2 LYS 10 HB2 LYS 10 -8.348 -5.108 1.974
61 HB3 LYS 10 HB3 LYS 10 -7.275 -5.432 3.318
62 HG2 LYS 10 HG2 LYS 10 -9.436 -3.293 3.188
63 HG3 LYS 10 HG3 LYS 10 -9.376 -4.734 4.192
64 HD2 LYS 10 HD2 LYS 10 -8.827 -3.091 5.693
65 HD3 LYS 10 HD3 LYS 10 -7.210 -3.637 5.215
66 HE2 LYS 10 HE2 LYS 10 -7.080 -1.709 3.610
67 HE3 LYS 10 HE3 LYS 10 -8.730 -1.254 4.027
68 HZ1 LYS 10 HZ1 LYS 10 -6.481 -1.316 5.937
69 HZ2 LYS 10 HZ2 LYS 10 -8.000 -0.767 6.243
70 HZ3 LYS 10 HZ3 LYS 10 -6.997 0.025 5.164
71 H LEU 11 H LEU 11 -4.197 -3.248 1.981
72 HA LEU 11 HA LEU 11 -3.489 -4.538 -0.334
73 HB2 LEU 11 HB2 LEU 11 -2.058 -3.653 2.184
74 HB3 LEU 11 HB3 LEU 11 -1.137 -4.592 1.057
75 HG LEU 11 HG LEU 11 -0.873 -2.164 0.736
76 HD11 LEU 11 HD11 LEU 11 -1.271 -2.097 -1.760
77 HD12 LEU 11 HD12 LEU 11 -2.186 -3.569 -1.649
78 HD13 LEU 11 HD13 LEU 11 -0.465 -3.559 -1.198
79 HD21 LEU 11 HD21 LEU 11 -2.680 -0.766 -0.171
80 HD22 LEU 11 HD22 LEU 11 -3.175 -1.453 1.369
81 HD23 LEU 11 HD23 LEU 11 -3.789 -2.107 -0.177
82 HA PRO 12 HA PRO 12 -3.463 -8.807 0.404
83 HB2 PRO 12 HB2 PRO 12 -1.113 -9.652 -0.870
84 HB3 PRO 12 HB3 PRO 12 -2.653 -9.289 -1.721
85 HG2 PRO 12 HG2 PRO 12 -0.196 -7.608 -1.398
86 HG3 PRO 12 HG3 PRO 12 -1.300 -7.723 -2.802
87 HD2 PRO 12 HD2 PRO 12 -1.296 -5.691 -0.979
88 HD3 PRO 12 HD3 PRO 12 -2.754 -6.187 -1.883
89 HA PRO 13 HA PRO 13 -0.884 -9.957 3.725
90 HB2 PRO 13 HB2 PRO 13 -0.251 -12.603 3.359
91 HB3 PRO 13 HB3 PRO 13 -1.869 -12.017 3.879
92 HG2 PRO 13 HG2 PRO 13 -0.945 -12.733 1.079
93 HG3 PRO 13 HG3 PRO 13 -2.472 -13.232 1.914
94 HD2 PRO 13 HD2 PRO 13 -2.365 -11.160 0.163
95 HD3 PRO 13 HD3 PRO 13 -3.373 -11.057 1.620
96 H GLY 14 H GLY 14 1.082 -9.504 4.161
97 HA2 GLY 14 HA2 GLY 14 3.442 -9.740 4.114
98 HA3 GLY 14 HA3 GLY 14 3.388 -10.087 2.379
99 H TRP 15 H TRP 15 1.381 -7.817 1.924
100 HA TRP 15 HA TRP 15 3.422 -5.702 1.828
101 HB2 TRP 15 HB2 TRP 15 0.727 -6.052 0.492
102 HB3 TRP 15 HB3 TRP 15 1.760 -4.648 0.296
103 HD1 TRP 15 HD1 TRP 15 1.726 -8.418 -0.583
104 HE1 TRP 15 HE1 TRP 15 3.133 -8.763 -2.631
105 HE3 TRP 15 HE3 TRP 15 3.889 -3.812 -0.740
106 HZ2 TRP 15 HZ2 TRP 15 5.121 -7.189 -4.177
107 HZ3 TRP 15 HZ3 TRP 15 5.512 -3.238 -2.527
108 HH2 TRP 15 HH2 TRP 15 6.151 -4.938 -4.232
109 H GLU 16 H GLU 16 2.936 -3.589 2.382
110 HA GLU 16 HA GLU 16 0.680 -2.956 4.189
111 HB2 GLU 16 HB2 GLU 16 3.678 -2.936 4.704
112 HB3 GLU 16 HB3 GLU 16 2.680 -1.704 5.471
113 HG2 GLU 16 HG2 GLU 16 1.898 -4.621 5.714
