Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
581676 | 2mmi RC | 19855 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 -13.150 -10.473 -15.352
2 H2 GLY 1 H2 GLY 1 -12.974 -9.463 -14.001
3 H3 GLY 1 H3 GLY 1 -11.843 -9.404 -15.263
4 HA2 GLY 1 HA3 GLY 1 -11.178 -10.631 -13.167
5 HA3 GLY 1 HA2 GLY 1 -12.308 -11.880 -13.742
6 H SER 2 H SER 2 -9.278 -11.653 -13.414
7 HA SER 2 HA SER 2 -8.591 -12.587 -16.114
8 HB2 SER 2 HB2 SER 2 -6.337 -11.689 -15.846
9 HB3 SER 2 HB3 SER 2 -7.536 -10.375 -15.786
10 HG SER 2 HG SER 2 -5.970 -10.231 -14.114
11 H THR 3 H THR 3 -6.999 -14.278 -16.137
12 HA THR 3 HA THR 3 -7.152 -15.935 -13.766
13 HB THR 3 HB THR 3 -5.809 -16.469 -16.406
14 HG1 THR 3 HG1 THR 3 -7.700 -17.737 -16.691
15 HG21 THR 3 1HG2 THR 3 -6.568 -18.267 -14.064
16 HG22 THR 3 2HG2 THR 3 -5.871 -18.807 -15.611
17 HG23 THR 3 3HG2 THR 3 -4.913 -17.786 -14.513
18 H ALA 4 H ALA 4 -6.064 -14.533 -12.368
19 HA ALA 4 HA ALA 4 -3.179 -14.234 -12.815
20 HB1 ALA 4 HB1 ALA 4 -5.013 -12.732 -10.891
21 HB2 ALA 4 HB2 ALA 4 -3.257 -12.502 -11.063
22 HB3 ALA 4 HB3 ALA 4 -4.347 -12.073 -12.403
23 H MET 5 H MET 5 -1.881 -15.160 -11.151
24 HA MET 5 HA MET 5 -2.984 -17.332 -9.736
25 HB2 MET 5 HB2 MET 5 -0.849 -17.681 -8.794
26 HB3 MET 5 HB3 MET 5 -0.560 -17.106 -10.453
27 HG2 MET 5 HG2 MET 5 -0.415 -15.401 -7.939
28 HG3 MET 5 HG3 MET 5 0.974 -16.054 -8.840
29 HE1 MET 5 HE1 MET 5 2.057 -13.708 -8.786
30 HE2 MET 5 HE2 MET 5 1.250 -12.226 -9.354
31 HE3 MET 5 HE3 MET 5 0.648 -13.070 -7.907
32 H ALA 6 H ALA 6 -3.864 -17.576 -7.912
33 HA ALA 6 HA ALA 6 -4.944 -17.203 -6.019
34 HB1 ALA 6 HB1 ALA 6 -2.561 -15.451 -5.376
35 HB2 ALA 6 HB2 ALA 6 -3.774 -16.048 -4.218
36 HB3 ALA 6 HB3 ALA 6 -2.711 -17.197 -5.065
37 H THR 7 H THR 7 -5.591 -15.446 -8.339
38 HA THR 7 HA THR 7 -6.799 -13.695 -8.910
39 HB THR 7 HB THR 7 -8.755 -13.225 -7.674
40 HG1 THR 7 HG1 THR 7 -7.833 -13.355 -5.581
41 HG21 THR 7 1HG2 THR 7 -8.024 -16.182 -7.705
42 HG22 THR 7 2HG2 THR 7 -9.674 -15.516 -7.666
43 HG23 THR 7 3HG2 THR 7 -8.640 -15.245 -9.088
44 H THR 8 H THR 8 -4.283 -12.892 -8.145
45 HA THR 8 HA THR 8 -4.417 -10.692 -6.329
46 HB THR 8 HB THR 8 -2.361 -11.391 -8.429
47 HG1 THR 8 HG1 THR 8 -2.696 -12.964 -6.784
48 HG21 THR 8 1HG2 THR 8 -2.238 -9.553 -6.008
49 HG22 THR 8 2HG2 THR 8 -0.877 -9.965 -7.079
50 HG23 THR 8 3HG2 THR 8 -2.257 -9.034 -7.709
51 H MET 9 H MET 9 -4.711 -8.502 -6.781
52 HA MET 9 HA MET 9 -6.149 -7.935 -9.212
53 HB2 MET 9 HB2 MET 9 -6.652 -6.906 -6.903
54 HB3 MET 9 HB3 MET 9 -5.238 -5.869 -7.209
55 HG2 MET 9 HG2 MET 9 -7.240 -4.724 -8.021
56 HG3 MET 9 HG3 MET 9 -6.261 -5.225 -9.419
57 HE1 MET 9 HE1 MET 9 -8.174 -4.898 -11.114
58 HE2 MET 9 HE2 MET 9 -9.827 -5.520 -10.892
59 HE3 MET 9 HE3 MET 9 -9.190 -4.272 -9.794
60 H GLU 10 H GLU 10 -5.319 -7.032 -10.987
61 HA GLU 10 HA GLU 10 -2.545 -7.025 -11.465
62 HB2 GLU 10 HB2 GLU 10 -4.773 -5.843 -13.130
63 HB3 GLU 10 HB3 GLU 10 -3.109 -6.189 -13.654
64 HG2 GLU 10 HG2 GLU 10 -3.469 -8.596 -13.141
65 HG3 GLU 10 HG3 GLU 10 -5.149 -8.231 -12.681
66 H GLN 11 H GLN 11 -4.713 -4.163 -10.838
67 HA GLN 11 HA GLN 11 -2.565 -2.436 -11.673
68 HB2 GLN 11 HB2 GLN 11 -3.703 -0.549 -10.719
69 HB3 GLN 11 HB3 GLN 11 -4.734 -1.463 -11.846
70 HG2 GLN 11 HG2 GLN 11 -4.917 -2.239 -8.978
71 HG3 GLN 11 HG3 GLN 11 -5.557 -0.634 -9.407
72 HE21 GLN 11 1HE2 GLN 11 -7.722 -0.939 -9.291
73 HE22 GLN 11 2HE2 GLN 11 -8.602 -2.123 -10.232
74 H GLU 12 H GLU 12 -1.479 -0.884 -10.512
75 HA GLU 12 HA GLU 12 -0.240 -2.001 -8.171
76 HB2 GLU 12 HB2 GLU 12 0.324 0.616 -9.602
77 HB3 GLU 12 HB3 GLU 12 1.356 -0.214 -8.412
78 HG2 GLU 12 HG2 GLU 12 1.495 -2.147 -10.027
79 HG3 GLU 12 HG3 GLU 12 0.678 -1.112 -11.223
80 H ILE 13 H ILE 13 -1.882 -2.023 -6.687
81 HA ILE 13 HA ILE 13 -3.210 0.419 -5.872
82 HB ILE 13 HB ILE 13 -4.434 -0.935 -4.325
83 HG12 ILE 13 2HG1 ILE 13 -4.346 -3.442 -4.624
84 HG13 ILE 13 3HG1 ILE 13 -2.762 -3.220 -5.403
85 HG21 ILE 13 1HG2 ILE 13 -4.264 -2.037 -7.167
86 HG22 ILE 13 2HG2 ILE 13 -5.654 -2.213 -6.071
87 HG23 ILE 13 3HG2 ILE 13 -5.188 -0.601 -6.667
88 HD11 ILE 13 3HD1 ILE 13 -1.903 -2.164 -3.353
89 HD12 ILE 13 1HD1 ILE 13 -3.487 -2.386 -2.574
90 HD13 ILE 13 2HD1 ILE 13 -2.517 -3.805 -3.039
91 H CYS 14 H CYS 14 -0.181 -0.806 -4.790
92 HA CYS 14 HA CYS 14 -0.538 -0.223 -2.040
93 HB2 CYS 14 HB2 CYS 14 1.399 -1.535 -2.838
94 HB3 CYS 14 HB3 CYS 14 2.085 -0.032 -3.501
95 H ALA 15 H ALA 15 0.042 1.546 -0.841
96 HA ALA 15 HA ALA 15 -0.931 3.995 -1.771
97 HB1 ALA 15 HB1 ALA 15 0.801 3.382 0.653
98 HB2 ALA 15 HB2 ALA 15 -0.118 4.881 0.372
99 HB3 ALA 15 HB3 ALA 15 -0.977 3.340 0.603
100 H HIS 16 H HIS 16 2.461 2.846 -1.292
101 HA HIS 16 HA HIS 16 3.661 5.333 -1.798
102 HB2 HIS 16 HB2 HIS 16 4.716 2.525 -2.109
103 HB3 HIS 16 HB3 HIS 16 5.685 4.001 -2.331
104 HD2 HIS 16 HD2 HIS 16 6.931 4.890 -0.144
105 HE1 HIS 16 HE1 HIS 16 4.582 2.844 2.723
106 H SER 17 H SER 17 2.722 2.669 -4.105
107 HA SER 17 HA SER 17 2.187 4.171 -6.279
108 HB2 SER 17 HB2 SER 17 4.150 3.986 -7.777
109 HB3 SER 17 HB3 SER 17 4.402 5.155 -6.459
110 HG SER 17 HG SER 17 6.190 3.764 -6.769
111 H MET 18 H MET 18 4.336 1.369 -5.484
112 HA MET 18 HA MET 18 3.409 -0.119 -7.759
113 HB2 MET 18 HB2 MET 18 5.214 -1.017 -5.520
114 HB3 MET 18 HB3 MET 18 4.991 -1.766 -7.120
115 HG2 MET 18 HG2 MET 18 5.864 0.334 -8.156
116 HG3 MET 18 HG3 MET 18 6.214 0.942 -6.521
117 HE1 MET 18 HE1 MET 18 8.686 1.381 -7.288
118 HE2 MET 18 HE2 MET 18 9.738 0.142 -8.011
119 HE3 MET 18 HE3 MET 18 8.314 0.730 -8.900
120 H THR 19 H THR 19 3.299 -2.645 -7.254
121 HA THR 19 HA THR 19 0.568 -2.979 -6.437
122 HB THR 19 HB THR 19 2.692 -4.968 -7.342
123 HG1 THR 19 HG1 THR 19 2.160 -3.325 -8.867
124 HG21 THR 19 1HG2 THR 19 -0.338 -5.198 -7.268
125 HG22 THR 19 2HG2 THR 19 0.792 -6.401 -7.935
126 HG23 THR 19 3HG2 THR 19 0.796 -6.048 -6.191
127 H PHE 20 H PHE 20 0.008 -4.819 -4.901
128 HA PHE 20 HA PHE 20 0.977 -4.440 -2.327
129 HB2 PHE 20 HB2 PHE 20 -1.301 -5.267 -2.963
130 HB3 PHE 20 HB3 PHE 20 -0.578 -6.730 -3.673
131 HD1 PHE 20 HD2 PHE 20 -1.246 -4.912 -0.510
132 HD2 PHE 20 HD1 PHE 20 0.090 -8.574 -2.321
133 HE1 PHE 20 HE2 PHE 20 -1.386 -6.051 1.688
134 HE2 PHE 20 HE1 PHE 20 -0.048 -9.713 -0.123
135 HZ PHE 20 HZ PHE 20 -0.787 -8.451 1.884
136 H GLU 21 H GLU 21 1.622 -6.907 -4.878
137 HA GLU 21 HA GLU 21 3.313 -8.614 -3.427
138 HB2 GLU 21 HB2 GLU 21 2.069 -9.143 -5.551
139 HB3 GLU 21 HB3 GLU 21 3.157 -8.037 -6.421
140 HG2 GLU 21 HG2 GLU 21 5.080 -9.410 -5.867
141 HG3 GLU 21 HG3 GLU 21 4.083 -10.457 -4.830
142 H GLU 22 H GLU 22 3.849 -5.649 -5.359
143 HA GLU 22 HA GLU 22 6.738 -5.790 -5.148
144 HB2 GLU 22 HB2 GLU 22 4.881 -3.828 -6.552
145 HB3 GLU 22 HB3 GLU 22 6.658 -3.820 -6.626
146 HG2 GLU 22 HG2 GLU 22 4.897 -6.122 -7.539
147 HG3 GLU 22 HG3 GLU 22 5.601 -4.887 -8.610
148 H CYS 23 H CYS 23 4.512 -5.004 -2.905
149 HA CYS 23 HA CYS 23 4.972 -2.405 -2.147
150 HB2 CYS 23 HB2 CYS 23 3.199 -3.827 -1.186
151 HB3 CYS 23 HB3 CYS 23 4.445 -4.715 -0.274
152 HG CYS 23 HG CYS 23 3.230 -3.022 1.295
153 HA PRO 24 HA PRO 24 8.650 -3.653 0.601
154 HB2 PRO 24 HB2 PRO 24 10.428 -5.502 -0.295
155 HB3 PRO 24 HB3 PRO 24 9.141 -5.857 0.882
156 HG2 PRO 24 HG2 PRO 24 9.162 -6.326 -2.133
157 HG3 PRO 24 HG3 PRO 24 8.579 -7.416 -0.852
158 HD2 PRO 24 HD2 PRO 24 6.843 -5.867 -2.284
159 HD3 PRO 24 HD3 PRO 24 6.567 -6.226 -0.563
160 H LYS 25 H LYS 25 8.818 -3.837 -2.983
161 HA LYS 25 HA LYS 25 11.271 -2.409 -3.206
162 HB2 LYS 25 HB2 LYS 25 9.098 -2.719 -5.269
163 HB3 LYS 25 HB3 LYS 25 10.739 -2.080 -5.523
164 HG2 LYS 25 HG2 LYS 25 11.646 -4.277 -4.673
165 HG3 LYS 25 HG3 LYS 25 9.977 -4.895 -4.646
166 HD2 LYS 25 HD2 LYS 25 11.034 -5.566 -6.735
167 HD3 LYS 25 HD3 LYS 25 9.791 -4.343 -7.089
168 HE2 LYS 25 HE2 LYS 25 11.846 -3.901 -8.363
169 HE3 LYS 25 HE3 LYS 25 11.545 -2.600 -7.187
170 HZ1 LYS 25 HZ1 LYS 25 13.402 -4.835 -6.827
171 HZ2 LYS 25 HZ2 LYS 25 13.815 -3.284 -7.204
172 HZ3 LYS 25 HZ3 LYS 25 13.127 -3.622 -5.743
173 H CYS 26 H CYS 26 7.961 -1.391 -2.519
174 HA CYS 26 HA CYS 26 8.017 1.198 -3.564
175 HB2 CYS 26 HB2 CYS 26 6.532 -0.023 -1.222
176 HB3 CYS 26 HB3 CYS 26 6.283 1.637 -1.814
177 HG CYS 26 HG CYS 26 4.340 0.122 -2.570
178 H SER 27 H SER 27 9.297 -0.256 -0.550
179 HA SER 27 HA SER 27 9.746 2.084 0.932
180 HB2 SER 27 HB2 SER 27 11.266 -0.545 0.960
181 HB3 SER 27 HB3 SER 27 11.334 0.727 2.202
182 HG SER 27 HG SER 27 9.848 -0.939 2.720
183 H ALA 28 H ALA 28 11.656 0.378 -1.608
184 HA ALA 28 HA ALA 28 14.044 1.885 -1.249
185 HB1 ALA 28 HB1 ALA 28 13.019 0.447 -3.721
186 HB2 ALA 28 HB2 ALA 28 14.662 1.086 -3.476
187 HB3 ALA 28 HB3 ALA 28 14.068 -0.255 -2.468
188 H LEU 29 H LEU 29 14.598 3.849 -2.227
189 HA LEU 29 HA LEU 29 12.393 5.364 -3.380
190 HB2 LEU 29 HB2 LEU 29 14.896 5.991 -1.893
191 HB3 LEU 29 HB3 LEU 29 14.390 7.146 -3.148
192 HG LEU 29 HG LEU 29 12.106 7.191 -2.085
193 HD11 LEU 29 1HD1 LEU 29 13.487 5.657 0.137
194 HD12 LEU 29 2HD1 LEU 29 11.865 6.385 0.212
195 HD13 LEU 29 3HD1 LEU 29 12.188 5.043 -0.912
196 HD21 LEU 29 3HD2 LEU 29 14.465 7.962 -0.321
197 HD22 LEU 29 1HD2 LEU 29 13.793 8.936 -1.650
198 HD23 LEU 29 2HD2 LEU 29 12.816 8.618 -0.196
199 H GLN 30 H GLN 30 14.392 3.310 -4.877
200 HA GLN 30 HA GLN 30 15.778 4.883 -6.734
201 HB2 GLN 30 HB2 GLN 30 14.768 2.064 -7.035
202 HB3 GLN 30 HB3 GLN 30 15.922 2.898 -8.099
203 HG2 GLN 30 HG2 GLN 30 17.450 3.232 -6.174
204 HG3 GLN 30 HG3 GLN 30 16.310 2.366 -5.124
205 HE21 GLN 30 2HE2 GLN 30 19.087 2.025 -6.970
206 HE22 GLN 30 1HE2 GLN 30 19.040 0.297 -7.239
207 H TYR 31 H TYR 31 12.387 3.702 -6.770
208 HA TYR 31 HA TYR 31 11.848 4.397 -9.444
209 HB2 TYR 31 HB2 TYR 31 10.347 2.910 -8.261
210 HB3 TYR 31 HB3 TYR 31 10.047 4.123 -7.011
211 HD1 TYR 31 HD1 TYR 31 9.676 3.564 -10.701
212 HD2 TYR 31 HD2 TYR 31 8.243 5.594 -7.191
213 HE1 TYR 31 HE1 TYR 31 7.771 4.467 -12.007
214 HE2 TYR 31 HE2 TYR 31 6.332 6.495 -8.483
215 HH TYR 31 HH TYR 31 5.877 5.763 -11.967
216 H ARG 32 H ARG 32 11.648 6.269 -6.354
217 HA ARG 32 HA ARG 32 10.345 8.522 -7.406
218 HB2 ARG 32 HB2 ARG 32 12.206 8.306 -5.022
219 HB3 ARG 32 HB3 ARG 32 11.199 9.708 -5.450
220 HG2 ARG 32 HG2 ARG 32 9.182 8.180 -5.396
221 HG3 ARG 32 HG3 ARG 32 10.240 6.916 -4.725
222 HD2 ARG 32 HD2 ARG 32 10.852 8.511 -2.874
223 HD3 ARG 32 HD3 ARG 32 9.675 9.661 -3.527
224 HE ARG 32 HE ARG 32 8.441 7.107 -3.106
225 HH11 ARG 32 2HH1 ARG 32 9.661 9.946 -1.375
226 HH12 ARG 32 1HH1 ARG 32 8.603 9.720 0.001
227 HH21 ARG 32 2HH2 ARG 32 7.065 6.814 -1.294
228 HH22 ARG 32 1HH2 ARG 32 7.125 7.936 0.047
229 H ASN 33 H ASN 33 13.834 7.656 -7.154
230 HA ASN 33 HA ASN 33 14.787 10.183 -8.021
231 HB2 ASN 33 HB2 ASN 33 16.098 7.443 -8.233
232 HB3 ASN 33 HB3 ASN 33 16.897 9.004 -8.516
233 HD21 ASN 33 1HD2 ASN 33 17.441 6.873 -6.473
234 HD22 ASN 33 2HD2 ASN 33 17.342 7.680 -4.923
235 H GLY 34 H GLY 34 15.630 10.734 -10.141
236 HA2 GLY 34 HA2 GLY 34 15.954 10.401 -12.400
237 HA3 GLY 34 HA3 GLY 34 14.905 8.976 -12.355
238 H PHE 35 H PHE 35 13.340 11.409 -10.557
239 HA PHE 35 HA PHE 35 11.703 12.152 -12.871
240 HB2 PHE 35 HB2 PHE 35 11.037 12.167 -9.949
241 HB3 PHE 35 HB3 PHE 35 10.172 13.146 -11.137
242 HD1 PHE 35 HD1 PHE 35 10.930 9.637 -10.132
243 HD2 PHE 35 HD2 PHE 35 8.671 12.208 -12.730
244 HE1 PHE 35 HE1 PHE 35 9.450 7.741 -10.720
245 HE2 PHE 35 HE2 PHE 35 7.215 10.299 -13.343
246 HZ PHE 35 HZ PHE 35 7.598 8.067 -12.328
247 H TYR 36 H TYR 36 11.492 14.210 -13.478
248 HA TYR 36 HA TYR 36 13.608 15.980 -13.069
249 HB2 TYR 36 HB2 TYR 36 12.290 15.812 -15.131
250 HB3 TYR 36 HB3 TYR 36 10.824 16.296 -14.267
251 HD1 TYR 36 HD1 TYR 36 14.345 17.604 -14.582
252 HD2 TYR 36 HD2 TYR 36 10.131 18.455 -14.695
253 HE1 TYR 36 HE1 TYR 36 14.845 19.986 -15.048
254 HE2 TYR 36 HE2 TYR 36 10.617 20.839 -15.160
255 HH TYR 36 HH TYR 36 13.976 22.076 -15.436
256 H LEU 37 H LEU 37 10.222 16.127 -11.659
257 HA LEU 37 HA LEU 37 11.419 18.015 -9.727
258 HB2 LEU 37 HB2 LEU 37 8.665 18.268 -10.957
259 HB3 LEU 37 HB3 LEU 37 9.255 19.191 -9.565
260 HG LEU 37 HG LEU 37 10.551 19.224 -12.321
261 HD11 LEU 37 1HD1 LEU 37 8.720 21.256 -10.978
262 HD12 LEU 37 2HD1 LEU 37 9.505 21.439 -12.564
263 HD13 LEU 37 3HD1 LEU 37 8.260 20.191 -12.330
264 HD21 LEU 37 3HD2 LEU 37 10.922 20.976 -9.850
265 HD22 LEU 37 1HD2 LEU 37 12.105 19.810 -10.490
266 HD23 LEU 37 2HD2 LEU 37 11.685 21.253 -11.433
267 H LEU 38 H LEU 38 11.244 17.394 -7.743
268 HA LEU 38 HA LEU 38 9.961 15.040 -6.902
269 HB2 LEU 38 HB2 LEU 38 11.026 17.406 -5.312
270 HB3 LEU 38 HB3 LEU 38 10.517 15.858 -4.624
271 HG LEU 38 HG LEU 38 12.810 16.250 -6.594
272 HD11 LEU 38 1HD1 LEU 38 12.756 15.590 -3.616
273 HD12 LEU 38 2HD1 LEU 38 14.211 15.688 -4.634
274 HD13 LEU 38 3HD1 LEU 38 13.243 17.148 -4.325
275 HD21 LEU 38 3HD2 LEU 38 11.785 13.782 -5.119
276 HD22 LEU 38 1HD2 LEU 38 11.821 14.034 -6.883
277 HD23 LEU 38 2HD2 LEU 38 13.338 13.873 -5.982
278 H LYS 39 H LYS 39 9.191 18.509 -6.767
279 HA LYS 39 HA LYS 39 6.985 18.457 -5.051
280 HB2 LYS 39 HB2 LYS 39 7.774 20.430 -7.222
281 HB3 LYS 39 HB3 LYS 39 6.463 20.667 -6.050
282 HG2 LYS 39 HG2 LYS 39 8.096 20.447 -4.188
283 HG3 LYS 39 HG3 LYS 39 9.412 20.310 -5.380
284 HD2 LYS 39 HD2 LYS 39 8.831 22.534 -6.289
285 HD3 LYS 39 HD3 LYS 39 7.478 22.659 -5.142
286 HE2 LYS 39 HE2 LYS 39 9.070 22.509 -3.250
287 HE3 LYS 39 HE3 LYS 39 10.420 22.413 -4.398
288 HZ1 LYS 39 HZ1 LYS 39 8.544 24.657 -4.139
289 HZ2 LYS 39 HZ2 LYS 39 9.794 24.570 -5.211
290 HZ3 LYS 39 HZ3 LYS 39 10.099 24.628 -3.591
291 H TYR 40 H TYR 40 7.192 17.524 -8.461
292 HA TYR 40 HA TYR 40 4.546 18.211 -9.181
293 HB2 TYR 40 HB2 TYR 40 6.321 17.752 -10.824
294 HB3 TYR 40 HB3 TYR 40 6.313 16.050 -10.343
295 HD1 TYR 40 HD1 TYR 40 4.138 18.772 -11.668
296 HD2 TYR 40 HD2 TYR 40 4.800 14.552 -11.365
297 HE1 TYR 40 HE1 TYR 40 2.246 18.385 -13.218
298 HE2 TYR 40 HE2 TYR 40 2.911 14.132 -12.922
299 HH TYR 40 HH TYR 40 0.989 16.828 -14.333
300 H ASP 41 H ASP 41 2.654 17.283 -8.948
301 HA ASP 41 HA ASP 41 2.416 15.262 -6.918
302 HB2 ASP 41 HB2 ASP 41 0.889 17.203 -6.966
303 HB3 ASP 41 HB3 ASP 41 0.330 16.737 -8.584
304 H GLU 42 H GLU 42 2.451 13.283 -7.193
305 HA GLU 42 HA GLU 42 1.216 11.881 -9.409
306 HB2 GLU 42 HB2 GLU 42 4.060 11.290 -8.546
307 HB3 GLU 42 HB3 GLU 42 3.052 10.293 -9.617
308 HG2 GLU 42 HG2 GLU 42 2.907 12.170 -11.224
309 HG3 GLU 42 HG3 GLU 42 3.909 13.160 -10.141
310 H GLU 43 H GLU 43 1.538 9.338 -8.609
311 HA GLU 43 HA GLU 43 0.064 9.074 -6.245
312 HB2 GLU 43 HB2 GLU 43 0.070 7.400 -8.081
313 HB3 GLU 43 HB3 GLU 43 1.757 7.003 -7.704
314 HG2 GLU 43 HG2 GLU 43 0.213 5.381 -6.679
315 HG3 GLU 43 HG3 GLU 43 1.093 6.284 -5.435
316 H TRP 44 H TRP 44 3.603 8.746 -6.945
317 HA TRP 44 HA TRP 44 4.319 7.868 -4.340
318 HB2 TRP 44 HB2 TRP 44 6.581 8.282 -4.917
319 HB3 TRP 44 HB3 TRP 44 5.754 7.338 -6.151
320 HD1 TRP 44 HD1 TRP 44 5.319 8.526 -8.522
321 HE1 TRP 44 HE1 TRP 44 6.617 10.347 -9.744
322 HE3 TRP 44 HE3 TRP 44 7.848 10.480 -4.548
323 HZ2 TRP 44 HZ2 TRP 44 8.615 12.345 -9.088
324 HZ3 TRP 44 HZ3 TRP 44 9.470 12.322 -4.874
325 HH2 TRP 44 HH2 TRP 44 9.893 13.211 -7.151
326 H TYR 45 H TYR 45 5.310 8.886 -2.624
327 HA TYR 45 HA TYR 45 4.113 11.420 -2.040
328 HB2 TYR 45 HB2 TYR 45 6.176 9.801 -0.495
329 HB3 TYR 45 HB3 TYR 45 5.365 11.259 0.088
330 HD1 TYR 45 HD1 TYR 45 4.890 7.693 -0.816
331 HD2 TYR 45 HD2 TYR 45 3.056 11.236 0.789
332 HE1 TYR 45 HE1 TYR 45 2.973 6.336 -0.025
333 HE2 TYR 45 HE2 TYR 45 1.130 9.889 1.578
334 HH TYR 45 HH TYR 45 0.949 6.341 1.049
335 HA PRO 46 HA PRO 46 7.300 13.915 -3.825
336 HB2 PRO 46 HB2 PRO 46 5.999 15.961 -2.041
337 HB3 PRO 46 HB3 PRO 46 6.458 16.112 -3.769
338 HG2 PRO 46 HG2 PRO 46 3.876 15.691 -3.102
339 HG3 PRO 46 HG3 PRO 46 4.611 14.748 -4.445
340 HD2 PRO 46 HD2 PRO 46 4.173 13.887 -1.574
341 HD3 PRO 46 HD3 PRO 46 3.842 12.994 -3.094
342 H GLU 47 H GLU 47 6.797 13.935 -0.254
343 HA GLU 47 HA GLU 47 9.387 15.090 0.203
344 HB2 GLU 47 HB2 GLU 47 7.534 15.302 1.886
345 HB3 GLU 47 HB3 GLU 47 7.577 13.545 2.116
346 HG2 GLU 47 HG2 GLU 47 9.956 13.699 2.812
347 HG3 GLU 47 HG3 GLU 47 9.912 15.453 2.566
348 H GLU 48 H GLU 48 11.314 13.864 0.226
349 HA GLU 48 HA GLU 48 10.975 10.957 -0.029
350 HB2 GLU 48 HB2 GLU 48 13.221 12.760 -0.818
351 HB3 GLU 48 HB3 GLU 48 13.403 10.996 -0.682
352 HG2 GLU 48 HG2 GLU 48 11.549 10.737 -2.323
353 HG3 GLU 48 HG3 GLU 48 11.445 12.506 -2.464
354 H LEU 49 H LEU 49 11.616 9.583 1.406
355 HA LEU 49 HA LEU 49 12.122 10.330 4.047
356 HB2 LEU 49 HB2 LEU 49 12.645 7.668 2.665
357 HB3 LEU 49 HB3 LEU 49 12.448 7.935 4.408
358 HG LEU 49 HG LEU 49 10.316 8.430 2.278
359 HD11 LEU 49 1HD1 LEU 49 10.591 6.259 4.396
360 HD12 LEU 49 2HD1 LEU 49 9.214 6.469 3.290
361 HD13 LEU 49 3HD1 LEU 49 10.814 6.041 2.645
362 HD21 LEU 49 3HD2 LEU 49 10.207 8.587 5.322
363 HD22 LEU 49 1HD2 LEU 49 10.050 9.955 4.192
364 HD23 LEU 49 2HD2 LEU 49 8.802 8.694 4.236
365 H LEU 50 H LEU 50 14.398 9.042 1.540
366 HA LEU 50 HA LEU 50 16.609 8.893 3.281
367 HB2 LEU 50 HB2 LEU 50 16.512 9.146 0.269
368 HB3 LEU 50 HB3 LEU 50 17.977 8.835 1.220
369 HG LEU 50 HG LEU 50 15.504 7.049 1.250
370 HD11 LEU 50 1HD1 LEU 50 18.186 6.706 -0.159
371 HD12 LEU 50 2HD1 LEU 50 16.854 5.525 -0.135
372 HD13 LEU 50 3HD1 LEU 50 16.644 7.088 -0.958
373 HD21 LEU 50 3HD2 LEU 50 18.323 6.687 2.354
374 HD22 LEU 50 1HD2 LEU 50 16.831 6.870 3.310
375 HD23 LEU 50 2HD2 LEU 50 17.068 5.427 2.308
376 H THR 51 H THR 51 15.466 11.521 1.091
377 HA THR 51 HA THR 51 17.815 13.091 1.730
378 HB THR 51 HB THR 51 16.771 14.722 0.230
379 HG1 THR 51 HG1 THR 51 14.626 14.096 0.609
380 HG21 THR 51 1HG2 THR 51 16.924 11.888 -0.885
381 HG22 THR 51 2HG2 THR 51 17.084 13.394 -1.815
382 HG23 THR 51 3HG2 THR 51 18.321 12.955 -0.614
383 H ASP 52 H ASP 52 17.588 13.234 4.028
384 HA ASP 52 HA ASP 52 15.267 14.751 4.942
385 HB2 ASP 52 HB2 ASP 52 15.955 12.897 6.380
386 HB3 ASP 52 HB3 ASP 52 17.600 13.553 6.486
387 H GLY 53 H GLY 53 15.395 16.799 4.422
388 HA2 GLY 53 HA2 GLY 53 15.973 18.937 4.792
389 HA3 GLY 53 HA3 GLY 53 17.550 18.426 5.405
390 H GLU 54 H GLU 54 17.596 16.692 2.641
391 HA GLU 54 HA GLU 54 19.199 18.608 1.266
392 HB2 GLU 54 HB2 GLU 54 18.173 15.942 0.296
393 HB3 GLU 54 HB3 GLU 54 19.428 16.935 -0.460
394 HG2 GLU 54 HG2 GLU 54 20.845 16.713 1.532
395 HG3 GLU 54 HG3 GLU 54 19.571 15.804 2.366
396 H ASP 55 H ASP 55 15.888 17.292 0.875
397 HA ASP 55 HA ASP 55 15.272 18.411 -1.600
398 HB2 ASP 55 HB2 ASP 55 13.496 17.788 0.812
399 HB3 ASP 55 HB3 ASP 55 12.884 18.266 -0.780
400 H ASP 56 H ASP 56 14.822 19.534 1.787
401 HA ASP 56 HA ASP 56 14.249 21.443 2.756
402 HB2 ASP 56 HB2 ASP 56 16.483 22.076 1.900
403 HB3 ASP 56 HB3 ASP 56 15.722 22.737 0.443
404 H VAL 57 H VAL 57 12.164 20.258 1.294
405 HA VAL 57 HA VAL 57 10.826 22.536 0.004
406 HB VAL 57 HB VAL 57 10.140 19.574 0.043
407 HG11 VAL 57 1HG1 VAL 57 8.795 21.951 -1.319
408 HG12 VAL 57 2HG1 VAL 57 8.394 20.241 -1.609
409 HG13 VAL 57 3HG1 VAL 57 8.106 20.961 -0.011
410 HG21 VAL 57 3HG2 VAL 57 11.104 21.428 -2.180
411 HG22 VAL 57 1HG2 VAL 57 12.082 20.175 -1.385
412 HG23 VAL 57 2HG2 VAL 57 10.673 19.711 -2.365
413 H PHE 58 H PHE 58 10.408 19.813 2.377
414 HA PHE 58 HA PHE 58 8.017 20.848 3.483
415 HB2 PHE 58 HB2 PHE 58 9.741 18.547 4.168
416 HB3 PHE 58 HB3 PHE 58 8.494 19.150 5.281
417 HD1 PHE 58 HD1 PHE 58 8.969 18.197 1.676
418 HD2 PHE 58 HD2 PHE 58 6.233 18.640 4.963
419 HE1 PHE 58 HE1 PHE 58 7.133 17.304 0.272
420 HE2 PHE 58 HE2 PHE 58 4.405 17.722 3.564
421 HZ PHE 58 HZ PHE 58 4.851 17.063 1.214
422 H ASP 59 H ASP 59 11.379 21.403 4.596
423 HA ASP 59 HA ASP 59 10.492 22.480 7.055
424 HB2 ASP 59 HB2 ASP 59 13.034 23.164 5.576
425 HB3 ASP 59 HB3 ASP 59 12.658 23.496 7.279
426 HA PRO 60 HA PRO 60 10.189 26.765 5.256
427 HB2 PRO 60 HB2 PRO 60 10.229 27.391 2.609
428 HB3 PRO 60 HB3 PRO 60 11.741 27.172 3.567
429 HG2 PRO 60 HG2 PRO 60 10.311 25.119 1.839
430 HG3 PRO 60 HG3 PRO 60 12.051 25.561 1.802
431 HD2 PRO 60 HD2 PRO 60 11.156 23.392 3.193
432 HD3 PRO 60 HD3 PRO 60 12.467 24.422 3.839
433 H ASP 61 H ASP 61 8.520 24.108 3.707
434 HA ASP 61 HA ASP 61 6.420 23.733 3.087
435 HB2 ASP 61 HB2 ASP 61 6.113 24.068 5.525
436 HB3 ASP 61 HB3 ASP 61 5.642 25.747 5.197
437 H LEU 62 H LEU 62 7.711 25.325 1.271
438 HA LEU 62 HA LEU 62 5.646 27.271 0.489
439 HB2 LEU 62 HB2 LEU 62 7.885 28.289 0.693
440 HB3 LEU 62 HB3 LEU 62 8.578 27.015 -0.325
441 HG LEU 62 HG LEU 62 7.136 27.761 -2.219
442 HD11 LEU 62 1HD1 LEU 62 6.395 30.014 -0.300
443 HD12 LEU 62 2HD1 LEU 62 6.012 29.974 -2.038
444 HD13 LEU 62 3HD1 LEU 62 5.288 28.777 -0.946
445 HD21 LEU 62 3HD2 LEU 62 8.840 29.943 -0.952
446 HD22 LEU 62 1HD2 LEU 62 9.440 28.602 -1.957
447 HD23 LEU 62 2HD2 LEU 62 8.381 29.840 -2.670
448 H ASP 63 H ASP 63 4.322 26.491 -1.134
449 HA ASP 63 HA ASP 63 5.447 24.368 -2.843
450 HB2 ASP 63 HB2 ASP 63 3.589 23.496 -1.440
451 HB3 ASP 63 HB3 ASP 63 2.530 24.790 -2.039
452 H MET 64 H MET 64 5.605 25.068 -4.973
453 HA MET 64 HA MET 64 3.964 27.412 -5.700
454 HB2 MET 64 HB2 MET 64 6.693 26.637 -6.762
455 HB3 MET 64 HB3 MET 64 5.662 27.927 -7.421
456 HG2 MET 64 HG2 MET 64 5.750 29.154 -5.348
457 HG3 MET 64 HG3 MET 64 6.557 27.819 -4.518
458 HE1 MET 64 HE1 MET 64 8.785 26.771 -6.247
459 HE2 MET 64 HE2 MET 64 10.149 27.822 -5.799
460 HE3 MET 64 HE3 MET 64 9.004 27.270 -4.554
461 H GLU 65 H GLU 65 2.319 26.721 -6.918
462 HA GLU 65 HA GLU 65 2.206 24.199 -8.157
463 HB2 GLU 65 HB2 GLU 65 0.457 26.590 -8.680
464 HB3 GLU 65 HB3 GLU 65 0.194 24.925 -9.249
465 HG2 GLU 65 HG2 GLU 65 0.193 24.143 -6.880
466 HG3 GLU 65 HG3 GLU 65 0.341 25.829 -6.344
467 H VAL 66 H VAL 66 3.036 27.422 -9.456
468 HA VAL 66 HA VAL 66 2.943 26.734 -12.168
469 HB VAL 66 HB VAL 66 4.646 28.796 -10.747
470 HG11 VAL 66 1HG1 VAL 66 3.805 28.489 -13.662
471 HG12 VAL 66 2HG1 VAL 66 4.655 29.895 -12.977
472 HG13 VAL 66 3HG1 VAL 66 5.457 28.310 -13.022
473 HG21 VAL 66 3HG2 VAL 66 1.898 28.965 -12.058
474 HG22 VAL 66 1HG2 VAL 66 2.234 29.085 -10.315
475 HG23 VAL 66 2HG2 VAL 66 2.826 30.343 -11.420
476 H VAL 67 H VAL 67 5.638 26.528 -9.725
477 HA VAL 67 HA VAL 67 7.621 25.767 -11.568
478 HB VAL 67 HB VAL 67 7.399 25.202 -8.612
479 HG11 VAL 67 1HG1 VAL 67 9.758 25.055 -10.537
480 HG12 VAL 67 2HG1 VAL 67 9.861 24.907 -8.767
481 HG13 VAL 67 3HG1 VAL 67 8.991 23.679 -9.709
482 HG21 VAL 67 3HG2 VAL 67 8.801 27.394 -10.202
483 HG22 VAL 67 1HG2 VAL 67 7.373 27.605 -9.161
484 HG23 VAL 67 2HG2 VAL 67 8.934 27.148 -8.447
485 H PHE 68 H PHE 68 5.426 23.658 -9.470
486 HA PHE 68 HA PHE 68 6.617 21.342 -10.679
487 HB2 PHE 68 HB2 PHE 68 5.368 19.957 -9.543
488 HB3 PHE 68 HB3 PHE 68 5.780 21.241 -8.427
489 HD1 PHE 68 HD1 PHE 68 3.035 19.636 -10.319
490 HD2 PHE 68 HD2 PHE 68 4.085 22.518 -7.312
491 HE1 PHE 68 HE1 PHE 68 0.692 19.668 -9.543
492 HE2 PHE 68 HE2 PHE 68 1.736 22.550 -6.531
493 HZ PHE 68 HZ PHE 68 0.034 21.130 -7.647
494 H GLU 69 H GLU 69 3.691 23.173 -11.581
495 HA GLU 69 HA GLU 69 3.057 21.100 -13.489
496 HB2 GLU 69 HB2 GLU 69 1.765 23.784 -13.136
497 HB3 GLU 69 HB3 GLU 69 1.215 22.470 -14.192
498 HG2 GLU 69 HG2 GLU 69 0.920 21.001 -12.232
499 HG3 GLU 69 HG3 GLU 69 1.532 22.278 -11.165
500 H THR 70 H THR 70 4.989 20.974 -14.526
501 HA THR 70 HA THR 70 6.002 22.942 -16.259
502 HB THR 70 HB THR 70 6.143 19.914 -16.339
503 HG1 THR 70 HG1 THR 70 8.127 20.329 -15.269
504 HG21 THR 70 1HG2 THR 70 7.879 22.075 -17.614
505 HG22 THR 70 2HG2 THR 70 8.218 20.328 -17.637
506 HG23 THR 70 3HG2 THR 70 6.788 20.965 -18.480
507 H GLN 71 H GLN 71 3.523 20.345 -16.454
508 HA GLN 71 HA GLN 71 2.953 20.686 -19.252
509 HB2 GLN 71 HB2 GLN 71 0.759 19.383 -18.435
510 HB3 GLN 71 HB3 GLN 71 2.287 18.604 -18.830
511 HG2 GLN 71 HG2 GLN 71 1.679 17.545 -16.884
512 HG3 GLN 71 HG3 GLN 71 2.869 18.724 -16.329
513 HE21 GLN 71 1HE2 GLN 71 2.200 20.383 -14.930
514 HE22 GLN 71 2HE2 GLN 71 0.592 20.460 -14.249
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 -13.170 -11.214 -14.886
2 H2 GLY 1 H2 GLY 1 -13.003 -10.120 -13.600
3 H3 GLY 1 H3 GLY 1 -11.873 -10.129 -14.865
4 HA2 GLY 1 HA3 GLY 1 -11.195 -11.217 -12.697
5 HA3 GLY 1 HA2 GLY 1 -12.314 -12.510 -13.192
6 H SER 2 H SER 2 -9.285 -12.234 -12.883
7 HA SER 2 HA SER 2 -8.591 -13.328 -15.521
8 HB2 SER 2 HB2 SER 2 -6.346 -12.393 -15.312
9 HB3 SER 2 HB3 SER 2 -7.557 -11.090 -15.332