114 HG3 GLU 16 HG3 GLU 16 3.180 -3.950 6.719
115 H LYS 17 H LYS 17 -0.128 -0.974 3.615
116 HA LYS 17 HA LYS 17 1.274 0.616 1.546
117 HB2 LYS 17 HB2 LYS 17 -1.126 0.183 1.368
118 HB3 LYS 17 HB3 LYS 17 -1.408 0.867 2.968
119 HG2 LYS 17 HG2 LYS 17 -0.618 3.107 2.128
120 HG3 LYS 17 HG3 LYS 17 -0.402 2.397 0.523
121 HD2 LYS 17 HD2 LYS 17 -2.863 1.737 0.561
122 HD3 LYS 17 HD3 LYS 17 -3.019 2.574 2.118
123 HE2 LYS 17 HE2 LYS 17 -2.354 4.686 1.110
124 HE3 LYS 17 HE3 LYS 17 -1.997 3.877 -0.428
125 HZ1 LYS 17 HZ1 LYS 17 -4.438 3.247 -0.444
126 HZ2 LYS 17 HZ2 LYS 17 -4.123 4.852 -0.617
127 HZ3 LYS 17 HZ3 LYS 17 -4.643 4.252 0.810
128 H ARG 18 H ARG 18 2.731 2.165 2.131
129 HA ARG 18 HA ARG 18 2.222 3.649 4.660
130 HB2 ARG 18 HB2 ARG 18 4.980 2.869 3.728
131 HB3 ARG 18 HB3 ARG 18 4.515 3.582 5.251
132 HG2 ARG 18 HG2 ARG 18 3.123 1.226 5.427
133 HG3 ARG 18 HG3 ARG 18 4.426 0.715 4.374
134 HD2 ARG 18 HD2 ARG 18 6.073 1.560 6.094
135 HD3 ARG 18 HD3 ARG 18 4.702 1.965 7.145
136 HE ARG 18 HE ARG 18 5.290 -0.803 6.141
137 HH11 ARG 18 HH11 ARG 18 4.653 1.187 9.005
138 HH12 ARG 18 HH12 ARG 18 4.220 -0.180 9.984
139 HH21 ARG 18 HH21 ARG 18 4.805 -2.509 7.395
140 HH22 ARG 18 HH22 ARG 18 4.099 -2.344 8.979
141 H MET 19 H MET 19 4.144 5.508 4.590
142 HA MET 19 HA MET 19 4.039 6.837 1.980
143 HB2 MET 19 HB2 MET 19 2.196 7.632 3.499
144 HB3 MET 19 HB3 MET 19 3.415 8.063 4.708
145 HG2 MET 19 HG2 MET 19 4.398 9.671 3.156
146 HG3 MET 19 HG3 MET 19 3.228 9.208 1.899
147 HE1 MET 19 HE1 MET 19 0.759 11.930 2.293
148 HE2 MET 19 HE2 MET 19 2.457 12.170 1.874
149 HE3 MET 19 HE3 MET 19 1.584 10.727 1.289
150 H GLU 20 H GLU 20 5.887 8.087 1.607
151 HA GLU 20 HA GLU 20 8.316 7.322 3.065
152 HB2 GLU 20 HB2 GLU 20 7.560 8.550 0.473
153 HB3 GLU 20 HB3 GLU 20 8.866 9.432 1.228
154 HG2 GLU 20 HG2 GLU 20 8.909 6.467 0.934
155 HG3 GLU 20 HG3 GLU 20 9.571 7.576 -0.290
156 H ARG 21 H ARG 21 9.299 8.609 4.726
157 HA ARG 21 HA ARG 21 8.010 11.188 5.245
158 HB2 ARG 21 HB2 ARG 21 8.961 9.676 7.036
159 HB3 ARG 21 HB3 ARG 21 10.586 10.165 6.516
160 HG2 ARG 21 HG2 ARG 21 10.127 12.493 7.045
161 HG3 ARG 21 HG3 ARG 21 8.403 12.188 7.265
162 HD2 ARG 21 HD2 ARG 21 10.600 11.059 9.029
163 HD3 ARG 21 HD3 ARG 21 9.681 12.530 9.376
164 HE ARG 21 HE ARG 21 7.680 11.292 9.604
165 HH11 ARG 21 HH11 ARG 21 10.548 9.148 9.505
166 HH12 ARG 21 HH12 ARG 21 9.612 7.729 9.872
167 HH21 ARG 21 HH21 ARG 21 6.539 9.523 9.989
168 HH22 ARG 21 HH22 ARG 21 7.199 7.909 9.950