10 HG SER 2 HG SER 2 -5.992 -10.827 -13.674
11 H THR 3 H THR 3 -6.983 -15.001 -15.440
12 HA THR 3 HA THR 3 -7.118 -16.509 -12.971
13 HB THR 3 HB THR 3 -5.772 -17.194 -15.574
14 HG1 THR 3 HG1 THR 3 -7.651 -18.494 -15.778
15 HG21 THR 3 1HG2 THR 3 -6.512 -18.850 -13.124
16 HG22 THR 3 2HG2 THR 3 -5.811 -19.478 -14.635
17 HG23 THR 3 3HG2 THR 3 -4.863 -18.381 -13.604
18 H ALA 4 H ALA 4 -6.044 -15.013 -11.664
19 HA ALA 4 HA ALA 4 -3.161 -14.715 -12.132
20 HB1 ALA 4 HB1 ALA 4 -5.009 -13.114 -10.302
21 HB2 ALA 4 HB2 ALA 4 -3.255 -12.879 -10.491
22 HB3 ALA 4 HB3 ALA 4 -4.350 -12.543 -11.854
23 H MET 5 H MET 5 -1.853 -15.523 -10.415
24 HA MET 5 HA MET 5 -2.935 -17.613 -8.867
25 HB2 MET 5 HB2 MET 5 -0.797 -17.883 -7.907
26 HB3 MET 5 HB3 MET 5 -0.513 -17.409 -9.599
27 HG2 MET 5 HG2 MET 5 -0.384 -15.550 -7.196
28 HG3 MET 5 HG3 MET 5 1.011 -16.244 -8.057
29 HE1 MET 5 HE1 MET 5 2.072 -13.889 -8.150
30 HE2 MET 5 HE2 MET 5 1.250 -12.454 -8.807
31 HE3 MET 5 HE3 MET 5 0.657 -13.212 -7.310
32 H ALA 6 H ALA 6 -3.812 -17.752 -7.030
33 HA ALA 6 HA ALA 6 -4.894 -17.273 -5.162
34 HB1 ALA 6 HB1 ALA 6 -2.528 -15.461 -4.632
35 HB2 ALA 6 HB2 ALA 6 -3.734 -15.997 -3.438
36 HB3 ALA 6 HB3 ALA 6 -2.661 -17.186 -4.213
37 H THR 7 H THR 7 -5.559 -15.669 -7.586
38 HA THR 7 HA THR 7 -6.785 -13.969 -8.263
39 HB THR 7 HB THR 7 -8.744 -13.442 -7.057
40 HG1 THR 7 HG1 THR 7 -7.820 -13.432 -4.961
41 HG21 THR 7 1HG2 THR 7 -7.985 -16.388 -6.905
42 HG22 THR 7 2HG2 THR 7 -9.641 -15.736 -6.906
43 HG23 THR 7 3HG2 THR 7 -8.610 -15.545 -8.343
44 H THR 8 H THR 8 -4.275 -13.096 -7.553
45 HA THR 8 HA THR 8 -4.430 -10.788 -5.877
46 HB THR 8 HB THR 8 -2.369 -11.597 -7.932
47 HG1 THR 8 HG1 THR 8 -2.687 -13.068 -6.191
48 HG21 THR 8 1HG2 THR 8 -2.262 -9.612 -5.630
49 HG22 THR 8 2HG2 THR 8 -0.898 -10.076 -6.674
50 HG23 THR 8 3HG2 THR 8 -2.287 -9.199 -7.360
51 H MET 9 H MET 9 -4.745 -8.634 -6.463
52 HA MET 9 HA MET 9 -6.190 -8.233 -8.924
53 HB2 MET 9 HB2 MET 9 -6.701 -7.068 -6.682
54 HB3 MET 9 HB3 MET 9 -5.298 -6.038 -7.054
55 HG2 MET 9 HG2 MET 9 -7.311 -4.964 -7.932
56 HG3 MET 9 HG3 MET 9 -6.328 -5.542 -9.298
57 HE1 MET 9 HE1 MET 9 -8.245 -5.340 -11.007
58 HE2 MET 9 HE2 MET 9 -9.892 -5.962 -10.745
59 HE3 MET 9 HE3 MET 9 -9.267 -4.642 -9.728
60 H GLU 10 H GLU 10 -5.370 -7.434 -10.752
61 HA GLU 10 HA GLU 10 -2.597 -7.430 -11.232
62 HB2 GLU 10 HB2 GLU 10 -4.837 -6.375 -12.965
63 HB3 GLU 10 HB3 GLU 10 -3.169 -6.737 -13.469
64 HG2 GLU 10 HG2 GLU 10 -3.506 -9.111 -12.807
65 HG3 GLU 10 HG3 GLU 10 -5.189 -8.734 -12.368
66 H GLN 11 H GLN 11 -4.792 -4.555 -10.782
67 HA GLN 11 HA GLN 11 -2.661 -2.863 -11.725
68 HB2 GLN 11 HB2 GLN 11 -3.816 -0.931 -10.889
69 HB3 GLN 11 HB3 GLN 11 -4.839 -1.924 -11.956
70 HG2 GLN 11 HG2 GLN 11 -5.013 -2.521 -9.045
71 HG3 GLN 11 HG3 GLN 11 -5.669 -0.953 -9.571
72 HE21 GLN 11 1HE2 GLN 11 -7.830 -1.271 -9.435
73 HE22 GLN 11 2HE2 GLN 11 -8.699 -2.519 -10.299
74 H GLU 12 H GLU 12 -1.589 -1.232 -10.664
75 HA GLU 12 HA GLU 12 -0.338 -2.189 -8.260
76 HB2 GLU 12 HB2 GLU 12 0.200 0.339 -9.851
77 HB3 GLU 12 HB3 GLU 12 1.241 -0.405 -8.613
78 HG2 GLU 12 HG2 GLU 12 1.397 -2.434 -10.105
79 HG3 GLU 12 HG3 GLU 12 0.570 -1.483 -11.362
80 H ILE 13 H ILE 13 -1.979 -2.135 -6.775
81 HA ILE 13 HA ILE 13 -3.329 0.340 -6.112
82 HB ILE 13 HB ILE 13 -4.540 -0.927 -4.482
83 HG12 ILE 13 2HG1 ILE 13 -4.428 -3.446 -4.625
84 HG13 ILE 13 3HG1 ILE 13 -2.846 -3.258 -5.418
85 HG21 ILE 13 1HG2 ILE 13 -4.361 -2.201 -7.251
86 HG22 ILE 13 2HG2 ILE 13 -5.749 -2.322 -6.144
87 HG23 ILE 13 3HG2 ILE 13 -5.299 -0.746 -6.839
88 HD11 ILE 13 3HD1 ILE 13 -1.996 -2.069 -3.439
89 HD12 ILE 13 1HD1 ILE 13 -3.578 -2.257 -2.646
90 HD13 ILE 13 2HD1 ILE 13 -2.594 -3.693 -3.023
91 H CYS 14 H CYS 14 -0.288 -0.786 -4.960
92 HA CYS 14 HA CYS 14 -0.650 -0.036 -2.250
93 HB2 CYS 14 HB2 CYS 14 1.299 -1.378 -2.968
94 HB3 CYS 14 HB3 CYS 14 1.970 0.088 -3.724
95 H ALA 15 H ALA 15 -0.085 1.808 -1.164
96 HA ALA 15 HA ALA 15 -1.083 4.186 -2.244
97 HB1 ALA 15 HB1 ALA 15 0.656 3.741 0.212
98 HB2 ALA 15 HB2 ALA 15 -0.277 5.211 -0.160
99 HB3 ALA 15 HB3 ALA 15 -1.121 3.679 0.167
100 H HIS 16 H HIS 16 2.321 3.101 -1.698
101 HA HIS 16 HA HIS 16 3.496 5.563 -2.359
102 HB2 HIS 16 HB2 HIS 16 4.578 2.752 -2.496
103 HB3 HIS 16 HB3 HIS 16 5.532 4.220 -2.811
104 HD2 HIS 16 HD2 HIS 16 6.771 5.256 -0.685
105 HE1 HIS 16 HE1 HIS 16 4.444 3.369 2.307
106 H SER 17 H SER 17 2.581 2.753 -4.495
107 HA SER 17 HA SER 17 2.030 4.112 -6.757
108 HB2 SER 17 HB2 SER 17 3.995 3.852 -8.244
109 HB3 SER 17 HB3 SER 17 4.236 5.103 -7.001
110 HG SER 17 HG SER 17 6.037 3.713 -7.226
111 H MET 18 H MET 18 4.207 1.384 -5.792
112 HA MET 18 HA MET 18 3.294 -0.251 -7.970
113 HB2 MET 18 HB2 MET 18 5.108 -0.990 -5.681
114 HB3 MET 18 HB3 MET 18 4.891 -1.839 -7.231
115 HG2 MET 18 HG2 MET 18 5.743 0.200 -8.397
116 HG3 MET 18 HG3 MET 18 6.089 0.913 -6.803
117 HE1 MET 18 HE1 MET 18 8.556 1.327 -7.599
118 HE2 MET 18 HE2 MET 18 9.619 0.055 -8.245
119 HE3 MET 18 HE3 MET 18 8.189 0.573 -9.167
120 H THR 19 H THR 19 3.207 -2.741 -7.309
121 HA THR 19 HA THR 19 0.480 -3.050 -6.469
122 HB THR 19 HB THR 19 2.623 -5.071 -7.251
123 HG1 THR 19 HG1 THR 19 2.074 -3.531 -8.875
124 HG21 THR 19 1HG2 THR 19 -0.404 -5.325 -7.160
125 HG22 THR 19 2HG2 THR 19 0.736 -6.556 -7.752
126 HG23 THR 19 3HG2 THR 19 0.738 -6.095 -6.033
127 H PHE 20 H PHE 20 -0.061 -4.796 -4.821
128 HA PHE 20 HA PHE 20 0.906 -4.249 -2.277
129 HB2 PHE 20 HB2 PHE 20 -1.365 -5.136 -2.857
130 HB3 PHE 20 HB3 PHE 20 -0.628 -6.633 -3.476
131 HD1 PHE 20 HD2 PHE 20 -1.311 -4.628 -0.432
132 HD2 PHE 20 HD1 PHE 20 0.059 -8.383 -2.013
133 HE1 PHE 20 HE2 PHE 20 -1.439 -5.630 1.833
134 HE2 PHE 20 HE1 PHE 20 -0.067 -9.385 0.251
135 HZ PHE 20 HZ PHE 20 -0.817 -8.007 2.177
136 H GLU 21 H GLU 21 1.573 -6.863 -4.670
137 HA GLU 21 HA GLU 21 3.281 -8.461 -3.118
138 HB2 GLU 21 HB2 GLU 21 2.042 -9.133 -5.204
139 HB3 GLU 21 HB3 GLU 21 3.118 -8.073 -6.142
140 HG2 GLU 21 HG2 GLU 21 5.054 -9.390 -5.507
141 HG3 GLU 21 HG3 GLU 21 4.068 -10.380 -4.405
142 H GLU 22 H GLU 22 3.788 -5.616 -5.232
143 HA GLU 22 HA GLU 22 6.678 -5.716 -5.016
144 HB2 GLU 22 HB2 GLU 22 4.801 -3.863 -6.536
145 HB3 GLU 22 HB3 GLU 22 6.578 -3.843 -6.613
146 HG2 GLU 22 HG2 GLU 22 4.839 -6.214 -7.380
147 HG3 GLU 22 HG3 GLU 22 5.530 -5.041 -8.526
148 H CYS 23 H CYS 23 4.446 -4.814 -2.823
149 HA CYS 23 HA CYS 23 4.881 -2.169 -2.229
150 HB2 CYS 23 HB2 CYS 23 3.123 -3.545 -1.179
151 HB3 CYS 23 HB3 CYS 23 4.377 -4.363 -0.215
152 HG CYS 23 HG CYS 23 3.147 -2.588 1.247
153 HA PRO 24 HA PRO 24 8.573 -3.208 0.588
154 HB2 PRO 24 HB2 PRO 24 10.368 -5.092 -0.194
155 HB3 PRO 24 HB3 PRO 24 9.085 -5.386 1.004
156 HG2 PRO 24 HG2 PRO 24 9.108 -6.041 -1.976
157 HG3 PRO 24 HG3 PRO 24 8.537 -7.055 -0.629
158 HD2 PRO 24 HD2 PRO 24 6.785 -5.614 -2.152
159 HD3 PRO 24 HD3 PRO 24 6.514 -5.868 -0.412
160 H LYS 25 H LYS 25 8.741 -3.612 -2.979
161 HA LYS 25 HA LYS 25 11.179 -2.178 -3.292
162 HB2 LYS 25 HB2 LYS 25 9.008 -2.636 -5.330
163 HB3 LYS 25 HB3 LYS 25 10.643 -1.999 -5.625
164 HG2 LYS 25 HG2 LYS 25 11.571 -4.130 -4.641
165 HG3 LYS 25 HG3 LYS 25 9.909 -4.761 -4.573
166 HD2 LYS 25 HD2 LYS 25 10.970 -5.551 -6.618
167 HD3 LYS 25 HD3 LYS 25 9.716 -4.363 -7.046
168 HE2 LYS 25 HE2 LYS 25 11.766 -3.982 -8.348
169 HE3 LYS 25 HE3 LYS 25 11.452 -2.613 -7.255
170 HZ1 LYS 25 HZ1 LYS 25 13.332 -4.804 -6.758
171 HZ2 LYS 25 HZ2 LYS 25 13.730 -3.275 -7.232
172 HZ3 LYS 25 HZ3 LYS 25 13.046 -3.528 -5.752
173 H CYS 26 H CYS 26 7.860 -1.151 -2.666
174 HA CYS 26 HA CYS 26 7.890 1.369 -3.870
175 HB2 CYS 26 HB2 CYS 26 6.418 0.281 -1.454
176 HB3 CYS 26 HB3 CYS 26 6.154 1.899 -2.148
177 HG CYS 26 HG CYS 26 4.224 0.321 -2.807
178 H SER 27 H SER 27 9.186 0.117 -0.772
179 HA SER 27 HA SER 27 9.614 2.548 0.561
180 HB2 SER 27 HB2 SER 27 11.158 -0.059 0.750
181 HB3 SER 27 HB3 SER 27 11.215 1.288 1.910
182 HG SER 27 HG SER 27 9.745 -0.357 2.533
183 H ALA 28 H ALA 28 11.539 0.706 -1.871
184 HA ALA 28 HA ALA 28 13.912 2.256 -1.609
185 HB1 ALA 28 HB1 ALA 28 12.899 0.657 -3.986
186 HB2 ALA 28 HB2 ALA 28 14.536 1.325 -3.783
187 HB3 ALA 28 HB3 ALA 28 13.956 0.044 -2.692
188 H LEU 29 H LEU 29 14.447 4.161 -2.708
189 HA LEU 29 HA LEU 29 12.227 5.579 -3.950
190 HB2 LEU 29 HB2 LEU 29 14.724 6.322 -2.508
191 HB3 LEU 29 HB3 LEU 29 14.206 7.392 -3.832
192 HG LEU 29 HG LEU 29 11.923 7.481 -2.770
193 HD11 LEU 29 1HD1 LEU 29 13.319 6.101 -0.460
194 HD12 LEU 29 2HD1 LEU 29 11.690 6.816 -0.428
195 HD13 LEU 29 3HD1 LEU 29 12.025 5.411 -1.467
196 HD21 LEU 29 3HD2 LEU 29 14.275 8.382 -1.060
197 HD22 LEU 29 1HD2 LEU 29 13.593 9.265 -2.446
198 HD23 LEU 29 2HD2 LEU 29 12.620 9.029 -0.975
199 H GLN 30 H GLN 30 14.049 3.433 -5.346
200 HA GLN 30 HA GLN 30 15.619 4.647 -7.267
201 HB2 GLN 30 HB2 GLN 30 13.912 2.120 -7.469
202 HB3 GLN 30 HB3 GLN 30 15.226 2.568 -8.579
203 HG2 GLN 30 HG2 GLN 30 16.830 2.535 -6.699
204 HG3 GLN 30 HG3 GLN 30 15.525 2.084 -5.586
205 HE21 GLN 30 2HE2 GLN 30 18.087 0.688 -6.571
206 HE22 GLN 30 1HE2 GLN 30 17.539 -0.896 -7.073
207 H TYR 31 H TYR 31 12.096 3.783 -7.349
208 HA TYR 31 HA TYR 31 11.674 4.603 -10.020
209 HB2 TYR 31 HB2 TYR 31 9.346 4.391 -9.603
210 HB3 TYR 31 HB3 TYR 31 10.209 3.001 -8.938
211 HD1 TYR 31 HD1 TYR 31 8.300 6.061 -8.130
212 HD2 TYR 31 HD2 TYR 31 10.319 2.599 -6.567
213 HE1 TYR 31 HE1 TYR 31 7.263 6.445 -5.910
214 HE2 TYR 31 HE2 TYR 31 9.253 2.948 -4.384
215 HH TYR 31 HH TYR 31 7.846 4.299 -3.117
216 H ARG 32 H ARG 32 11.473 6.426 -6.948
217 HA ARG 32 HA ARG 32 10.223 8.707 -8.039
218 HB2 ARG 32 HB2 ARG 32 12.075 8.502 -5.635
219 HB3 ARG 32 HB3 ARG 32 11.078 9.904 -6.087
220 HG2 ARG 32 HG2 ARG 32 9.050 8.370 -6.005
221 HG3 ARG 32 HG3 ARG 32 10.115 7.131 -5.301
222 HD2 ARG 32 HD2 ARG 32 10.725 8.845 -3.514
223 HD3 ARG 32 HD3 ARG 32 9.433 9.868 -4.161
224 HE ARG 32 HE ARG 32 8.282 7.356 -3.728
225 HH11 ARG 32 2HH1 ARG 32 9.875 9.856 -1.789
226 HH12 ARG 32 1HH1 ARG 32 9.007 9.452 -0.325
227 HH21 ARG 32 2HH2 ARG 32 7.155 6.830 -1.801
228 HH22 ARG 32 1HH2 ARG 32 7.459 7.729 -0.333
229 H ASN 33 H ASN 33 13.652 7.714 -7.634
230 HA ASN 33 HA ASN 33 14.797 10.184 -8.387
231 HB2 ASN 33 HB2 ASN 33 15.929 7.361 -8.479
232 HB3 ASN 33 HB3 ASN 33 16.862 8.852 -8.725
233 HD21 ASN 33 1HD2 ASN 33 16.944 6.688 -6.574
234 HD22 ASN 33 2HD2 ASN 33 16.831 7.568 -5.066
235 H GLY 34 H GLY 34 15.857 10.783 -10.312
236 HA2 GLY 34 HA2 GLY 34 16.401 10.578 -12.538
237 HA3 GLY 34 HA3 GLY 34 15.300 9.201 -12.696
238 H PHE 35 H PHE 35 13.538 11.484 -10.942
239 HA PHE 35 HA PHE 35 12.242 12.462 -13.366
240 HB2 PHE 35 HB2 PHE 35 11.222 12.180 -10.562
241 HB3 PHE 35 HB3 PHE 35 10.459 13.227 -11.777
242 HD1 PHE 35 HD1 PHE 35 11.470 9.688 -11.095
243 HD2 PHE 35 HD2 PHE 35 9.220 12.364 -13.600
244 HE1 PHE 35 HE1 PHE 35 10.410 7.751 -12.223
245 HE2 PHE 35 HE2 PHE 35 8.170 10.423 -14.728
246 HZ PHE 35 HZ PHE 35 8.766 8.115 -14.038
247 H TYR 36 H TYR 36 11.914 14.520 -13.829
248 HA TYR 36 HA TYR 36 13.954 16.321 -13.233
249 HB2 TYR 36 HB2 TYR 36 12.750 16.257 -15.353
250 HB3 TYR 36 HB3 TYR 36 11.216 16.582 -14.540
251 HD1 TYR 36 HD1 TYR 36 14.639 18.162 -14.541
252 HD2 TYR 36 HD2 TYR 36 10.387 18.694 -14.918
253 HE1 TYR 36 HE1 TYR 36 14.975 20.599 -14.858
254 HE2 TYR 36 HE2 TYR 36 10.711 21.129 -15.238
255 HH TYR 36 HH TYR 36 13.971 22.631 -15.215
256 H LEU 37 H LEU 37 10.521 16.348 -11.930
257 HA LEU 37 HA LEU 37 11.651 18.154 -9.880
258 HB2 LEU 37 HB2 LEU 37 8.921 18.435 -11.147
259 HB3 LEU 37 HB3 LEU 37 9.473 19.294 -9.700
260 HG LEU 37 HG LEU 37 10.822 19.476 -12.425
261 HD11 LEU 37 1HD1 LEU 37 8.948 21.428 -11.030
262 HD12 LEU 37 2HD1 LEU 37 9.751 21.680 -12.596
263 HD13 LEU 37 3HD1 LEU 37 8.514 20.414 -12.428
264 HD21 LEU 37 3HD2 LEU 37 11.119 21.110 -9.864
265 HD22 LEU 37 1HD2 LEU 37 12.328 19.991 -10.536
266 HD23 LEU 37 2HD2 LEU 37 11.911 21.472 -11.416
267 H LEU 38 H LEU 38 11.453 17.435 -7.910
268 HA LEU 38 HA LEU 38 10.065 15.051 -7.252
269 HB2 LEU 38 HB2 LEU 38 11.327 17.185 -5.513
270 HB3 LEU 38 HB3 LEU 38 10.653 15.659 -4.922
271 HG LEU 38 HG LEU 38 12.955 15.901 -6.903
272 HD11 LEU 38 1HD1 LEU 38 12.878 15.138 -3.949
273 HD12 LEU 38 2HD1 LEU 38 14.319 15.110 -4.992
274 HD13 LEU 38 3HD1 LEU 38 13.526 16.656 -4.614
275 HD21 LEU 38 3HD2 LEU 38 11.723 13.496 -5.480
276 HD22 LEU 38 1HD2 LEU 38 11.689 13.813 -7.232
277 HD23 LEU 38 2HD2 LEU 38 13.228 13.463 -6.425
278 H LYS 39 H LYS 39 9.447 18.533 -6.889
279 HA LYS 39 HA LYS 39 7.230 18.465 -5.203
280 HB2 LYS 39 HB2 LYS 39 7.965 20.454 -7.387
281 HB3 LYS 39 HB3 LYS 39 6.744 20.710 -6.131
282 HG2 LYS 39 HG2 LYS 39 8.490 20.544 -4.386
283 HG3 LYS 39 HG3 LYS 39 9.724 20.304 -5.653
284 HD2 LYS 39 HD2 LYS 39 9.116 22.482 -6.662
285 HD3 LYS 39 HD3 LYS 39 7.869 22.718 -5.419
286 HE2 LYS 39 HE2 LYS 39 9.608 22.677 -3.663
287 HE3 LYS 39 HE3 LYS 39 10.857 22.444 -4.905
288 HZ1 LYS 39 HZ1 LYS 39 10.218 24.540 -5.850
289 HZ2 LYS 39 HZ2 LYS 39 10.654 24.731 -4.271
290 HZ3 LYS 39 HZ3 LYS 39 9.061 24.758 -4.696
291 H TYR 40 H TYR 40 7.457 17.700 -8.678
292 HA TYR 40 HA TYR 40 4.849 18.416 -9.438
293 HB2 TYR 40 HB2 TYR 40 6.713 18.045 -11.000
294 HB3 TYR 40 HB3 TYR 40 6.717 16.325 -10.587
295 HD1 TYR 40 HD1 TYR 40 4.337 18.998 -11.720
296 HD2 TYR 40 HD2 TYR 40 5.530 14.877 -11.979
297 HE1 TYR 40 HE1 TYR 40 2.612 18.618 -13.458
298 HE2 TYR 40 HE2 TYR 40 3.832 14.491 -13.743
299 HH TYR 40 HH TYR 40 1.669 17.111 -14.906
300 H ASP 41 H ASP 41 2.930 17.488 -9.345
301 HA ASP 41 HA ASP 41 2.606 15.394 -7.406
302 HB2 ASP 41 HB2 ASP 41 1.100 17.368 -7.515
303 HB3 ASP 41 HB3 ASP 41 0.513 16.801 -9.089
304 H GLU 42 H GLU 42 2.527 13.473 -7.606
305 HA GLU 42 HA GLU 42 1.565 12.012 -9.910
306 HB2 GLU 42 HB2 GLU 42 4.329 11.638 -8.684
307 HB3 GLU 42 HB3 GLU 42 3.505 10.404 -9.657
308 HG2 GLU 42 HG2 GLU 42 4.141 13.219 -10.625
309 HG3 GLU 42 HG3 GLU 42 5.106 11.774 -10.984
310 H GLU 43 H GLU 43 1.684 9.536 -9.079
311 HA GLU 43 HA GLU 43 0.055 9.304 -6.812
312 HB2 GLU 43 HB2 GLU 43 1.753 7.185 -8.164
313 HB3 GLU 43 HB3 GLU 43 0.430 6.902 -7.014
314 HG2 GLU 43 HG2 GLU 43 -1.139 8.040 -8.584
315 HG3 GLU 43 HG3 GLU 43 0.186 8.218 -9.751
316 H TRP 44 H TRP 44 3.632 8.908 -7.281
317 HA TRP 44 HA TRP 44 4.073 7.970 -4.628
318 HB2 TRP 44 HB2 TRP 44 6.402 8.351 -4.956
319 HB3 TRP 44 HB3 TRP 44 5.660 7.439 -6.275
320 HD1 TRP 44 HD1 TRP 44 7.162 10.908 -5.588
321 HE1 TRP 44 HE1 TRP 44 8.003 11.875 -7.794
322 HE3 TRP 44 HE3 TRP 44 5.396 7.303 -8.744
323 HZ2 TRP 44 HZ2 TRP 44 7.920 11.158 -10.613
324 HZ3 TRP 44 HZ3 TRP 44 5.784 7.471 -11.177
325 HH2 TRP 44 HH2 TRP 44 7.029 9.391 -12.121
326 H TYR 45 H TYR 45 5.271 8.974 -2.975
327 HA TYR 45 HA TYR 45 4.142 11.501 -2.291
328 HB2 TYR 45 HB2 TYR 45 6.338 9.867 -0.939
329 HB3 TYR 45 HB3 TYR 45 5.547 11.293 -0.256
330 HD1 TYR 45 HD1 TYR 45 5.061 7.748 -1.245
331 HD2 TYR 45 HD2 TYR 45 3.337 11.180 0.690
332 HE1 TYR 45 HE1 TYR 45 3.270 6.313 -0.310
333 HE2 TYR 45 HE2 TYR 45 1.536 9.755 1.625
334 HH TYR 45 HH TYR 45 1.375 6.226 0.975
335 HA PRO 46 HA PRO 46 7.362 13.922 -4.216
336 HB2 PRO 46 HB2 PRO 46 6.141 16.018 -2.432
337 HB3 PRO 46 HB3 PRO 46 6.538 16.132 -4.178
338 HG2 PRO 46 HG2 PRO 46 3.973 15.778 -3.401
339 HG3 PRO 46 HG3 PRO 46 4.633 14.809 -4.765
340 HD2 PRO 46 HD2 PRO 46 4.303 13.979 -1.869
341 HD3 PRO 46 HD3 PRO 46 3.873 13.085 -3.364
342 H GLU 47 H GLU 47 6.786 13.875 -0.677
343 HA GLU 47 HA GLU 47 9.332 15.029 -0.050
344 HB2 GLU 47 HB2 GLU 47 7.400 15.112 1.551
345 HB3 GLU 47 HB3 GLU 47 7.477 13.346 1.695
346 HG2 GLU 47 HG2 GLU 47 9.812 13.513 2.513
347 HG3 GLU 47 HG3 GLU 47 9.748 15.276 2.340
348 H GLU 48 H GLU 48 11.261 13.874 0.002
349 HA GLU 48 HA GLU 48 11.066 10.988 -0.454
350 HB2 GLU 48 HB2 GLU 48 13.261 12.972 -0.859
351 HB3 GLU 48 HB3 GLU 48 13.560 11.214 -0.876
352 HG2 GLU 48 HG2 GLU 48 11.880 11.040 -2.726
353 HG3 GLU 48 HG3 GLU 48 11.723 12.811 -2.712
354 H LEU 49 H LEU 49 11.594 9.563 0.998
355 HA LEU 49 HA LEU 49 11.974 10.185 3.696
356 HB2 LEU 49 HB2 LEU 49 12.570 7.594 2.205
357 HB3 LEU 49 HB3 LEU 49 12.285 7.769 3.947
358 HG LEU 49 HG LEU 49 10.260 8.371 1.740
359 HD11 LEU 49 1HD1 LEU 49 10.440 6.085 3.744
360 HD12 LEU 49 2HD1 LEU 49 9.119 6.354 2.581
361 HD13 LEU 49 3HD1 LEU 49 10.754 5.967 1.996
362 HD21 LEU 49 3HD2 LEU 49 9.993 8.356 4.778
363 HD22 LEU 49 1HD2 LEU 49 9.890 9.786 3.721
364 HD23 LEU 49 2HD2 LEU 49 8.646 8.524 3.627
365 H LEU 50 H LEU 50 14.309 9.023 1.185
366 HA LEU 50 HA LEU 50 16.492 8.721 2.927
367 HB2 LEU 50 HB2 LEU 50 16.468 9.272 -0.057
368 HB3 LEU 50 HB3 LEU 50 17.861 8.720 0.893
369 HG LEU 50 HG LEU 50 15.238 7.195 0.572
370 HD11 LEU 50 1HD1 LEU 50 17.997 6.733 -0.639
371 HD12 LEU 50 2HD1 LEU 50 16.573 5.685 -0.847
372 HD13 LEU 50 3HD1 LEU 50 16.569 7.334 -1.513
373 HD21 LEU 50 3HD2 LEU 50 17.891 6.431 1.868
374 HD22 LEU 50 1HD2 LEU 50 16.339 6.672 2.706
375 HD23 LEU 50 2HD2 LEU 50 16.534 5.319 1.576
376 H THR 51 H THR 51 15.431 11.537 0.915
377 HA THR 51 HA THR 51 17.773 13.010 1.782
378 HB THR 51 HB THR 51 16.714 14.800 0.412
379 HG1 THR 51 HG1 THR 51 15.141 14.083 -1.025
380 HG21 THR 51 1HG2 THR 51 17.292 12.128 -0.947
381 HG22 THR 51 2HG2 THR 51 17.367 13.728 -1.724
382 HG23 THR 51 3HG2 THR 51 18.527 13.306 -0.442
383 H ASP 52 H ASP 52 17.448 13.034 4.056
384 HA ASP 52 HA ASP 52 15.044 14.424 4.948
385 HB2 ASP 52 HB2 ASP 52 15.739 12.493 6.286
386 HB3 ASP 52 HB3 ASP 52 17.353 13.196 6.511
387 H GLY 53 H GLY 53 15.144 16.512 4.534
388 HA2 GLY 53 HA2 GLY 53 15.654 18.642 5.033
389 HA3 GLY 53 HA3 GLY 53 17.212 18.135 5.695
390 H GLU 54 H GLU 54 17.404 16.546 2.845
391 HA GLU 54 HA GLU 54 19.053 18.534 1.645
392 HB2 GLU 54 HB2 GLU 54 18.047 15.971 0.405
393 HB3 GLU 54 HB3 GLU 54 19.398 16.964 -0.116
394 HG2 GLU 54 HG2 GLU 54 20.546 16.550 2.045
395 HG3 GLU 54 HG3 GLU 54 19.203 15.505 2.550
396 H ASP 55 H ASP 55 15.764 17.231 0.965
397 HA ASP 55 HA ASP 55 15.312 18.562 -1.453
398 HB2 ASP 55 HB2 ASP 55 13.344 17.693 0.708
399 HB3 ASP 55 HB3 ASP 55 12.883 18.313 -0.885
400 H ASP 56 H ASP 56 14.615 19.363 1.964
401 HA ASP 56 HA ASP 56 13.978 21.155 3.088
402 HB2 ASP 56 HB2 ASP 56 16.249 21.881 2.423
403 HB3 ASP 56 HB3 ASP 56 15.550 22.708 1.021
404 H VAL 57 H VAL 57 11.990 20.120 1.369
405 HA VAL 57 HA VAL 57 10.694 22.534 0.314
406 HB VAL 57 HB VAL 57 9.955 19.604 0.015
407 HG11 VAL 57 1HG1 VAL 57 8.737 22.142 -1.162
408 HG12 VAL 57 2HG1 VAL 57 8.290 20.480 -1.610
409 HG13 VAL 57 3HG1 VAL 57 7.969 21.071 0.034
410 HG21 VAL 57 3HG2 VAL 57 11.068 21.644 -1.961
411 HG22 VAL 57 1HG2 VAL 57 11.968 20.277 -1.268
412 HG23 VAL 57 2HG2 VAL 57 10.587 19.976 -2.347
413 H PHE 58 H PHE 58 10.342 19.618 2.437
414 HA PHE 58 HA PHE 58 7.881 20.409 3.595
415 HB2 PHE 58 HB2 PHE 58 9.695 18.133 4.024
416 HB3 PHE 58 HB3 PHE 58 8.449 18.567 5.222
417 HD1 PHE 58 HD1 PHE 58 8.921 17.983 1.544
418 HD2 PHE 58 HD2 PHE 58 6.164 18.152 4.839
419 HE1 PHE 58 HE1 PHE 58 7.082 17.269 0.044
420 HE2 PHE 58 HE2 PHE 58 4.329 17.420 3.341
421 HZ PHE 58 HZ PHE 58 4.786 16.985 0.941
422 H ASP 59 H ASP 59 11.187 21.123 4.775
423 HA ASP 59 HA ASP 59 10.207 21.944 7.301
424 HB2 ASP 59 HB2 ASP 59 12.697 22.924 5.878
425 HB3 ASP 59 HB3 ASP 59 12.262 23.191 7.573
426 HA PRO 60 HA PRO 60 9.574 26.315 5.540
427 HB2 PRO 60 HB2 PRO 60 9.361 25.950 2.576
428 HB3 PRO 60 HB3 PRO 60 10.112 27.303 3.490
429 HG2 PRO 60 HG2 PRO 60 11.656 25.426 2.258
430 HG3 PRO 60 HG3 PRO 60 12.081 26.036 3.892
431 HD2 PRO 60 HD2 PRO 60 10.670 23.464 3.171
432 HD3 PRO 60 HD3 PRO 60 12.000 23.732 4.321
433 H ASP 61 H ASP 61 8.135 23.521 3.899
434 HA ASP 61 HA ASP 61 6.088 22.841 3.437
435 HB2 ASP 61 HB2 ASP 61 5.908 22.998 5.917
436 HB3 ASP 61 HB3 ASP 61 5.151 24.592 5.716
437 H LEU 62 H LEU 62 7.053 24.777 1.720
438 HA LEU 62 HA LEU 62 4.632 26.343 1.130
439 HB2 LEU 62 HB2 LEU 62 7.463 26.824 0.121
440 HB3 LEU 62 HB3 LEU 62 6.026 27.794 -0.250
441 HG LEU 62 HG LEU 62 7.265 27.421 2.512
442 HD11 LEU 62 1HD1 LEU 62 7.240 29.804 0.615
443 HD12 LEU 62 2HD1 LEU 62 7.921 29.787 2.259
444 HD13 LEU 62 3HD1 LEU 62 8.647 28.779 0.987
445 HD21 LEU 62 3HD2 LEU 62 4.967 29.181 1.551
446 HD22 LEU 62 1HD2 LEU 62 4.836 27.792 2.657
447 HD23 LEU 62 2HD2 LEU 62 5.707 29.250 3.168
448 H ASP 63 H ASP 63 3.577 25.688 -0.710
449 HA ASP 63 HA ASP 63 5.004 23.808 -2.473
450 HB2 ASP 63 HB2 ASP 63 2.004 24.218 -2.127
451 HB3 ASP 63 HB3 ASP 63 2.781 23.120 -3.289
452 H MET 64 H MET 64 5.592 24.757 -4.415
453 HA MET 64 HA MET 64 4.240 27.275 -5.133
454 HB2 MET 64 HB2 MET 64 6.987 26.257 -5.959
455 HB3 MET 64 HB3 MET 64 6.224 27.771 -6.492
456 HG2 MET 64 HG2 MET 64 6.153 28.561 -4.160
457 HG3 MET 64 HG3 MET 64 6.848 27.032 -3.608
458 HE1 MET 64 HE1 MET 64 7.418 30.379 -5.516
459 HE2 MET 64 HE2 MET 64 9.091 30.223 -6.104
460 HE3 MET 64 HE3 MET 64 7.809 29.200 -6.791
461 H GLU 65 H GLU 65 2.666 26.776 -6.508
462 HA GLU 65 HA GLU 65 2.456 24.436 -8.034
463 HB2 GLU 65 HB2 GLU 65 0.982 27.068 -8.272
464 HB3 GLU 65 HB3 GLU 65 0.556 25.550 -9.095
465 HG2 GLU 65 HG2 GLU 65 0.352 24.425 -6.887
466 HG3 GLU 65 HG3 GLU 65 0.703 25.968 -6.080
467 H VAL 66 H VAL 66 3.587 27.712 -8.894
468 HA VAL 66 HA VAL 66 3.644 27.364 -11.667
469 HB VAL 66 HB VAL 66 5.360 29.113 -9.876
470 HG11 VAL 66 1HG1 VAL 66 4.722 29.240 -12.856
471 HG12 VAL 66 2HG1 VAL 66 5.601 30.484 -11.936
472 HG13 VAL 66 3HG1 VAL 66 6.309 28.868 -12.137
473 HG21 VAL 66 3HG2 VAL 66 2.734 29.638 -11.338
474 HG22 VAL 66 1HG2 VAL 66 2.941 29.510 -9.574
475 HG23 VAL 66 2HG2 VAL 66 3.690 30.855 -10.459
476 H VAL 67 H VAL 67 6.150 26.695 -9.103
477 HA VAL 67 HA VAL 67 8.218 26.069 -10.910
478 HB VAL 67 HB VAL 67 7.774 25.145 -8.069
479 HG11 VAL 67 1HG1 VAL 67 10.255 25.105 -9.837
480 HG12 VAL 67 2HG1 VAL 67 10.219 24.728 -8.097
481 HG13 VAL 67 3HG1 VAL 67 9.361 23.683 -9.248
482 HG21 VAL 67 3HG2 VAL 67 9.412 27.428 -9.247
483 HG22 VAL 67 1HG2 VAL 67 7.903 27.598 -8.320
484 HG23 VAL 67 2HG2 VAL 67 9.360 26.959 -7.531
485 H PHE 68 H PHE 68 5.809 23.868 -9.199
486 HA PHE 68 HA PHE 68 6.940 21.628 -10.604
487 HB2 PHE 68 HB2 PHE 68 5.558 20.195 -9.691
488 HB3 PHE 68 HB3 PHE 68 6.103 21.280 -8.428
489 HD1 PHE 68 HD1 PHE 68 3.194 20.241 -10.470
490 HD2 PHE 68 HD2 PHE 68 4.571 22.512 -7.092
491 HE1 PHE 68 HE1 PHE 68 0.868 20.410 -9.636
492 HE2 PHE 68 HE2 PHE 68 2.242 22.687 -6.260
493 HZ PHE 68 HZ PHE 68 0.389 21.635 -7.531
494 H GLU 69 H GLU 69 4.185 23.676 -11.471
495 HA GLU 69 HA GLU 69 3.543 21.793 -13.569
496 HB2 GLU 69 HB2 GLU 69 2.427 24.541 -13.017
497 HB3 GLU 69 HB3 GLU 69 1.801 23.356 -14.184
498 HG2 GLU 69 HG2 GLU 69 1.300 21.786 -12.373
499 HG3 GLU 69 HG3 GLU 69 2.036 22.871 -11.182
500 H THR 70 H THR 70 5.553 21.677 -14.555
501 HA THR 70 HA THR 70 6.848 23.793 -15.869
502 HB THR 70 HB THR 70 6.759 20.826 -16.491
503 HG1 THR 70 HG1 THR 70 8.652 20.844 -15.200
504 HG21 THR 70 1HG2 THR 70 8.781 23.003 -17.181
505 HG22 THR 70 2HG2 THR 70 8.987 21.265 -17.498
506 HG23 THR 70 3HG2 THR 70 7.706 22.173 -18.331
507 H GLN 71 H GLN 71 4.257 21.453 -16.770
508 HA GLN 71 HA GLN 71 4.021 22.498 -19.459
509 HB2 GLN 71 HB2 GLN 71 2.195 20.900 -19.712
510 HB3 GLN 71 HB3 GLN 71 3.693 20.111 -19.207
511 HG2 GLN 71 HG2 GLN 71 1.441 20.841 -17.292
512 HG3 GLN 71 HG3 GLN 71 1.602 19.271 -18.087
513 HE21 GLN 71 1HE2 GLN 71 2.288 20.929 -15.274
514 HE22 GLN 71 2HE2 GLN 71 3.596 19.935 -14.674
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 -13.304 -10.919 -14.777
2 H2 GLY 1 H2 GLY 1 -13.112 -9.809 -13.508
3 H3 GLY 1 H3 GLY 1 -11.979 -9.869 -14.768
4 HA2 GLY 1 HA3 GLY 1 -11.338 -10.939 -12.581
5 HA3 GLY 1 HA2 GLY 1 -12.490 -12.210 -13.059
6 H SER 2 H SER 2 -9.456 -12.011 -12.742
7 HA SER 2 HA SER 2 -8.782 -13.165 -15.359
8 HB2 SER 2 HB2 SER 2 -6.513 -12.287 -15.156
9 HB3 SER 2 HB3 SER 2 -7.689 -10.952 -15.202
10 HG SER 2 HG SER 2 -6.123 -10.705 -13.541
11 H THR 3 H THR 3 -7.219 -14.879 -15.246
12 HA THR 3 HA THR 3 -7.404 -16.343 -12.753
13 HB THR 3 HB THR 3 -6.067 -17.105 -15.339
14 HG1 THR 3 HG1 THR 3 -7.980 -18.358 -15.530
15 HG21 THR 3 1HG2 THR 3 -6.861 -18.701 -12.866
16 HG22 THR 3 2HG2 THR 3 -6.171 -19.372 -14.364
17 HG23 THR 3 3HG2 THR 3 -5.197 -18.285 -13.346
18 H ALA 4 H ALA 4 -6.295 -14.855 -11.465
19 HA ALA 4 HA ALA 4 -3.404 -14.642 -11.926
20 HB1 ALA 4 HB1 ALA 4 -5.215 -12.963 -10.130