169 H SER 22 H SER 22 10.543 10.100 3.089
170 HA SER 22 HA SER 22 12.258 12.290 3.067
171 HB2 SER 22 HB2 SER 22 12.553 10.151 1.832
172 HB3 SER 22 HB3 SER 22 11.290 10.632 0.695
173 HG SER 22 HG SER 22 13.921 11.435 0.949
174 H SER 23 H SER 23 9.315 11.899 0.942
175 HA SER 23 HA SER 23 8.978 14.856 1.023
176 HB2 SER 23 HB2 SER 23 9.100 13.065 -1.404
177 HB3 SER 23 HB3 SER 23 8.264 14.596 -1.417
178 HG SER 23 HG SER 23 10.165 15.663 -0.979
179 H GLY 24 H GLY 24 7.488 11.804 1.659
180 HA2 GLY 24 HA2 GLY 24 5.335 11.618 2.483
181 HA3 GLY 24 HA3 GLY 24 4.935 13.216 1.856
182 H ARG 25 H ARG 25 6.138 10.079 0.393
183 HA ARG 25 HA ARG 25 3.963 10.424 -1.619
184 HB2 ARG 25 HB2 ARG 25 6.449 10.728 -2.310
185 HB3 ARG 25 HB3 ARG 25 6.589 8.984 -2.085
186 HG2 ARG 25 HG2 ARG 25 6.133 9.336 -4.388
187 HG3 ARG 25 HG3 ARG 25 4.618 8.727 -3.700
188 HD2 ARG 25 HD2 ARG 25 3.745 11.077 -3.619
189 HD3 ARG 25 HD3 ARG 25 5.281 11.653 -4.259
190 HE ARG 25 HE ARG 25 4.735 10.967 -6.341
191 HH11 ARG 25 HH11 ARG 25 2.031 10.113 -4.237
192 HH12 ARG 25 HH12 ARG 25 1.227 9.098 -5.362
193 HH21 ARG 25 HH21 ARG 25 3.680 9.557 -7.924
194 HH22 ARG 25 HH22 ARG 25 2.173 8.810 -7.505
195 H VAL 26 H VAL 26 2.505 8.796 -1.658
196 HA VAL 26 HA VAL 26 2.722 6.750 0.384
197 HB VAL 26 HB VAL 26 0.620 6.933 -1.797
198 HG11 VAL 26 HG11 VAL 26 0.543 4.855 -0.457
199 HG12 VAL 26 HG12 VAL 26 0.607 5.788 1.046
200 HG13 VAL 26 HG13 VAL 26 -0.815 5.904 -0.018
201 HG21 VAL 26 HG21 VAL 26 0.707 9.151 -0.738
202 HG22 VAL 26 HG22 VAL 26 -0.720 8.293 -0.198
203 HG23 VAL 26 HG23 VAL 26 0.692 8.403 0.879
204 H TYR 27 H TYR 27 2.857 4.397 0.006
205 HA TYR 27 HA TYR 27 3.354 3.402 -2.657
206 HB2 TYR 27 HB2 TYR 27 5.616 2.794 -2.433
207 HB3 TYR 27 HB3 TYR 27 5.536 4.501 -2.110
208 HD1 TYR 27 HD2 TYR 27 5.285 5.157 0.510
209 HD2 TYR 27 HD1 TYR 27 6.924 1.482 -1.026
210 HE1 TYR 27 HE2 TYR 27 6.570 4.905 2.548
211 HE2 TYR 27 HE1 TYR 27 8.124 1.119 1.079
212 HH TYR 27 HH TYR 27 8.969 2.391 3.014
213 H TYR 28 H TYR 28 4.391 1.012 -2.141
214 HA TYR 28 HA TYR 28 2.906 -0.141 0.181
215 HB2 TYR 28 HB2 TYR 28 3.274 -1.433 -2.540
216 HB3 TYR 28 HB3 TYR 28 2.401 -2.089 -1.167
217 HD1 TYR 28 HD1 TYR 28 0.517 -0.314 -0.221
218 HD2 TYR 28 HD2 TYR 28 1.979 -0.567 -4.246
219 HE1 TYR 28 HE1 TYR 28 -1.561 0.748 -1.004
220 HE2 TYR 28 HE2 TYR 28 -0.129 0.394 -5.073
221 HH TYR 28 HH TYR 28 -2.959 1.090 -3.168
222 H PHE 29 H PHE 29 4.093 -1.714 1.328
223 HA PHE 29 HA PHE 29 6.873 -2.297 0.393