21 HB2 ALA 4 HB2 ALA 4 -3.455 -12.778 -10.315
22 HB3 ALA 4 HB3 ALA 4 -4.535 -12.435 -11.687
23 H MET 5 H MET 5 -2.124 -15.458 -10.191
24 HA MET 5 HA MET 5 -3.268 -17.492 -8.614
25 HB2 MET 5 HB2 MET 5 -1.141 -17.804 -7.641
26 HB3 MET 5 HB3 MET 5 -0.839 -17.366 -9.339
27 HG2 MET 5 HG2 MET 5 -0.668 -15.472 -6.966
28 HG3 MET 5 HG3 MET 5 0.711 -16.217 -7.810
29 HE1 MET 5 HE1 MET 5 1.835 -13.893 -7.936
30 HE2 MET 5 HE2 MET 5 1.054 -12.447 -8.619
31 HE3 MET 5 HE3 MET 5 0.435 -13.164 -7.113
32 H ALA 6 H ALA 6 -4.155 -17.578 -6.779
33 HA ALA 6 HA ALA 6 -5.230 -17.040 -4.924
34 HB1 ALA 6 HB1 ALA 6 -2.819 -15.285 -4.412
35 HB2 ALA 6 HB2 ALA 6 -4.043 -15.768 -3.215
36 HB3 ALA 6 HB3 ALA 6 -2.999 -16.998 -3.967
37 H THR 7 H THR 7 -5.843 -15.459 -7.375
38 HA THR 7 HA THR 7 -7.020 -13.737 -8.085
39 HB THR 7 HB THR 7 -8.969 -13.139 -6.895
40 HG1 THR 7 HG1 THR 7 -8.053 -13.120 -4.796
41 HG21 THR 7 1HG2 THR 7 -8.290 -16.101 -6.693
42 HG22 THR 7 2HG2 THR 7 -9.928 -15.405 -6.711
43 HG23 THR 7 3HG2 THR 7 -8.887 -15.265 -8.147
44 H THR 8 H THR 8 -4.491 -12.921 -7.378
45 HA THR 8 HA THR 8 -4.589 -10.583 -5.740
46 HB THR 8 HB THR 8 -2.543 -11.479 -7.773
47 HG1 THR 8 HG1 THR 8 -2.907 -12.914 -6.011
48 HG21 THR 8 1HG2 THR 8 -2.392 -9.461 -5.502
49 HG22 THR 8 2HG2 THR 8 -1.037 -9.978 -6.534
50 HG23 THR 8 3HG2 THR 8 -2.399 -9.076 -7.239
51 H MET 9 H MET 9 -4.845 -8.431 -6.362
52 HA MET 9 HA MET 9 -6.269 -8.031 -8.834
53 HB2 MET 9 HB2 MET 9 -6.757 -6.816 -6.614
54 HB3 MET 9 HB3 MET 9 -5.325 -5.831 -6.996
55 HG2 MET 9 HG2 MET 9 -7.305 -4.718 -7.900
56 HG3 MET 9 HG3 MET 9 -6.333 -5.343 -9.253
57 HE1 MET 9 HE1 MET 9 -8.238 -5.117 -10.973
58 HE2 MET 9 HE2 MET 9 -9.902 -5.691 -10.708
59 HE3 MET 9 HE3 MET 9 -9.245 -4.372 -9.709
60 H GLU 10 H GLU 10 -5.421 -7.283 -10.672
61 HA GLU 10 HA GLU 10 -2.647 -7.361 -11.141
62 HB2 GLU 10 HB2 GLU 10 -4.851 -6.275 -12.900
63 HB3 GLU 10 HB3 GLU 10 -3.192 -6.689 -13.390
64 HG2 GLU 10 HG2 GLU 10 -3.595 -9.043 -12.692
65 HG3 GLU 10 HG3 GLU 10 -5.269 -8.614 -12.267
66 H GLN 11 H GLN 11 -4.765 -4.422 -10.746
67 HA GLN 11 HA GLN 11 -2.586 -2.803 -11.707
68 HB2 GLN 11 HB2 GLN 11 -3.692 -0.828 -10.907
69 HB3 GLN 11 HB3 GLN 11 -4.737 -1.809 -11.961
70 HG2 GLN 11 HG2 GLN 11 -4.938 -2.355 -9.042
71 HG3 GLN 11 HG3 GLN 11 -5.550 -0.778 -9.596
72 HE21 GLN 11 1HE2 GLN 11 -7.719 -1.036 -9.464
73 HE22 GLN 11 2HE2 GLN 11 -8.619 -2.274 -10.312
74 H GLU 12 H GLU 12 -1.475 -1.185 -10.667
75 HA GLU 12 HA GLU 12 -0.259 -2.136 -8.243
76 HB2 GLU 12 HB2 GLU 12 0.352 0.351 -9.872
77 HB3 GLU 12 HB3 GLU 12 1.368 -0.401 -8.618
78 HG2 GLU 12 HG2 GLU 12 1.476 -2.457 -10.077
79 HG3 GLU 12 HG3 GLU 12 0.679 -1.504 -11.352
80 H ILE 13 H ILE 13 -1.903 -2.014 -6.766
81 HA ILE 13 HA ILE 13 -3.189 0.507 -6.148
82 HB ILE 13 HB ILE 13 -4.440 -0.701 -4.503
83 HG12 ILE 13 2HG1 ILE 13 -4.395 -3.224 -4.606
84 HG13 ILE 13 3HG1 ILE 13 -2.806 -3.091 -5.395
85 HG21 ILE 13 1HG2 ILE 13 -4.285 -2.024 -7.250
86 HG22 ILE 13 2HG2 ILE 13 -5.679 -2.090 -6.148
87 HG23 ILE 13 3HG2 ILE 13 -5.184 -0.538 -6.866
88 HD11 ILE 13 3HD1 ILE 13 -1.931 -1.894 -3.432
89 HD12 ILE 13 1HD1 ILE 13 -3.521 -2.027 -2.643
90 HD13 ILE 13 2HD1 ILE 13 -2.575 -3.494 -2.992
91 H CYS 14 H CYS 14 -0.184 -0.682 -4.966
92 HA CYS 14 HA CYS 14 -0.535 0.121 -2.270
93 HB2 CYS 14 HB2 CYS 14 1.380 -1.284 -2.958
94 HB3 CYS 14 HB3 CYS 14 2.093 0.151 -3.734
95 H ALA 15 H ALA 15 0.074 1.967 -1.211
96 HA ALA 15 HA ALA 15 -0.855 4.353 -2.333
97 HB1 ALA 15 HB1 ALA 15 0.863 3.901 0.137
98 HB2 ALA 15 HB2 ALA 15 -0.029 5.389 -0.262
99 HB3 ALA 15 HB3 ALA 15 -0.916 3.886 0.085
100 H HIS 16 H HIS 16 2.516 3.186 -1.756
101 HA HIS 16 HA HIS 16 3.760 5.605 -2.451
102 HB2 HIS 16 HB2 HIS 16 4.766 2.764 -2.538
103 HB3 HIS 16 HB3 HIS 16 5.761 4.200 -2.873
104 HD2 HIS 16 HD2 HIS 16 7.019 5.236 -0.758
105 HE1 HIS 16 HE1 HIS 16 4.631 3.461 2.254
106 H SER 17 H SER 17 2.778 2.785 -4.546
107 HA SER 17 HA SER 17 2.272 4.122 -6.832
108 HB2 SER 17 HB2 SER 17 4.234 3.787 -8.305
109 HB3 SER 17 HB3 SER 17 4.505 5.050 -7.081
110 HG SER 17 HG SER 17 6.268 3.609 -7.277
111 H MET 18 H MET 18 4.371 1.353 -5.814
112 HA MET 18 HA MET 18 3.422 -0.291 -7.969
113 HB2 MET 18 HB2 MET 18 5.207 -1.042 -5.661
114 HB3 MET 18 HB3 MET 18 4.974 -1.910 -7.198
115 HG2 MET 18 HG2 MET 18 5.884 0.087 -8.393
116 HG3 MET 18 HG3 MET 18 6.243 0.815 -6.809
117 HE1 MET 18 HE1 MET 18 8.723 1.150 -7.601
118 HE2 MET 18 HE2 MET 18 9.755 -0.160 -8.223
119 HE3 MET 18 HE3 MET 18 8.342 0.382 -9.159
120 H THR 19 H THR 19 3.267 -2.768 -7.269
121 HA THR 19 HA THR 19 0.529 -2.990 -6.436
122 HB THR 19 HB THR 19 2.620 -5.080 -7.176
123 HG1 THR 19 HG1 THR 19 2.118 -3.552 -8.826
124 HG21 THR 19 1HG2 THR 19 -0.414 -5.251 -7.093
125 HG22 THR 19 2HG2 THR 19 0.695 -6.522 -7.661
126 HG23 THR 19 3HG2 THR 19 0.703 -6.033 -5.950
127 H PHE 20 H PHE 20 -0.065 -4.694 -4.762
128 HA PHE 20 HA PHE 20 0.907 -4.132 -2.222
129 HB2 PHE 20 HB2 PHE 20 -1.385 -4.967 -2.798
130 HB3 PHE 20 HB3 PHE 20 -0.686 -6.493 -3.390
131 HD1 PHE 20 HD2 PHE 20 -1.327 -4.422 -0.381
132 HD2 PHE 20 HD1 PHE 20 -0.052 -8.237 -1.896
133 HE1 PHE 20 HE2 PHE 20 -1.490 -5.383 1.899
134 HE2 PHE 20 HE1 PHE 20 -0.214 -9.198 0.383
135 HZ PHE 20 HZ PHE 20 -0.933 -7.771 2.284
136 H GLU 21 H GLU 21 1.513 -6.801 -4.571
137 HA GLU 21 HA GLU 21 3.171 -8.419 -2.987
138 HB2 GLU 21 HB2 GLU 21 1.921 -9.091 -5.066
139 HB3 GLU 21 HB3 GLU 21 3.030 -8.075 -6.017
140 HG2 GLU 21 HG2 GLU 21 4.928 -9.434 -5.353
141 HG3 GLU 21 HG3 GLU 21 3.911 -10.379 -4.240
142 H GLU 22 H GLU 22 3.762 -5.624 -5.144
143 HA GLU 22 HA GLU 22 6.648 -5.798 -4.914
144 HB2 GLU 22 HB2 GLU 22 4.827 -3.919 -6.471
145 HB3 GLU 22 HB3 GLU 22 6.604 -3.948 -6.541
146 HG2 GLU 22 HG2 GLU 22 4.804 -6.283 -7.277
147 HG3 GLU 22 HG3 GLU 22 5.531 -5.148 -8.439
148 H CYS 23 H CYS 23 4.432 -4.800 -2.746
149 HA CYS 23 HA CYS 23 4.936 -2.159 -2.191
150 HB2 CYS 23 HB2 CYS 23 3.138 -3.470 -1.127
151 HB3 CYS 23 HB3 CYS 23 4.366 -4.305 -0.145
152 HG CYS 23 HG CYS 23 3.178 -2.475 1.284
153 HA PRO 24 HA PRO 24 8.588 -3.251 0.657
154 HB2 PRO 24 HB2 PRO 24 10.335 -5.195 -0.087
155 HB3 PRO 24 HB3 PRO 24 9.040 -5.435 1.110
156 HG2 PRO 24 HG2 PRO 24 9.057 -6.138 -1.859
157 HG3 PRO 24 HG3 PRO 24 8.454 -7.115 -0.499
158 HD2 PRO 24 HD2 PRO 24 6.746 -5.652 -2.052
159 HD3 PRO 24 HD3 PRO 24 6.462 -5.871 -0.309
160 H LYS 25 H LYS 25 8.758 -3.717 -2.902
161 HA LYS 25 HA LYS 25 11.236 -2.354 -3.228
162 HB2 LYS 25 HB2 LYS 25 9.060 -2.786 -5.267
163 HB3 LYS 25 HB3 LYS 25 10.713 -2.198 -5.566
164 HG2 LYS 25 HG2 LYS 25 11.580 -4.337 -4.544
165 HG3 LYS 25 HG3 LYS 25 9.901 -4.922 -4.473
166 HD2 LYS 25 HD2 LYS 25 10.949 -5.773 -6.501
167 HD3 LYS 25 HD3 LYS 25 9.728 -4.559 -6.953
168 HE2 LYS 25 HE2 LYS 25 11.792 -4.254 -8.252
169 HE3 LYS 25 HE3 LYS 25 11.512 -2.860 -7.182
170 HZ1 LYS 25 HZ1 LYS 25 13.330 -5.092 -6.643
171 HZ2 LYS 25 HZ2 LYS 25 13.770 -3.582 -7.139
172 HZ3 LYS 25 HZ3 LYS 25 13.074 -3.793 -5.658
173 H CYS 26 H CYS 26 7.943 -1.228 -2.633
174 HA CYS 26 HA CYS 26 8.046 1.270 -3.876
175 HB2 CYS 26 HB2 CYS 26 6.536 0.261 -1.450
176 HB3 CYS 26 HB3 CYS 26 6.318 1.874 -2.171
177 HG CYS 26 HG CYS 26 4.349 0.338 -2.812
178 H SER 27 H SER 27 9.296 0.034 -0.754
179 HA SER 27 HA SER 27 9.784 2.474 0.542
180 HB2 SER 27 HB2 SER 27 11.257 -0.171 0.779
181 HB3 SER 27 HB3 SER 27 11.346 1.193 1.918
182 HG SER 27 HG SER 27 9.830 -0.401 2.561
183 H ALA 28 H ALA 28 11.667 0.542 -1.852
184 HA ALA 28 HA ALA 28 14.080 2.032 -1.605
185 HB1 ALA 28 HB1 ALA 28 13.034 0.423 -3.960
186 HB2 ALA 28 HB2 ALA 28 14.687 1.050 -3.761
187 HB3 ALA 28 HB3 ALA 28 14.069 -0.198 -2.653
188 H LEU 29 H LEU 29 14.670 3.903 -2.732
189 HA LEU 29 HA LEU 29 12.494 5.361 -4.006
190 HB2 LEU 29 HB2 LEU 29 15.005 6.059 -2.565
191 HB3 LEU 29 HB3 LEU 29 14.521 7.121 -3.908
192 HG LEU 29 HG LEU 29 12.237 7.289 -2.858
193 HD11 LEU 29 1HD1 LEU 29 13.587 5.909 -0.520
194 HD12 LEU 29 2HD1 LEU 29 11.978 6.668 -0.506
195 HD13 LEU 29 3HD1 LEU 29 12.279 5.238 -1.521
196 HD21 LEU 29 3HD2 LEU 29 14.606 8.154 -1.153
197 HD22 LEU 29 1HD2 LEU 29 13.953 9.033 -2.556
198 HD23 LEU 29 2HD2 LEU 29 12.968 8.846 -1.084
199 H GLN 30 H GLN 30 14.317 3.145 -5.387
200 HA GLN 30 HA GLN 30 15.917 4.428 -7.267
201 HB2 GLN 30 HB2 GLN 30 14.309 1.858 -7.576
202 HB3 GLN 30 HB3 GLN 30 15.636 2.391 -8.633
203 HG2 GLN 30 HG2 GLN 30 17.180 2.381 -6.696
204 HG3 GLN 30 HG3 GLN 30 15.861 1.830 -5.646
205 HE21 GLN 30 2HE2 GLN 30 18.549 0.732 -7.113
206 HE22 GLN 30 1HE2 GLN 30 18.081 -0.915 -7.472
207 H TYR 31 H TYR 31 12.426 3.533 -7.420
208 HA TYR 31 HA TYR 31 12.040 4.366 -10.082
209 HB2 TYR 31 HB2 TYR 31 10.629 2.719 -8.999
210 HB3 TYR 31 HB3 TYR 31 10.126 3.901 -7.786
211 HD1 TYR 31 HD1 TYR 31 10.312 3.727 -11.545
212 HD2 TYR 31 HD2 TYR 31 8.004 4.760 -8.067
213 HE1 TYR 31 HE1 TYR 31 8.425 4.403 -13.005
214 HE2 TYR 31 HE2 TYR 31 6.107 5.428 -9.513
215 HH TYR 31 HH TYR 31 6.284 5.227 -13.094
216 H ARG 32 H ARG 32 11.751 6.167 -6.969
217 HA ARG 32 HA ARG 32 10.500 8.443 -8.070
218 HB2 ARG 32 HB2 ARG 32 12.269 8.178 -5.610
219 HB3 ARG 32 HB3 ARG 32 11.349 9.624 -6.079
220 HG2 ARG 32 HG2 ARG 32 9.259 8.189 -6.104
221 HG3 ARG 32 HG3 ARG 32 10.228 6.889 -5.371
222 HD2 ARG 32 HD2 ARG 32 10.811 8.457 -3.498
223 HD3 ARG 32 HD3 ARG 32 9.760 9.678 -4.232
224 HE ARG 32 HE ARG 32 8.169 7.415 -3.973
225 HH11 ARG 32 2HH1 ARG 32 10.051 9.484 -1.799
226 HH12 ARG 32 1HH1 ARG 32 8.998 9.219 -0.428
227 HH21 ARG 32 2HH2 ARG 32 6.795 7.071 -2.170
228 HH22 ARG 32 1HH2 ARG 32 7.143 7.843 -0.640
229 H ASN 33 H ASN 33 13.943 7.541 -7.616
230 HA ASN 33 HA ASN 33 15.032 10.042 -8.331
231 HB2 ASN 33 HB2 ASN 33 16.241 7.249 -8.449
232 HB3 ASN 33 HB3 ASN 33 17.138 8.768 -8.643
233 HD21 ASN 33 1HD2 ASN 33 17.442 6.651 -6.580
234 HD22 ASN 33 2HD2 ASN 33 17.207 7.445 -5.039
235 H GLY 34 H GLY 34 16.126 10.682 -10.227
236 HA2 GLY 34 HA2 GLY 34 16.729 10.579 -12.413
237 HA3 GLY 34 HA3 GLY 34 15.765 9.114 -12.631
238 H PHE 35 H PHE 35 13.807 11.414 -10.980
239 HA PHE 35 HA PHE 35 12.571 12.151 -13.538
240 HB2 PHE 35 HB2 PHE 35 11.372 11.861 -10.817
241 HB3 PHE 35 HB3 PHE 35 10.612 12.786 -12.133
242 HD1 PHE 35 HD1 PHE 35 11.889 9.402 -11.196
243 HD2 PHE 35 HD2 PHE 35 9.722 11.741 -14.082
244 HE1 PHE 35 HE1 PHE 35 11.196 7.326 -12.369
245 HE2 PHE 35 HE2 PHE 35 9.027 9.663 -15.244
246 HZ PHE 35 HZ PHE 35 9.763 7.455 -14.382
247 H TYR 36 H TYR 36 11.845 14.212 -13.969
248 HA TYR 36 HA TYR 36 13.819 16.131 -13.624
249 HB2 TYR 36 HB2 TYR 36 12.338 16.046 -15.564
250 HB3 TYR 36 HB3 TYR 36 10.917 16.284 -14.541
251 HD1 TYR 36 HD1 TYR 36 14.035 17.943 -15.749
252 HD2 TYR 36 HD2 TYR 36 10.165 18.437 -13.944
253 HE1 TYR 36 HE1 TYR 36 14.224 20.401 -16.029
254 HE2 TYR 36 HE2 TYR 36 10.341 20.892 -14.216
255 HH TYR 36 HH TYR 36 13.217 22.439 -15.707
256 H LEU 37 H LEU 37 10.549 16.110 -11.900
257 HA LEU 37 HA LEU 37 11.999 17.801 -9.994
258 HB2 LEU 37 HB2 LEU 37 10.980 19.439 -11.450
259 HB3 LEU 37 HB3 LEU 37 9.404 18.656 -11.270
260 HG LEU 37 HG LEU 37 9.403 19.168 -8.859
261 HD11 LEU 37 1HD1 LEU 37 12.014 20.628 -9.478
262 HD12 LEU 37 2HD1 LEU 37 11.096 20.762 -7.959
263 HD13 LEU 37 3HD1 LEU 37 11.836 19.213 -8.414
264 HD21 LEU 37 3HD2 LEU 37 10.035 21.589 -10.600
265 HD22 LEU 37 1HD2 LEU 37 8.504 20.691 -10.629
266 HD23 LEU 37 2HD2 LEU 37 9.000 21.558 -9.150
267 H LEU 38 H LEU 38 11.693 17.190 -8.039
268 HA LEU 38 HA LEU 38 10.158 14.941 -7.352
269 HB2 LEU 38 HB2 LEU 38 11.495 17.052 -5.638
270 HB3 LEU 38 HB3 LEU 38 10.773 15.552 -5.030
271 HG LEU 38 HG LEU 38 13.070 15.696 -7.029
272 HD11 LEU 38 1HD1 LEU 38 13.003 14.991 -4.061
273 HD12 LEU 38 2HD1 LEU 38 14.431 14.906 -5.119
274 HD13 LEU 38 3HD1 LEU 38 13.684 16.478 -4.760
275 HD21 LEU 38 3HD2 LEU 38 11.779 13.357 -5.550
276 HD22 LEU 38 1HD2 LEU 38 11.736 13.643 -7.307
277 HD23 LEU 38 2HD2 LEU 38 13.273 13.259 -6.510
278 H LYS 39 H LYS 39 9.633 18.459 -6.983
279 HA LYS 39 HA LYS 39 7.420 18.385 -5.290
280 HB2 LYS 39 HB2 LYS 39 8.175 20.429 -7.406
281 HB3 LYS 39 HB3 LYS 39 6.961 20.650 -6.139
282 HG2 LYS 39 HG2 LYS 39 8.701 20.409 -4.402
283 HG3 LYS 39 HG3 LYS 39 9.934 20.191 -5.672
284 HD2 LYS 39 HD2 LYS 39 9.373 22.406 -6.611
285 HD3 LYS 39 HD3 LYS 39 8.116 22.625 -5.375
286 HE2 LYS 39 HE2 LYS 39 9.828 22.512 -3.602
287 HE3 LYS 39 HE3 LYS 39 11.090 22.282 -4.831
288 HZ1 LYS 39 HZ1 LYS 39 9.344 24.630 -4.587
289 HZ2 LYS 39 HZ2 LYS 39 10.511 24.415 -5.732
290 HZ3 LYS 39 HZ3 LYS 39 10.931 24.556 -4.144
291 H TYR 40 H TYR 40 7.622 17.648 -8.771
292 HA TYR 40 HA TYR 40 5.008 18.407 -9.491
293 HB2 TYR 40 HB2 TYR 40 6.774 17.970 -11.137
294 HB3 TYR 40 HB3 TYR 40 6.782 16.258 -10.680
295 HD1 TYR 40 HD1 TYR 40 4.583 18.974 -12.002
296 HD2 TYR 40 HD2 TYR 40 5.249 14.746 -11.644
297 HE1 TYR 40 HE1 TYR 40 2.722 18.556 -13.585
298 HE2 TYR 40 HE2 TYR 40 3.399 14.308 -13.235
299 HH TYR 40 HH TYR 40 1.502 16.978 -14.712
300 H ASP 41 H ASP 41 3.075 17.546 -9.254
301 HA ASP 41 HA ASP 41 2.802 15.411 -7.336
302 HB2 ASP 41 HB2 ASP 41 1.382 17.435 -7.197
303 HB3 ASP 41 HB3 ASP 41 0.733 17.098 -8.813
304 H GLU 42 H GLU 42 2.645 13.421 -7.755
305 HA GLU 42 HA GLU 42 1.119 12.328 -9.907
306 HB2 GLU 42 HB2 GLU 42 2.759 10.925 -10.902
307 HB3 GLU 42 HB3 GLU 42 2.964 12.644 -11.255
308 HG2 GLU 42 HG2 GLU 42 4.759 12.744 -9.502
309 HG3 GLU 42 HG3 GLU 42 4.644 10.973 -9.360
310 H GLU 43 H GLU 43 1.976 9.658 -9.656
311 HA GLU 43 HA GLU 43 0.448 8.905 -7.465
312 HB2 GLU 43 HB2 GLU 43 2.562 7.341 -9.010
313 HB3 GLU 43 HB3 GLU 43 1.322 6.645 -7.948
314 HG2 GLU 43 HG2 GLU 43 -0.443 7.645 -9.402
315 HG3 GLU 43 HG3 GLU 43 0.823 8.224 -10.504
316 H TRP 44 H TRP 44 4.096 8.969 -7.716
317 HA TRP 44 HA TRP 44 4.330 7.894 -5.063
318 HB2 TRP 44 HB2 TRP 44 6.637 8.286 -5.127
319 HB3 TRP 44 HB3 TRP 44 6.113 7.459 -6.583
320 HD1 TRP 44 HD1 TRP 44 7.491 10.843 -5.420
321 HE1 TRP 44 HE1 TRP 44 8.678 11.951 -7.385
322 HE3 TRP 44 HE3 TRP 44 6.104 7.585 -9.087
323 HZ2 TRP 44 HZ2 TRP 44 9.048 11.427 -10.226
324 HZ3 TRP 44 HZ3 TRP 44 6.891 7.901 -11.409
325 HH2 TRP 44 HH2 TRP 44 8.352 9.809 -11.986
326 H TYR 45 H TYR 45 5.438 8.918 -3.278
327 HA TYR 45 HA TYR 45 4.163 11.433 -2.713
328 HB2 TYR 45 HB2 TYR 45 6.134 9.790 -1.086
329 HB3 TYR 45 HB3 TYR 45 5.380 11.295 -0.553
330 HD1 TYR 45 HD1 TYR 45 4.747 7.736 -1.387
331 HD2 TYR 45 HD2 TYR 45 3.077 11.406 0.109
332 HE1 TYR 45 HE1 TYR 45 2.758 6.495 -0.584
333 HE2 TYR 45 HE2 TYR 45 1.082 10.176 0.918
334 HH TYR 45 HH TYR 45 0.732 6.631 0.489
335 HA PRO 46 HA PRO 46 7.485 13.861 -4.353
336 HB2 PRO 46 HB2 PRO 46 6.215 15.936 -2.582
337 HB3 PRO 46 HB3 PRO 46 6.704 16.082 -4.302
338 HG2 PRO 46 HG2 PRO 46 4.099 15.743 -3.668
339 HG3 PRO 46 HG3 PRO 46 4.819 14.796 -5.016
340 HD2 PRO 46 HD2 PRO 46 4.316 13.909 -2.164
341 HD3 PRO 46 HD3 PRO 46 3.974 13.051 -3.701
342 H GLU 47 H GLU 47 6.850 13.745 -0.819
343 HA GLU 47 HA GLU 47 9.376 14.901 -0.155
344 HB2 GLU 47 HB2 GLU 47 7.445 14.854 1.455
345 HB3 GLU 47 HB3 GLU 47 7.573 13.086 1.517
346 HG2 GLU 47 HG2 GLU 47 9.900 13.280 2.346
347 HG3 GLU 47 HG3 GLU 47 9.790 15.046 2.249
348 H GLU 48 H GLU 48 11.346 13.830 -0.159
349 HA GLU 48 HA GLU 48 11.233 10.932 -0.628
350 HB2 GLU 48 HB2 GLU 48 13.432 12.898 -1.130
351 HB3 GLU 48 HB3 GLU 48 13.670 11.138 -1.125
352 HG2 GLU 48 HG2 GLU 48 11.911 10.978 -2.907
353 HG3 GLU 48 HG3 GLU 48 11.860 12.755 -2.960
354 H LEU 49 H LEU 49 11.883 9.548 0.796
355 HA LEU 49 HA LEU 49 12.312 10.190 3.471
356 HB2 LEU 49 HB2 LEU 49 13.018 7.638 1.958
357 HB3 LEU 49 HB3 LEU 49 12.755 7.793 3.705
358 HG LEU 49 HG LEU 49 10.662 8.272 1.533
359 HD11 LEU 49 1HD1 LEU 49 11.000 6.018 3.553
360 HD12 LEU 49 2HD1 LEU 49 9.650 6.202 2.409
361 HD13 LEU 49 3HD1 LEU 49 11.293 5.900 1.802
362 HD21 LEU 49 3HD2 LEU 49 10.446 8.270 4.575
363 HD22 LEU 49 1HD2 LEU 49 10.246 9.681 3.509
364 HD23 LEU 49 2HD2 LEU 49 9.073 8.351 3.446
365 H LEU 50 H LEU 50 14.619 9.190 0.872
366 HA LEU 50 HA LEU 50 16.881 9.011 2.541
367 HB2 LEU 50 HB2 LEU 50 16.671 9.492 -0.439
368 HB3 LEU 50 HB3 LEU 50 18.175 9.151 0.438
369 HG LEU 50 HG LEU 50 15.754 7.297 0.402
370 HD11 LEU 50 1HD1 LEU 50 18.387 7.159 -1.127
371 HD12 LEU 50 2HD1 LEU 50 17.108 5.921 -1.136
372 HD13 LEU 50 3HD1 LEU 50 16.797 7.527 -1.833
373 HD21 LEU 50 3HD2 LEU 50 18.619 6.927 1.376
374 HD22 LEU 50 1HD2 LEU 50 17.162 6.996 2.396
375 HD23 LEU 50 2HD2 LEU 50 17.394 5.640 1.276
376 H THR 51 H THR 51 15.572 11.765 0.591
377 HA THR 51 HA THR 51 17.866 13.370 1.361
378 HB THR 51 HB THR 51 16.817 15.092 0.051
379 HG1 THR 51 HG1 THR 51 15.012 14.536 -1.188
380 HG21 THR 51 1HG2 THR 51 16.997 12.404 -1.372
381 HG22 THR 51 2HG2 THR 51 17.125 14.002 -2.143
382 HG23 THR 51 3HG2 THR 51 18.376 13.466 -0.997
383 H ASP 52 H ASP 52 17.711 13.394 3.637
384 HA ASP 52 HA ASP 52 15.295 14.587 4.738
385 HB2 ASP 52 HB2 ASP 52 16.294 12.729 5.995
386 HB3 ASP 52 HB3 ASP 52 17.848 13.583 6.071
387 H GLY 53 H GLY 53 15.186 16.671 4.327
388 HA2 GLY 53 HA2 GLY 53 15.537 18.839 4.783
389 HA3 GLY 53 HA3 GLY 53 17.151 18.465 5.397
390 H GLU 54 H GLU 54 17.330 16.897 2.500
391 HA GLU 54 HA GLU 54 18.844 18.970 1.290
392 HB2 GLU 54 HB2 GLU 54 17.806 16.557 -0.172
393 HB3 GLU 54 HB3 GLU 54 19.266 17.475 -0.457
394 HG2 GLU 54 HG2 GLU 54 18.770 15.724 1.986
395 HG3 GLU 54 HG3 GLU 54 19.791 15.311 0.598
396 H ASP 55 H ASP 55 15.583 17.542 0.724
397 HA ASP 55 HA ASP 55 14.941 18.964 -1.594
398 HB2 ASP 55 HB2 ASP 55 13.144 17.874 0.622
399 HB3 ASP 55 HB3 ASP 55 12.562 18.533 -0.915
400 H ASP 56 H ASP 56 14.342 19.541 1.890
401 HA ASP 56 HA ASP 56 13.578 21.216 3.122
402 HB2 ASP 56 HB2 ASP 56 15.796 22.106 2.548
403 HB3 ASP 56 HB3 ASP 56 15.077 22.977 1.180
404 H VAL 57 H VAL 57 11.650 20.167 1.391
405 HA VAL 57 HA VAL 57 10.192 22.547 0.464
406 HB VAL 57 HB VAL 57 9.662 19.599 -0.029
407 HG11 VAL 57 1HG1 VAL 57 8.295 22.121 -1.070
408 HG12 VAL 57 2HG1 VAL 57 7.966 20.464 -1.627
409 HG13 VAL 57 3HG1 VAL 57 7.583 20.930 0.044
410 HG21 VAL 57 3HG2 VAL 57 10.676 21.827 -1.846
411 HG22 VAL 57 1HG2 VAL 57 11.638 20.462 -1.242
412 HG23 VAL 57 2HG2 VAL 57 10.286 20.168 -2.358
413 H PHE 58 H PHE 58 10.017 19.475 2.379
414 HA PHE 58 HA PHE 58 7.500 20.039 3.554
415 HB2 PHE 58 HB2 PHE 58 9.449 17.847 3.908
416 HB3 PHE 58 HB3 PHE 58 8.067 18.101 5.004
417 HD1 PHE 58 HD1 PHE 58 8.958 17.742 1.381
418 HD2 PHE 58 HD2 PHE 58 5.835 17.673 4.337
419 HE1 PHE 58 HE1 PHE 58 7.331 17.033 -0.351
420 HE2 PHE 58 HE2 PHE 58 4.212 16.951 2.606
421 HZ PHE 58 HZ PHE 58 4.958 16.639 0.259
422 H ASP 59 H ASP 59 10.743 20.837 4.802
423 HA ASP 59 HA ASP 59 9.765 21.378 7.392
424 HB2 ASP 59 HB2 ASP 59 12.130 22.662 5.997
425 HB3 ASP 59 HB3 ASP 59 11.776 22.683 7.737
426 HA PRO 60 HA PRO 60 8.733 25.762 6.173
427 HB2 PRO 60 HB2 PRO 60 8.705 26.768 3.645
428 HB3 PRO 60 HB3 PRO 60 10.215 26.665 4.624
429 HG2 PRO 60 HG2 PRO 60 9.188 24.683 2.561
430 HG3 PRO 60 HG3 PRO 60 10.828 25.406 2.662
431 HD2 PRO 60 HD2 PRO 60 10.295 22.936 3.692
432 HD3 PRO 60 HD3 PRO 60 11.397 24.068 4.531
433 H ASP 61 H ASP 61 7.547 23.130 4.196
434 HA ASP 61 HA ASP 61 5.549 22.499 3.456
435 HB2 ASP 61 HB2 ASP 61 5.148 22.348 5.880
436 HB3 ASP 61 HB3 ASP 61 4.411 23.961 5.829
437 H LEU 62 H LEU 62 6.559 24.468 1.943
438 HA LEU 62 HA LEU 62 4.215 26.140 1.329
439 HB2 LEU 62 HB2 LEU 62 6.199 27.514 1.811
440 HB3 LEU 62 HB3 LEU 62 7.169 26.545 0.688
441 HG LEU 62 HG LEU 62 5.666 27.256 -1.183
442 HD11 LEU 62 1HD1 LEU 62 4.482 29.084 0.952
443 HD12 LEU 62 2HD1 LEU 62 4.162 29.197 -0.794
444 HD13 LEU 62 3HD1 LEU 62 3.632 27.765 0.111
445 HD21 LEU 62 3HD2 LEU 62 6.924 29.514 0.426
446 HD22 LEU 62 1HD2 LEU 62 7.775 28.438 -0.708
447 HD23 LEU 62 2HD2 LEU 62 6.535 29.560 -1.311
448 H ASP 63 H ASP 63 3.170 25.491 -0.520
449 HA ASP 63 HA ASP 63 4.632 23.672 -2.322
450 HB2 ASP 63 HB2 ASP 63 2.670 22.555 -1.352
451 HB3 ASP 63 HB3 ASP 63 1.632 23.917 -1.821
452 H MET 64 H MET 64 5.068 24.636 -4.291
453 HA MET 64 HA MET 64 3.526 27.065 -4.951
454 HB2 MET 64 HB2 MET 64 6.390 26.380 -5.681
455 HB3 MET 64 HB3 MET 64 5.471 27.760 -6.323
456 HG2 MET 64 HG2 MET 64 5.222 28.708 -4.117
457 HG3 MET 64 HG3 MET 64 5.913 27.270 -3.357
458 HE1 MET 64 HE1 MET 64 8.398 26.452 -4.861
459 HE2 MET 64 HE2 MET 64 9.659 27.423 -4.069
460 HE3 MET 64 HE3 MET 64 8.347 26.708 -3.102
461 H GLU 65 H GLU 65 2.129 26.592 -6.445
462 HA GLU 65 HA GLU 65 2.016 24.262 -7.993
463 HB2 GLU 65 HB2 GLU 65 0.621 26.938 -8.390
464 HB3 GLU 65 HB3 GLU 65 0.222 25.419 -9.225
465 HG2 GLU 65 HG2 GLU 65 -0.215 24.339 -7.030
466 HG3 GLU 65 HG3 GLU 65 0.121 25.880 -6.215
467 H VAL 66 H VAL 66 3.115 27.581 -8.746
468 HA VAL 66 HA VAL 66 3.427 27.285 -11.507
469 HB VAL 66 HB VAL 66 4.862 29.112 -9.563
470 HG11 VAL 66 1HG1 VAL 66 4.474 29.237 -12.586
471 HG12 VAL 66 2HG1 VAL 66 5.184 30.526 -11.583
472 HG13 VAL 66 3HG1 VAL 66 6.014 28.963 -11.735
473 HG21 VAL 66 3HG2 VAL 66 2.339 29.479 -11.237
474 HG22 VAL 66 1HG2 VAL 66 2.407 29.344 -9.464
475 HG23 VAL 66 2HG2 VAL 66 3.134 30.747 -10.275
476 H VAL 67 H VAL 67 5.755 26.691 -8.770
477 HA VAL 67 HA VAL 67 7.986 26.211 -10.424
478 HB VAL 67 HB VAL 67 7.375 25.232 -7.637
479 HG11 VAL 67 1HG1 VAL 67 9.981 25.333 -9.211
480 HG12 VAL 67 2HG1 VAL 67 9.833 24.940 -7.481
481 HG13 VAL 67 3HG1 VAL 67 9.119 23.862 -8.697
482 HG21 VAL 67 3HG2 VAL 67 8.963 27.611 -8.689
483 HG22 VAL 67 1HG2 VAL 67 7.399 27.688 -7.842
484 HG23 VAL 67 2HG2 VAL 67 8.847 27.117 -6.984
485 H PHE 68 H PHE 68 5.545 23.849 -8.989
486 HA PHE 68 HA PHE 68 6.909 21.708 -10.349
487 HB2 PHE 68 HB2 PHE 68 5.572 20.186 -9.569
488 HB3 PHE 68 HB3 PHE 68 5.905 21.276 -8.239
489 HD1 PHE 68 HD1 PHE 68 3.310 20.016 -10.546
490 HD2 PHE 68 HD2 PHE 68 4.149 22.416 -7.081
491 HE1 PHE 68 HE1 PHE 68 0.903 20.000 -9.951
492 HE2 PHE 68 HE2 PHE 68 1.742 22.405 -6.490
493 HZ PHE 68 HZ PHE 68 0.117 21.196 -7.923
494 H GLU 69 H GLU 69 4.115 23.653 -11.347
495 HA GLU 69 HA GLU 69 3.777 21.866 -13.603
496 HB2 GLU 69 HB2 GLU 69 2.375 24.465 -12.944
497 HB3 GLU 69 HB3 GLU 69 1.952 23.332 -14.248
498 HG2 GLU 69 HG2 GLU 69 1.480 21.575 -12.595
499 HG3 GLU 69 HG3 GLU 69 1.980 22.649 -11.278
500 H THR 70 H THR 70 6.034 22.128 -14.227
501 HA THR 70 HA THR 70 7.061 24.505 -15.342
502 HB THR 70 HB THR 70 7.717 21.587 -15.817
503 HG1 THR 70 HG1 THR 70 9.320 22.071 -14.255
504 HG21 THR 70 1HG2 THR 70 9.311 24.132 -16.345
505 HG22 THR 70 2HG2 THR 70 9.927 22.471 -16.515
506 HG23 THR 70 3HG2 THR 70 8.631 23.049 -17.584
507 H GLN 71 H GLN 71 5.185 21.727 -16.537
508 HA GLN 71 HA GLN 71 5.239 22.373 -19.305
509 HB2 GLN 71 HB2 GLN 71 3.018 20.787 -17.985
510 HB3 GLN 71 HB3 GLN 71 3.693 20.644 -19.613
511 HG2 GLN 71 HG2 GLN 71 4.657 18.802 -18.641
512 HG3 GLN 71 HG3 GLN 71 5.909 19.995 -18.250
513 HE21 GLN 71 1HE2 GLN 71 2.846 18.550 -17.016
514 HE22 GLN 71 2HE2 GLN 71 3.291 18.579 -15.323
Start of MODEL 4
1 H1 GLY 1 H1 GLY 1 -13.067 -10.526 -15.367
2 H2 GLY 1 H2 GLY 1 -12.900 -9.469 -14.051
3 H3 GLY 1 H3 GLY 1 -11.743 -9.477 -15.291
4 HA2 GLY 1 HA3 GLY 1 -11.142 -10.635 -13.138
5 HA3 GLY 1 HA2 GLY 1 -12.283 -11.886 -13.689
6 H SER 2 H SER 2 -9.256 -11.698 -13.307
7 HA SER 2 HA SER 2 -8.532 -12.744 -15.956
8 HB2 SER 2 HB2 SER 2 -6.268 -11.875 -15.675
9 HB3 SER 2 HB3 SER 2 -7.445 -10.540 -15.688
10 HG SER 2 HG SER 2 -5.911 -10.360 -13.991
11 H THR 3 H THR 3 -6.970 -14.462 -15.883
12 HA THR 3 HA THR 3 -7.199 -16.026 -13.456
13 HB THR 3 HB THR 3 -5.813 -16.682 -16.046
14 HG1 THR 3 HG1 THR 3 -7.721 -17.926 -16.322
15 HG21 THR 3 1HG2 THR 3 -6.651 -18.377 -13.655
16 HG22 THR 3 2HG2 THR 3 -5.933 -18.987 -15.165
17 HG23 THR 3 3HG2 THR 3 -4.980 -17.941 -14.086
18 H ALA 4 H ALA 4 -6.116 -14.591 -12.089
19 HA ALA 4 HA ALA 4 -3.217 -14.358 -12.487
20 HB1 ALA 4 HB1 ALA 4 -5.063 -12.754 -10.657
21 HB2 ALA 4 HB2 ALA 4 -3.300 -12.561 -10.802
22 HB3 ALA 4 HB3 ALA 4 -4.354 -12.163 -12.179
23 H MET 5 H MET 5 -1.969 -15.243 -10.762
24 HA MET 5 HA MET 5 -3.139 -17.341 -9.291
25 HB2 MET 5 HB2 MET 5 -1.030 -17.690 -8.292
26 HB3 MET 5 HB3 MET 5 -0.697 -17.183 -9.965
27 HG2 MET 5 HG2 MET 5 -0.573 -15.388 -7.514
28 HG3 MET 5 HG3 MET 5 0.823 -16.097 -8.361
29 HE1 MET 5 HE1 MET 5 1.946 -13.770 -8.372
30 HE2 MET 5 HE2 MET 5 1.177 -12.297 -9.011
31 HE3 MET 5 HE3 MET 5 0.530 -13.076 -7.546
32 H ALA 6 H ALA 6 -4.060 -17.501 -7.478