224 HB2 PHE 29 HB2 PHE 29 6.870 -0.496 2.117
225 HB3 PHE 29 HB3 PHE 29 5.996 -1.559 3.209
226 HD1 PHE 29 HD2 PHE 29 7.148 -3.789 3.943
227 HD2 PHE 29 HD1 PHE 29 9.248 -0.679 1.801
228 HE1 PHE 29 HE2 PHE 29 9.336 -4.667 4.744
229 HE2 PHE 29 HE1 PHE 29 11.398 -1.654 2.530
230 HZ PHE 29 HZ PHE 29 11.435 -3.593 4.049
231 H ASN 30 H ASN 30 7.301 -4.386 0.450
232 HA ASN 30 HA ASN 30 5.366 -6.269 1.666
233 HB2 ASN 30 HB2 ASN 30 6.088 -6.485 -0.711
234 HB3 ASN 30 HB3 ASN 30 7.706 -6.878 -0.122
235 HD21 ASN 30 HD21 ASN 30 5.213 -8.477 -1.428
236 HD22 ASN 30 HD22 ASN 30 5.132 -9.878 -0.403
237 H HIS 31 H HIS 31 5.851 -6.768 3.795
238 HA HIS 31 HA HIS 31 8.577 -6.537 4.799
239 HB2 HIS 31 HB2 HIS 31 7.680 -6.927 6.923
240 HB3 HIS 31 HB3 HIS 31 6.530 -5.882 6.099
241 HD1 HIS 31 HD1 HIS 31 6.908 -9.480 7.428
242 HD2 HIS 31 HD2 HIS 31 4.019 -6.900 5.740
243 HE1 HIS 31 HE1 HIS 31 4.713 -10.683 7.564
244 H ILE 32 H ILE 32 6.941 -9.087 3.219
245 HA ILE 32 HA ILE 32 8.239 -11.298 4.629
246 HB ILE 32 HB ILE 32 6.744 -11.115 1.972
247 HG12 ILE 32 HG12 ILE 32 6.019 -12.264 4.674
248 HG13 ILE 32 HG13 ILE 32 5.394 -10.777 3.985
249 HG21 ILE 32 HG21 ILE 32 7.906 -13.606 3.183
250 HG22 ILE 32 HG22 ILE 32 6.740 -13.537 1.837
251 HG23 ILE 32 HG23 ILE 32 8.319 -12.838 1.621
252 HD11 ILE 32 HD11 ILE 32 3.685 -12.406 3.663
253 HD12 ILE 32 HD12 ILE 32 4.424 -12.155 2.070
254 HD13 ILE 32 HD13 ILE 32 4.819 -13.601 3.025
255 H THR 33 H THR 33 8.847 -9.378 1.637
256 HA THR 33 HA THR 33 11.512 -10.742 1.527
257 HB THR 33 HB THR 33 9.787 -11.567 -0.050
258 HG1 THR 33 HG1 THR 33 11.895 -11.901 -0.606
259 HG21 THR 33 HG21 THR 33 8.656 -9.445 -0.612
260 HG22 THR 33 HG22 THR 33 9.269 -10.268 -2.058
261 HG23 THR 33 HG23 THR 33 10.159 -8.889 -1.396
262 H ASN 34 H ASN 34 10.251 -7.915 2.408
263 HA ASN 34 HA ASN 34 11.089 -5.849 2.720
264 HB2 ASN 34 HB2 ASN 34 13.194 -7.248 3.203
265 HB3 ASN 34 HB3 ASN 34 13.743 -6.744 1.611
266 HD21 ASN 34 HD21 ASN 34 13.296 -5.849 4.927
267 HD22 ASN 34 HD22 ASN 34 14.032 -4.278 4.832
268 H ALA 35 H ALA 35 9.901 -6.762 0.181
269 HA ALA 35 HA ALA 35 11.155 -5.086 -1.899
270 HB1 ALA 35 HB1 ALA 35 8.761 -6.987 -1.925
271 HB2 ALA 35 HB2 ALA 35 9.195 -5.939 -3.285
272 HB3 ALA 35 HB3 ALA 35 10.327 -7.163 -2.715
273 H SER 36 H SER 36 9.476 -3.630 -3.065
274 HA SER 36 HA SER 36 7.357 -2.486 -1.657
275 HB2 SER 36 HB2 SER 36 8.391 -0.328 -1.239
276 HB3 SER 36 HB3 SER 36 9.262 -1.679 -0.528
277 HG SER 36 HG SER 36 10.917 -1.535 -1.862