33 HA ALA 6 HA ALA 6 -5.171 -17.040 -5.622
34 HB1 ALA 6 HB1 ALA 6 -2.771 -15.305 -4.995
35 HB2 ALA 6 HB2 ALA 6 -4.016 -15.838 -3.842
36 HB3 ALA 6 HB3 ALA 6 -2.958 -17.036 -4.623
37 H THR 7 H THR 7 -5.739 -15.360 -8.019
38 HA THR 7 HA THR 7 -6.905 -13.611 -8.679
39 HB THR 7 HB THR 7 -8.876 -13.063 -7.503
40 HG1 THR 7 HG1 THR 7 -7.999 -13.129 -5.388
41 HG21 THR 7 1HG2 THR 7 -8.198 -16.030 -7.409
42 HG22 THR 7 2HG2 THR 7 -9.836 -15.335 -7.429
43 HG23 THR 7 3HG2 THR 7 -8.769 -15.136 -8.838
44 H THR 8 H THR 8 -4.390 -12.824 -7.893
45 HA THR 8 HA THR 8 -4.522 -10.554 -6.163
46 HB THR 8 HB THR 8 -2.437 -11.366 -8.193
47 HG1 THR 8 HG1 THR 8 -2.833 -12.871 -6.497
48 HG21 THR 8 1HG2 THR 8 -2.330 -9.442 -5.840
49 HG22 THR 8 2HG2 THR 8 -0.956 -9.917 -6.866
50 HG23 THR 8 3HG2 THR 8 -2.306 -8.986 -7.559
51 H MET 9 H MET 9 -4.768 -8.379 -6.702
52 HA MET 9 HA MET 9 -6.147 -7.879 -9.182
53 HB2 MET 9 HB2 MET 9 -6.677 -6.756 -6.924
54 HB3 MET 9 HB3 MET 9 -5.240 -5.755 -7.239
55 HG2 MET 9 HG2 MET 9 -7.204 -4.607 -8.134
56 HG3 MET 9 HG3 MET 9 -6.206 -5.177 -9.492
57 HE1 MET 9 HE1 MET 9 -8.079 -4.882 -11.237
58 HE2 MET 9 HE2 MET 9 -9.747 -5.466 -11.026
59 HE3 MET 9 HE3 MET 9 -9.110 -4.189 -9.962
60 H GLU 10 H GLU 10 -5.266 -7.057 -10.972
61 HA GLU 10 HA GLU 10 -2.483 -7.115 -11.392
62 HB2 GLU 10 HB2 GLU 10 -4.656 -5.959 -13.146
63 HB3 GLU 10 HB3 GLU 10 -2.988 -6.352 -13.622
64 HG2 GLU 10 HG2 GLU 10 -3.401 -8.732 -13.027
65 HG3 GLU 10 HG3 GLU 10 -5.083 -8.321 -12.616
66 H GLN 11 H GLN 11 -4.612 -4.195 -10.917
67 HA GLN 11 HA GLN 11 -2.417 -2.537 -11.771
68 HB2 GLN 11 HB2 GLN 11 -3.540 -0.597 -10.912
69 HB3 GLN 11 HB3 GLN 11 -4.565 -1.535 -12.025
70 HG2 GLN 11 HG2 GLN 11 -4.819 -2.199 -9.134
71 HG3 GLN 11 HG3 GLN 11 -5.422 -0.601 -9.635
72 HE21 GLN 11 1HE2 GLN 11 -7.593 -0.865 -9.554
73 HE22 GLN 11 2HE2 GLN 11 -8.475 -2.068 -10.468
74 H GLU 12 H GLU 12 -1.327 -0.962 -10.646
75 HA GLU 12 HA GLU 12 -0.156 -2.011 -8.240
76 HB2 GLU 12 HB2 GLU 12 0.483 0.540 -9.755
77 HB3 GLU 12 HB3 GLU 12 1.476 -0.261 -8.514
78 HG2 GLU 12 HG2 GLU 12 1.613 -2.256 -10.053
79 HG3 GLU 12 HG3 GLU 12 0.839 -1.253 -11.303
80 H ILE 13 H ILE 13 -1.827 -1.950 -6.790
81 HA ILE 13 HA ILE 13 -3.127 0.544 -6.094
82 HB ILE 13 HB ILE 13 -4.407 -0.730 -4.524
83 HG12 ILE 13 2HG1 ILE 13 -4.357 -3.248 -4.728
84 HG13 ILE 13 3HG1 ILE 13 -2.753 -3.082 -5.481
85 HG21 ILE 13 1HG2 ILE 13 -4.199 -1.941 -7.319
86 HG22 ILE 13 2HG2 ILE 13 -5.614 -2.052 -6.246
87 HG23 ILE 13 3HG2 ILE 13 -5.108 -0.472 -6.892
88 HD11 ILE 13 3HD1 ILE 13 -1.917 -1.965 -3.455
89 HD12 ILE 13 1HD1 ILE 13 -3.521 -2.131 -2.702
90 HD13 ILE 13 2HD1 ILE 13 -2.567 -3.582 -3.093
91 H CYS 14 H CYS 14 -0.143 -0.691 -4.906
92 HA CYS 14 HA CYS 14 -0.545 0.001 -2.186
93 HB2 CYS 14 HB2 CYS 14 1.384 -1.373 -2.895
94 HB3 CYS 14 HB3 CYS 14 2.110 0.092 -3.599
95 H ALA 15 H ALA 15 0.043 1.803 -1.042
96 HA ALA 15 HA ALA 15 -0.869 4.232 -2.083
97 HB1 ALA 15 HB1 ALA 15 0.804 3.681 0.397
98 HB2 ALA 15 HB2 ALA 15 -0.083 5.183 0.042
99 HB3 ALA 15 HB3 ALA 15 -0.974 3.667 0.312
100 H HIS 16 H HIS 16 2.493 3.044 -1.491
101 HA HIS 16 HA HIS 16 3.747 5.490 -2.065
102 HB2 HIS 16 HB2 HIS 16 4.757 2.655 -2.249
103 HB3 HIS 16 HB3 HIS 16 5.756 4.104 -2.506
104 HD2 HIS 16 HD2 HIS 16 6.974 5.054 -0.328
105 HE1 HIS 16 HE1 HIS 16 4.532 3.157 2.564
106 H SER 17 H SER 17 2.806 2.758 -4.290
107 HA SER 17 HA SER 17 2.342 4.186 -6.529
108 HB2 SER 17 HB2 SER 17 4.331 3.911 -7.978
109 HB3 SER 17 HB3 SER 17 4.577 5.124 -6.699
110 HG SER 17 HG SER 17 6.346 3.692 -6.921
111 H MET 18 H MET 18 4.425 1.379 -5.585
112 HA MET 18 HA MET 18 3.518 -0.177 -7.823
113 HB2 MET 18 HB2 MET 18 5.261 -1.021 -5.515
114 HB3 MET 18 HB3 MET 18 5.057 -1.826 -7.090
115 HG2 MET 18 HG2 MET 18 5.987 0.219 -8.186
116 HG3 MET 18 HG3 MET 18 6.315 0.882 -6.567
117 HE1 MET 18 HE1 MET 18 8.810 1.250 -7.298
118 HE2 MET 18 HE2 MET 18 9.854 -0.033 -7.954
119 HE3 MET 18 HE3 MET 18 8.458 0.546 -8.893
120 H THR 19 H THR 19 3.352 -2.680 -7.227
121 HA THR 19 HA THR 19 0.600 -2.937 -6.455
122 HB THR 19 HB THR 19 2.707 -4.994 -7.240
123 HG1 THR 19 HG1 THR 19 2.234 -3.401 -8.836
124 HG21 THR 19 1HG2 THR 19 -0.328 -5.170 -7.221
125 HG22 THR 19 2HG2 THR 19 0.793 -6.416 -7.820
126 HG23 THR 19 3HG2 THR 19 0.768 -5.997 -6.090
127 H PHE 20 H PHE 20 -0.024 -4.708 -4.863
128 HA PHE 20 HA PHE 20 0.901 -4.249 -2.285
129 HB2 PHE 20 HB2 PHE 20 -1.379 -5.061 -2.937
130 HB3 PHE 20 HB3 PHE 20 -0.667 -6.562 -3.577
131 HD1 PHE 20 HD2 PHE 20 -1.366 -4.615 -0.499
132 HD2 PHE 20 HD1 PHE 20 -0.059 -8.365 -2.144
133 HE1 PHE 20 HE2 PHE 20 -1.570 -5.668 1.736
134 HE2 PHE 20 HE1 PHE 20 -0.262 -9.418 0.091
135 HZ PHE 20 HZ PHE 20 -1.018 -8.069 2.035
136 H GLU 21 H GLU 21 1.553 -6.821 -4.729
137 HA GLU 21 HA GLU 21 3.184 -8.501 -3.181
138 HB2 GLU 21 HB2 GLU 21 1.974 -9.088 -5.309
139 HB3 GLU 21 HB3 GLU 21 3.098 -8.034 -6.197
140 HG2 GLU 21 HG2 GLU 21 4.985 -9.418 -5.553
141 HG3 GLU 21 HG3 GLU 21 3.949 -10.408 -4.499
142 H GLU 22 H GLU 22 3.811 -5.620 -5.211
143 HA GLU 22 HA GLU 22 6.692 -5.802 -4.935
144 HB2 GLU 22 HB2 GLU 22 4.898 -3.862 -6.448
145 HB3 GLU 22 HB3 GLU 22 6.677 -3.888 -6.486
146 HG2 GLU 22 HG2 GLU 22 4.894 -6.192 -7.350
147 HG3 GLU 22 HG3 GLU 22 5.641 -5.010 -8.451
148 H CYS 23 H CYS 23 4.436 -4.894 -2.769
149 HA CYS 23 HA CYS 23 4.927 -2.277 -2.099
150 HB2 CYS 23 HB2 CYS 23 3.110 -3.632 -1.122
151 HB3 CYS 23 HB3 CYS 23 4.321 -4.506 -0.153
152 HG CYS 23 HG CYS 23 3.105 -2.735 1.327
153 HA PRO 24 HA PRO 24 8.526 -3.483 0.770
154 HB2 PRO 24 HB2 PRO 24 10.288 -5.394 -0.020
155 HB3 PRO 24 HB3 PRO 24 8.972 -5.683 1.143
156 HG2 PRO 24 HG2 PRO 24 9.045 -6.265 -1.852
157 HG3 PRO 24 HG3 PRO 24 8.418 -7.297 -0.544
158 HD2 PRO 24 HD2 PRO 24 6.738 -5.773 -2.068
159 HD3 PRO 24 HD3 PRO 24 6.422 -6.062 -0.341
160 H LYS 25 H LYS 25 8.763 -3.804 -2.801
161 HA LYS 25 HA LYS 25 11.244 -2.428 -3.025
162 HB2 LYS 25 HB2 LYS 25 9.108 -2.778 -5.120
163 HB3 LYS 25 HB3 LYS 25 10.765 -2.177 -5.364
164 HG2 LYS 25 HG2 LYS 25 11.615 -4.356 -4.414
165 HG3 LYS 25 HG3 LYS 25 9.936 -4.944 -4.399
166 HD2 LYS 25 HD2 LYS 25 11.022 -5.711 -6.439
167 HD3 LYS 25 HD3 LYS 25 9.808 -4.480 -6.864
168 HE2 LYS 25 HE2 LYS 25 11.896 -4.122 -8.111
169 HE3 LYS 25 HE3 LYS 25 11.594 -2.772 -6.991
170 HZ1 LYS 25 HZ1 LYS 25 13.404 -5.024 -6.509
171 HZ2 LYS 25 HZ2 LYS 25 13.852 -3.495 -6.935
172 HZ3 LYS 25 HZ3 LYS 25 13.130 -3.766 -5.477
173 H CYS 26 H CYS 26 7.940 -1.329 -2.446
174 HA CYS 26 HA CYS 26 8.063 1.218 -3.585
175 HB2 CYS 26 HB2 CYS 26 6.509 0.111 -1.230
176 HB3 CYS 26 HB3 CYS 26 6.302 1.752 -1.889
177 HG CYS 26 HG CYS 26 4.348 0.242 -2.628
178 H SER 27 H SER 27 9.256 -0.143 -0.493
179 HA SER 27 HA SER 27 9.717 2.243 0.910
180 HB2 SER 27 HB2 SER 27 11.189 -0.409 1.067
181 HB3 SER 27 HB3 SER 27 11.255 0.908 2.262
182 HG SER 27 HG SER 27 9.729 -0.712 2.811
183 H ALA 28 H ALA 28 11.647 0.410 -1.525
184 HA ALA 28 HA ALA 28 14.053 1.889 -1.173
185 HB1 ALA 28 HB1 ALA 28 13.053 0.377 -3.611
186 HB2 ALA 28 HB2 ALA 28 14.701 0.996 -3.356
187 HB3 ALA 28 HB3 ALA 28 14.064 -0.296 -2.310
188 H LEU 29 H LEU 29 14.662 3.806 -2.212
189 HA LEU 29 HA LEU 29 12.508 5.313 -3.466
190 HB2 LEU 29 HB2 LEU 29 14.990 5.953 -1.951
191 HB3 LEU 29 HB3 LEU 29 14.531 7.069 -3.259
192 HG LEU 29 HG LEU 29 12.227 7.193 -2.245
193 HD11 LEU 29 1HD1 LEU 29 13.535 5.719 0.060
194 HD12 LEU 29 2HD1 LEU 29 11.925 6.477 0.075
195 HD13 LEU 29 3HD1 LEU 29 12.247 5.089 -0.992
196 HD21 LEU 29 3HD2 LEU 29 14.564 7.988 -0.462
197 HD22 LEU 29 1HD2 LEU 29 13.935 8.923 -1.840
198 HD23 LEU 29 2HD2 LEU 29 12.924 8.677 -0.396
199 H GLN 30 H GLN 30 14.341 3.163 -4.859
200 HA GLN 30 HA GLN 30 15.975 4.397 -6.726
201 HB2 GLN 30 HB2 GLN 30 14.276 1.859 -6.926
202 HB3 GLN 30 HB3 GLN 30 15.630 2.274 -8.003
203 HG2 GLN 30 HG2 GLN 30 17.181 2.255 -6.096
204 HG3 GLN 30 HG3 GLN 30 15.845 1.906 -4.984
205 HE21 GLN 30 2HE2 GLN 30 18.274 0.316 -5.480
206 HE22 GLN 30 1HE2 GLN 30 17.728 -1.253 -6.029
207 H TYR 31 H TYR 31 12.485 3.547 -6.803
208 HA TYR 31 HA TYR 31 11.943 4.219 -9.468
209 HB2 TYR 31 HB2 TYR 31 10.525 2.759 -8.044
210 HB3 TYR 31 HB3 TYR 31 10.109 4.150 -7.038
211 HD1 TYR 31 HD1 TYR 31 9.925 2.849 -10.542
212 HD2 TYR 31 HD2 TYR 31 8.290 5.518 -7.600
213 HE1 TYR 31 HE1 TYR 31 8.029 3.347 -12.061
214 HE2 TYR 31 HE2 TYR 31 6.384 6.028 -9.110
215 HH TYR 31 HH TYR 31 6.078 4.521 -12.352
216 H ARG 32 H ARG 32 11.957 6.140 -6.407
217 HA ARG 32 HA ARG 32 10.648 8.420 -7.401
218 HB2 ARG 32 HB2 ARG 32 12.665 8.322 -5.151
219 HB3 ARG 32 HB3 ARG 32 11.557 9.645 -5.567
220 HG2 ARG 32 HG2 ARG 32 9.658 7.909 -5.310
221 HG3 ARG 32 HG3 ARG 32 10.870 6.889 -4.513
222 HD2 ARG 32 HD2 ARG 32 11.307 8.781 -2.907
223 HD3 ARG 32 HD3 ARG 32 10.020 9.702 -3.699
224 HE ARG 32 HE ARG 32 8.720 7.410 -3.090
225 HH11 ARG 32 2HH1 ARG 32 10.795 9.518 -1.136
226 HH12 ARG 32 1HH1 ARG 32 9.978 9.136 0.363
227 HH21 ARG 32 2HH2 ARG 32 7.664 6.917 -1.123
228 HH22 ARG 32 1HH2 ARG 32 8.198 7.656 0.371
229 H ASN 33 H ASN 33 14.099 7.475 -7.334
230 HA ASN 33 HA ASN 33 15.117 9.917 -8.293
231 HB2 ASN 33 HB2 ASN 33 16.226 7.102 -8.680
232 HB3 ASN 33 HB3 ASN 33 17.108 8.620 -8.941
233 HD21 ASN 33 1HD2 ASN 33 16.759 6.142 -6.793
234 HD22 ASN 33 2HD2 ASN 33 17.134 6.968 -5.298
235 H GLY 34 H GLY 34 15.691 10.519 -10.459
236 HA2 GLY 34 HA2 GLY 34 15.827 10.176 -12.746
237 HA3 GLY 34 HA3 GLY 34 14.739 8.791 -12.616
238 H PHE 35 H PHE 35 13.160 11.028 -10.701
239 HA PHE 35 HA PHE 35 11.463 11.885 -12.901
240 HB2 PHE 35 HB2 PHE 35 11.115 12.004 -9.920
241 HB3 PHE 35 HB3 PHE 35 10.151 12.981 -11.026
242 HD1 PHE 35 HD1 PHE 35 11.009 9.418 -10.209
243 HD2 PHE 35 HD2 PHE 35 8.315 12.125 -12.181
244 HE1 PHE 35 HE1 PHE 35 9.384 7.575 -10.521
245 HE2 PHE 35 HE2 PHE 35 6.708 10.270 -12.520
246 HZ PHE 35 HZ PHE 35 7.241 7.996 -11.681
247 H TYR 36 H TYR 36 11.235 13.943 -13.565
248 HA TYR 36 HA TYR 36 13.400 15.708 -13.330
249 HB2 TYR 36 HB2 TYR 36 12.028 15.550 -15.328
250 HB3 TYR 36 HB3 TYR 36 10.571 15.964 -14.418
251 HD1 TYR 36 HD1 TYR 36 14.013 17.453 -14.818
252 HD2 TYR 36 HD2 TYR 36 9.757 18.074 -14.835
253 HE1 TYR 36 HE1 TYR 36 14.370 19.856 -15.311
254 HE2 TYR 36 HE2 TYR 36 10.102 20.478 -15.326
255 HH TYR 36 HH TYR 36 11.631 22.145 -15.697
256 H LEU 37 H LEU 37 10.086 15.949 -11.774
257 HA LEU 37 HA LEU 37 11.414 17.840 -9.943
258 HB2 LEU 37 HB2 LEU 37 8.618 18.162 -11.036
259 HB3 LEU 37 HB3 LEU 37 9.294 19.057 -9.667
260 HG LEU 37 HG LEU 37 10.464 19.085 -12.476
261 HD11 LEU 37 1HD1 LEU 37 8.741 21.144 -11.033
262 HD12 LEU 37 2HD1 LEU 37 9.456 21.327 -12.651
263 HD13 LEU 37 3HD1 LEU 37 8.196 20.104 -12.371
264 HD21 LEU 37 3HD2 LEU 37 10.988 20.797 -10.003
265 HD22 LEU 37 1HD2 LEU 37 12.113 19.615 -10.714
266 HD23 LEU 37 2HD2 LEU 37 11.682 21.081 -11.617
267 H LEU 38 H LEU 38 11.318 17.262 -7.930
268 HA LEU 38 HA LEU 38 9.970 14.954 -7.034
269 HB2 LEU 38 HB2 LEU 38 11.155 17.243 -5.436
270 HB3 LEU 38 HB3 LEU 38 10.624 15.686 -4.790
271 HG LEU 38 HG LEU 38 12.902 16.114 -6.767
272 HD11 LEU 38 1HD1 LEU 38 12.848 15.288 -3.829
273 HD12 LEU 38 2HD1 LEU 38 14.300 15.419 -4.848
274 HD13 LEU 38 3HD1 LEU 38 13.360 16.875 -4.451
275 HD21 LEU 38 3HD2 LEU 38 11.804 13.592 -5.445
276 HD22 LEU 38 1HD2 LEU 38 11.895 13.946 -7.191
277 HD23 LEU 38 2HD2 LEU 38 13.382 13.689 -6.263
278 H LYS 39 H LYS 39 9.361 18.452 -6.919
279 HA LYS 39 HA LYS 39 7.219 18.542 -5.142
280 HB2 LYS 39 HB2 LYS 39 7.922 20.384 -7.460
281 HB3 LYS 39 HB3 LYS 39 6.752 20.737 -6.175
282 HG2 LYS 39 HG2 LYS 39 8.556 20.564 -4.481
283 HG3 LYS 39 HG3 LYS 39 9.736 20.263 -5.784
284 HD2 LYS 39 HD2 LYS 39 9.159 22.437 -6.816
285 HD3 LYS 39 HD3 LYS 39 7.954 22.731 -5.540
286 HE2 LYS 39 HE2 LYS 39 9.744 22.660 -3.834
287 HE3 LYS 39 HE3 LYS 39 10.948 22.375 -5.109
288 HZ1 LYS 39 HZ1 LYS 39 9.228 24.744 -4.875
289 HZ2 LYS 39 HZ2 LYS 39 10.344 24.479 -6.059
290 HZ3 LYS 39 HZ3 LYS 39 10.831 24.674 -4.495
291 H TYR 40 H TYR 40 7.224 17.472 -8.544
292 HA TYR 40 HA TYR 40 4.610 18.278 -9.207
293 HB2 TYR 40 HB2 TYR 40 6.243 17.525 -10.890
294 HB3 TYR 40 HB3 TYR 40 6.213 15.894 -10.203
295 HD1 TYR 40 HD1 TYR 40 4.145 18.490 -11.882