278 H GLN 37 H GLN 37 6.133 -1.123 -3.076
279 HA GLN 37 HA GLN 37 7.256 -0.419 -5.571
280 HB2 GLN 37 HB2 GLN 37 5.144 -2.640 -5.382
281 HB3 GLN 37 HB3 GLN 37 5.174 -1.558 -6.775
282 HG2 GLN 37 HG2 GLN 37 7.674 -2.220 -7.010
283 HG3 GLN 37 HG3 GLN 37 7.253 -3.585 -5.962
284 HE21 GLN 37 HE21 GLN 37 8.033 -3.464 -8.913
285 HE22 GLN 37 HE22 GLN 37 6.768 -4.420 -9.661
286 H TRP 38 H TRP 38 5.471 0.744 -6.838
287 HA TRP 38 HA TRP 38 3.892 2.419 -4.982
288 HB2 TRP 38 HB2 TRP 38 4.587 2.848 -7.902
289 HB3 TRP 38 HB3 TRP 38 3.985 4.049 -6.754
290 HD1 TRP 38 HD1 TRP 38 7.099 2.120 -7.764
291 HE1 TRP 38 HE1 TRP 38 9.166 2.952 -6.536
292 HE3 TRP 38 HE3 TRP 38 4.822 5.508 -4.754
293 HZ2 TRP 38 HZ2 TRP 38 9.771 4.959 -4.491
294 HZ3 TRP 38 HZ3 TRP 38 6.161 6.967 -3.262
295 HH2 TRP 38 HH2 TRP 38 8.637 6.648 -3.078
296 H GLU 39 H GLU 39 3.588 0.257 -7.821
297 HA GLU 39 HA GLU 39 0.793 0.660 -8.279
298 HB2 GLU 39 HB2 GLU 39 2.804 -1.468 -9.176
299 HB3 GLU 39 HB3 GLU 39 1.191 -1.194 -9.850
300 HG2 GLU 39 HG2 GLU 39 2.512 0.024 -11.325
301 HG3 GLU 39 HG3 GLU 39 1.940 1.250 -10.183
302 H ARG 40 H ARG 40 -0.873 -0.845 -7.845
303 HA ARG 40 HA ARG 40 -0.861 -2.011 -5.314
304 HB2 ARG 40 HB2 ARG 40 -2.734 -2.180 -7.652
305 HB3 ARG 40 HB3 ARG 40 -3.000 -3.198 -6.233
306 HG2 ARG 40 HG2 ARG 40 -3.091 -1.292 -4.749
307 HG3 ARG 40 HG3 ARG 40 -2.594 -0.191 -6.034
308 HD2 ARG 40 HD2 ARG 40 -4.982 0.019 -5.649
309 HD3 ARG 40 HD3 ARG 40 -4.690 -0.635 -7.265
310 HE ARG 40 HE ARG 40 -5.667 -2.654 -6.651
311 HH11 ARG 40 HH11 ARG 40 -5.358 -0.641 -3.647
312 HH12 ARG 40 HH12 ARG 40 -6.287 -1.834 -2.766
313 HH21 ARG 40 HH21 ARG 40 -6.762 -4.102 -5.351
314 HH22 ARG 40 HH22 ARG 40 -7.070 -3.722 -3.670
315 HA PRO 41 HA PRO 41 1.207 -5.890 -6.393
316 HB2 PRO 41 HB2 PRO 41 1.647 -6.794 -3.879
317 HB3 PRO 41 HB3 PRO 41 2.541 -5.393 -4.542
318 HG2 PRO 41 HG2 PRO 41 0.068 -5.390 -2.783
319 HG3 PRO 41 HG3 PRO 41 1.578 -4.476 -2.503
320 HD2 PRO 41 HD2 PRO 41 -0.578 -3.362 -3.720
321 HD3 PRO 41 HD3 PRO 41 1.087 -2.963 -4.225
322 H SER 42 H SER 42 0.854 -8.266 -5.565
323 HA SER 42 HA SER 42 -1.779 -8.894 -4.573
324 HB2 SER 42 HB2 SER 42 -0.960 -9.628 -7.408
325 HB3 SER 42 HB3 SER 42 -2.316 -10.366 -6.522
326 HG SER 42 HG SER 42 -2.932 -8.041 -6.132
327 H GLY 43 H GLY 43 -0.938 -9.900 -2.896
328 HA2 GLY 43 HA2 GLY 43 0.083 -11.488 -1.588
329 HA3 GLY 43 HA3 GLY 43 -0.155 -12.582 -2.953
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