296 HD2 TYR 40 HD2 TYR 40 4.478 14.358 -10.754
297 HE1 TYR 40 HE1 TYR 40 2.165 17.961 -13.272
298 HE2 TYR 40 HE2 TYR 40 2.510 13.805 -12.160
299 HH TYR 40 HH TYR 40 0.754 16.323 -14.031
300 H ASP 41 H ASP 41 2.675 17.557 -8.593
301 HA ASP 41 HA ASP 41 2.568 15.484 -6.578
302 HB2 ASP 41 HB2 ASP 41 0.381 17.275 -7.641
303 HB3 ASP 41 HB3 ASP 41 0.232 16.102 -6.316
304 H GLU 42 H GLU 42 2.076 13.586 -6.674
305 HA GLU 42 HA GLU 42 0.156 12.467 -8.462
306 HB2 GLU 42 HB2 GLU 42 1.460 10.925 -9.641
307 HB3 GLU 42 HB3 GLU 42 2.127 12.535 -9.955
308 HG2 GLU 42 HG2 GLU 42 3.844 12.048 -8.140
309 HG3 GLU 42 HG3 GLU 42 3.180 10.387 -8.146
310 H GLU 43 H GLU 43 0.581 9.780 -8.008
311 HA GLU 43 HA GLU 43 -0.285 9.421 -5.368
312 HB2 GLU 43 HB2 GLU 43 0.956 7.360 -7.223
313 HB3 GLU 43 HB3 GLU 43 0.047 7.027 -5.735
314 HG2 GLU 43 HG2 GLU 43 -1.945 8.137 -6.719
315 HG3 GLU 43 HG3 GLU 43 -1.038 8.411 -8.222
316 H TRP 44 H TRP 44 2.847 9.067 -6.896
317 HA TRP 44 HA TRP 44 4.460 7.865 -5.024
318 HB2 TRP 44 HB2 TRP 44 4.710 8.402 -7.506
319 HB3 TRP 44 HB3 TRP 44 4.714 10.112 -7.082
320 HD1 TRP 44 HD1 TRP 44 7.020 7.163 -7.265
321 HE1 TRP 44 HE1 TRP 44 9.325 8.126 -7.676
322 HE3 TRP 44 HE3 TRP 44 5.961 12.075 -6.419
323 HZ2 TRP 44 HZ2 TRP 44 10.586 10.781 -7.643
324 HZ3 TRP 44 HZ3 TRP 44 7.684 13.797 -6.753
325 HH2 TRP 44 HH2 TRP 44 10.017 13.138 -7.359
326 H TYR 45 H TYR 45 5.580 8.806 -3.147
327 HA TYR 45 HA TYR 45 4.505 11.314 -2.200
328 HB2 TYR 45 HB2 TYR 45 6.535 9.426 -0.977
329 HB3 TYR 45 HB3 TYR 45 5.942 10.914 -0.220
330 HD1 TYR 45 HD2 TYR 45 3.524 11.169 0.330
331 HD2 TYR 45 HD1 TYR 45 5.172 7.429 -1.005
332 HE1 TYR 45 HE2 TYR 45 1.502 9.994 1.153
333 HE2 TYR 45 HE1 TYR 45 3.155 6.242 -0.180
334 HH TYR 45 HH TYR 45 1.114 6.439 0.841
335 HA PRO 46 HA PRO 46 7.583 13.844 -4.058
336 HB2 PRO 46 HB2 PRO 46 6.342 15.790 -2.115
337 HB3 PRO 46 HB3 PRO 46 6.728 16.043 -3.847
338 HG2 PRO 46 HG2 PRO 46 4.180 15.571 -3.106
339 HG3 PRO 46 HG3 PRO 46 4.863 14.688 -4.519
340 HD2 PRO 46 HD2 PRO 46 4.580 13.716 -1.660
341 HD3 PRO 46 HD3 PRO 46 4.147 12.888 -3.188
342 H GLU 47 H GLU 47 7.188 13.702 -0.473
343 HA GLU 47 HA GLU 47 9.752 14.928 -0.061
344 HB2 GLU 47 HB2 GLU 47 7.985 15.073 1.690
345 HB3 GLU 47 HB3 GLU 47 8.055 13.310 1.883
346 HG2 GLU 47 HG2 GLU 47 10.448 13.471 2.501
347 HG3 GLU 47 HG3 GLU 47 10.396 15.226 2.265
348 H GLU 48 H GLU 48 11.688 13.837 -0.096
349 HA GLU 48 HA GLU 48 11.549 10.929 -0.441
350 HB2 GLU 48 HB2 GLU 48 13.725 12.890 -1.082
351 HB3 GLU 48 HB3 GLU 48 13.958 11.126 -1.081
352 HG2 GLU 48 HG2 GLU 48 12.119 10.939 -2.757
353 HG3 GLU 48 HG3 GLU 48 11.992 12.712 -2.786
354 H LEU 49 H LEU 49 12.288 9.565 0.987
355 HA LEU 49 HA LEU 49 12.824 10.301 3.635
356 HB2 LEU 49 HB2 LEU 49 13.420 7.687 2.198
357 HB3 LEU 49 HB3 LEU 49 13.297 7.928 3.952
358 HG LEU 49 HG LEU 49 11.045 8.302 1.927
359 HD11 LEU 49 1HD1 LEU 49 11.516 6.192 4.073
360 HD12 LEU 49 2HD1 LEU 49 10.092 6.305 3.012
361 HD13 LEU 49 3HD1 LEU 49 11.691 5.946 2.321
362 HD21 LEU 49 3HD2 LEU 49 11.064 8.515 4.970
363 HD22 LEU 49 1HD2 LEU 49 10.777 9.847 3.823
364 HD23 LEU 49 2HD2 LEU 49 9.607 8.520 3.950
365 H LEU 50 H LEU 50 15.007 9.229 0.962
366 HA LEU 50 HA LEU 50 17.352 9.089 2.505
367 HB2 LEU 50 HB2 LEU 50 16.942 9.507 -0.464
368 HB3 LEU 50 HB3 LEU 50 18.523 9.266 0.305
369 HG LEU 50 HG LEU 50 16.217 7.290 0.565
370 HD11 LEU 50 1HD1 LEU 50 18.622 7.259 -1.306
371 HD12 LEU 50 2HD1 LEU 50 17.433 5.948 -1.114
372 HD13 LEU 50 3HD1 LEU 50 16.929 7.512 -1.793
373 HD21 LEU 50 3HD2 LEU 50 19.202 7.092 1.148
374 HD22 LEU 50 1HD2 LEU 50 17.897 7.128 2.357
375 HD23 LEU 50 2HD2 LEU 50 18.041 5.749 1.251
376 H THR 51 H THR 51 15.964 11.830 0.553
377 HA THR 51 HA THR 51 18.247 13.458 1.328
378 HB THR 51 HB THR 51 17.068 15.184 -0.001
379 HG1 THR 51 HG1 THR 51 15.019 14.248 0.099
380 HG21 THR 51 1HG2 THR 51 17.744 12.549 -1.375
381 HG22 THR 51 2HG2 THR 51 17.713 14.149 -2.152
382 HG23 THR 51 3HG2 THR 51 18.923 13.794 -0.898
383 H ASP 52 H ASP 52 17.975 13.369 3.600
384 HA ASP 52 HA ASP 52 15.528 14.487 4.688
385 HB2 ASP 52 HB2 ASP 52 16.575 12.567 5.826
386 HB3 ASP 52 HB3 ASP 52 18.100 13.462 5.985
387 H GLY 53 H GLY 53 15.360 16.607 4.312
388 HA2 GLY 53 HA2 GLY 53 15.644 18.762 4.889
389 HA3 GLY 53 HA3 GLY 53 17.234 18.386 5.569
390 H GLU 54 H GLU 54 17.592 16.940 2.638
391 HA GLU 54 HA GLU 54 19.098 19.085 1.553
392 HB2 GLU 54 HB2 GLU 54 18.226 16.539 0.178
393 HB3 GLU 54 HB3 GLU 54 19.516 17.625 -0.315
394 HG2 GLU 54 HG2 GLU 54 19.447 16.012 2.270
395 HG3 GLU 54 HG3 GLU 54 20.418 15.637 0.836
396 H ASP 55 H ASP 55 15.904 17.597 0.844
397 HA ASP 55 HA ASP 55 15.324 18.937 -1.531
398 HB2 ASP 55 HB2 ASP 55 13.472 17.947 0.697
399 HB3 ASP 55 HB3 ASP 55 12.920 18.526 -0.884
400 H ASP 56 H ASP 56 14.604 19.614 1.907
401 HA ASP 56 HA ASP 56 13.836 21.313 3.092
402 HB2 ASP 56 HB2 ASP 56 16.108 22.126 2.545
403 HB3 ASP 56 HB3 ASP 56 15.433 23.017 1.170
404 H VAL 57 H VAL 57 11.975 20.301 1.232
405 HA VAL 57 HA VAL 57 10.619 22.730 0.275
406 HB VAL 57 HB VAL 57 10.041 19.807 -0.308
407 HG11 VAL 57 1HG1 VAL 57 8.812 22.386 -1.378
408 HG12 VAL 57 2HG1 VAL 57 8.461 20.749 -1.978
409 HG13 VAL 57 3HG1 VAL 57 8.004 21.203 -0.323
410 HG21 VAL 57 3HG2 VAL 57 11.237 22.032 -2.015
411 HG22 VAL 57 1HG2 VAL 57 12.100 20.603 -1.400
412 HG23 VAL 57 2HG2 VAL 57 10.801 20.408 -2.595
413 H PHE 58 H PHE 58 10.275 19.631 2.130
414 HA PHE 58 HA PHE 58 7.699 20.226 3.137
415 HB2 PHE 58 HB2 PHE 58 9.614 18.024 3.609
416 HB3 PHE 58 HB3 PHE 58 8.183 18.283 4.636
417 HD1 PHE 58 HD1 PHE 58 9.273 17.799 1.094
418 HD2 PHE 58 HD2 PHE 58 5.965 17.961 3.836
419 HE1 PHE 58 HE1 PHE 58 7.742 17.038 -0.703
420 HE2 PHE 58 HE2 PHE 58 4.435 17.198 2.040
421 HZ PHE 58 HZ PHE 58 5.323 16.741 -0.231
422 H ASP 59 H ASP 59 10.865 20.983 4.629
423 HA ASP 59 HA ASP 59 9.646 21.553 7.127
424 HB2 ASP 59 HB2 ASP 59 12.217 22.708 6.013
425 HB3 ASP 59 HB3 ASP 59 11.638 22.796 7.684
426 HA PRO 60 HA PRO 60 8.994 26.014 5.655
427 HB2 PRO 60 HB2 PRO 60 9.074 25.891 2.666
428 HB3 PRO 60 HB3 PRO 60 9.684 27.183 3.755
429 HG2 PRO 60 HG2 PRO 60 11.408 25.467 2.535
430 HG3 PRO 60 HG3 PRO 60 11.649 25.940 4.250
431 HD2 PRO 60 HD2 PRO 60 10.394 23.412 3.172
432 HD3 PRO 60 HD3 PRO 60 11.607 23.601 4.459
433 H ASP 61 H ASP 61 7.751 23.340 3.687
434 HA ASP 61 HA ASP 61 5.761 22.715 2.963
435 HB2 ASP 61 HB2 ASP 61 5.317 22.637 5.406
436 HB3 ASP 61 HB3 ASP 61 4.569 24.241 5.274
437 H LEU 62 H LEU 62 6.868 24.755 1.507
438 HA LEU 62 HA LEU 62 4.563 26.468 0.866
439 HB2 LEU 62 HB2 LEU 62 6.566 27.785 1.439
440 HB3 LEU 62 HB3 LEU 62 7.528 26.856 0.275
441 HG LEU 62 HG LEU 62 6.068 27.681 -1.572
442 HD11 LEU 62 1HD1 LEU 62 4.815 29.363 0.645
443 HD12 LEU 62 2HD1 LEU 62 4.540 29.590 -1.098
444 HD13 LEU 62 3HD1 LEU 62 3.997 28.099 -0.306
445 HD21 LEU 62 3HD2 LEU 62 7.260 29.857 0.196
446 HD22 LEU 62 1HD2 LEU 62 8.153 28.858 -0.975
447 HD23 LEU 62 2HD2 LEU 62 6.913 29.999 -1.543
448 H ASP 63 H ASP 63 3.589 25.991 -1.067
449 HA ASP 63 HA ASP 63 4.979 24.090 -2.829
450 HB2 ASP 63 HB2 ASP 63 1.994 24.664 -2.623
451 HB3 ASP 63 HB3 ASP 63 2.772 23.569 -3.787
452 H MET 64 H MET 64 5.497 24.851 -4.849
453 HA MET 64 HA MET 64 4.396 27.473 -5.606
454 HB2 MET 64 HB2 MET 64 7.013 26.173 -6.462
455 HB3 MET 64 HB3 MET 64 6.365 27.705 -7.077
456 HG2 MET 64 HG2 MET 64 7.138 27.075 -4.202
457 HG3 MET 64 HG3 MET 64 8.050 28.087 -5.326
458 HE1 MET 64 HE1 MET 64 5.622 29.693 -6.767
459 HE2 MET 64 HE2 MET 64 5.693 31.180 -5.794
460 HE3 MET 64 HE3 MET 64 7.198 30.370 -6.290
461 H GLU 65 H GLU 65 2.658 26.869 -6.824
462 HA GLU 65 HA GLU 65 2.310 24.431 -8.158
463 HB2 GLU 65 HB2 GLU 65 0.855 27.060 -8.503
464 HB3 GLU 65 HB3 GLU 65 0.340 25.477 -9.131
465 HG2 GLU 65 HG2 GLU 65 0.298 24.580 -6.818
466 HG3 GLU 65 HG3 GLU 65 0.763 26.175 -6.195
467 H VAL 66 H VAL 66 3.346 27.602 -9.415
468 HA VAL 66 HA VAL 66 3.224 26.936 -12.133
469 HB VAL 66 HB VAL 66 4.980 28.932 -10.682
470 HG11 VAL 66 1HG1 VAL 66 4.151 28.678 -13.605
471 HG12 VAL 66 2HG1 VAL 66 5.037 30.049 -12.903
472 HG13 VAL 66 3HG1 VAL 66 5.791 28.443 -12.957
473 HG21 VAL 66 3HG2 VAL 66 2.247 29.192 -12.014
474 HG22 VAL 66 1HG2 VAL 66 2.571 29.286 -10.267
475 HG23 VAL 66 2HG2 VAL 66 3.207 30.536 -11.355
476 H VAL 67 H VAL 67 5.866 26.590 -9.667
477 HA VAL 67 HA VAL 67 7.864 25.794 -11.488
478 HB VAL 67 HB VAL 67 7.555 25.184 -8.548
479 HG11 VAL 67 1HG1 VAL 67 9.956 24.976 -10.411
480 HG12 VAL 67 2HG1 VAL 67 10.003 24.790 -8.643
481 HG13 VAL 67 3HG1 VAL 67 9.111 23.617 -9.632
482 HG21 VAL 67 3HG2 VAL 67 9.103 27.340 -10.046
483 HG22 VAL 67 1HG2 VAL 67 7.638 27.598 -9.070
484 HG23 VAL 67 2HG2 VAL 67 9.141 27.063 -8.289
485 H PHE 68 H PHE 68 5.564 23.744 -9.449
486 HA PHE 68 HA PHE 68 6.669 21.386 -10.661
487 HB2 PHE 68 HB2 PHE 68 5.393 20.046 -9.529
488 HB3 PHE 68 HB3 PHE 68 5.743 21.344 -8.405
489 HD1 PHE 68 HD1 PHE 68 3.131 19.713 -10.443
490 HD2 PHE 68 HD2 PHE 68 3.980 22.666 -7.439
491 HE1 PHE 68 HE1 PHE 68 0.729 19.786 -9.837
492 HE2 PHE 68 HE2 PHE 68 1.578 22.738 -6.832
493 HZ PHE 68 HZ PHE 68 -0.050 21.301 -8.032
494 H GLU 69 H GLU 69 3.855 23.364 -11.608
495 HA GLU 69 HA GLU 69 3.135 21.305 -13.502
496 HB2 GLU 69 HB2 GLU 69 1.982 24.065 -13.108
497 HB3 GLU 69 HB3 GLU 69 1.431 22.852 -14.287
498 HG2 GLU 69 HG2 GLU 69 1.075 21.240 -12.409
499 HG3 GLU 69 HG3 GLU 69 1.486 22.531 -11.262
500 H THR 70 H THR 70 5.011 21.035 -14.577
501 HA THR 70 HA THR 70 6.289 22.975 -16.167
502 HB THR 70 HB THR 70 6.112 19.960 -16.427
503 HG1 THR 70 HG1 THR 70 6.921 20.731 -14.424
504 HG21 THR 70 1HG2 THR 70 8.114 21.994 -17.507
505 HG22 THR 70 2HG2 THR 70 8.271 20.226 -17.625
506 HG23 THR 70 3HG2 THR 70 6.951 21.057 -18.476
507 H GLN 71 H GLN 71 3.563 20.690 -16.602
508 HA GLN 71 HA GLN 71 3.146 21.132 -19.387
509 HB2 GLN 71 HB2 GLN 71 0.798 20.356 -17.706
510 HB3 GLN 71 HB3 GLN 71 1.339 19.759 -19.274
511 HG2 GLN 71 HG2 GLN 71 1.889 17.914 -18.092
512 HG3 GLN 71 HG3 GLN 71 3.355 18.814 -17.675
513 HE21 GLN 71 1HE2 GLN 71 2.380 20.681 -15.812
514 HE22 GLN 71 2HE2 GLN 71 1.728 19.846 -14.419
Start of MODEL 5
1 H1 GLY 1 H1 GLY 1 -13.027 -10.872 -15.390
2 H2 GLY 1 H2 GLY 1 -12.881 -9.806 -14.078
3 H3 GLY 1 H3 GLY 1 -11.720 -9.801 -15.314
4 HA2 GLY 1 HA3 GLY 1 -11.108 -10.941 -13.154
5 HA3 GLY 1 HA2 GLY 1 -12.227 -12.211 -13.702
6 H SER 2 H SER 2 -9.204 -11.974 -13.312
7 HA SER 2 HA SER 2 -8.456 -13.021 -15.955
8 HB2 SER 2 HB2 SER 2 -6.207 -12.114 -15.671
9 HB3 SER 2 HB3 SER 2 -7.405 -10.798 -15.694
10 HG SER 2 HG SER 2 -5.879 -10.586 -13.992
11 H THR 3 H THR 3 -6.867 -14.713 -15.869
12 HA THR 3 HA THR 3 -7.079 -16.269 -13.436
13 HB THR 3 HB THR 3 -5.675 -16.915 -16.019
14 HG1 THR 3 HG1 THR 3 -7.562 -18.191 -16.296
15 HG21 THR 3 1HG2 THR 3 -6.493 -18.612 -13.623
16 HG22 THR 3 2HG2 THR 3 -5.761 -19.217 -15.128
17 HG23 THR 3 3HG2 THR 3 -4.828 -18.152 -14.051
18 H ALA 4 H ALA 4 -6.023 -14.812 -12.072
19 HA ALA 4 HA ALA 4 -3.127 -14.535 -12.462
20 HB1 ALA 4 HB1 ALA 4 -5.004 -12.952 -10.646
21 HB2 ALA 4 HB2 ALA 4 -3.243 -12.731 -10.786
22 HB3 ALA 4 HB3 ALA 4 -4.300 -12.357 -12.168
23 H MET 5 H MET 5 -1.870 -15.392 -10.730
24 HA MET 5 HA MET 5 -3.011 -17.501 -9.253
25 HB2 MET 5 HB2 MET 5 -0.901 -17.813 -8.246
26 HB3 MET 5 HB3 MET 5 -0.570 -17.308 -9.921
27 HG2 MET 5 HG2 MET 5 -0.482 -15.501 -7.477
28 HG3 MET 5 HG3 MET 5 0.927 -16.191 -8.317
29 HE1 MET 5 HE1 MET 5 2.013 -13.846 -8.335
30 HE2 MET 5 HE2 MET 5 1.223 -12.389 -8.982
31 HE3 MET 5 HE3 MET 5 0.585 -13.171 -7.517
32 H ALA 6 H ALA 6 -3.935 -17.669 -7.442
33 HA ALA 6 HA ALA 6 -5.059 -17.216 -5.592
34 HB1 ALA 6 HB1 ALA 6 -2.689 -15.441 -4.966
35 HB2 ALA 6 HB2 ALA 6 -3.929 -15.988 -3.813
36 HB3 ALA 6 HB3 ALA 6 -2.849 -17.173 -4.586
37 H THR 7 H THR 7 -5.647 -15.557 -7.998
38 HA THR 7 HA THR 7 -6.838 -13.830 -8.670
39 HB THR 7 HB THR 7 -8.821 -13.307 -7.501
40 HG1 THR 7 HG1 THR 7 -7.949 -13.350 -5.384
41 HG21 THR 7 1HG2 THR 7 -8.096 -16.263 -7.392
42 HG22 THR 7 2HG2 THR 7 -9.745 -15.594 -7.420
43 HG23 THR 7 3HG2 THR 7 -8.677 -15.384 -8.827
44 H THR 8 H THR 8 -4.338 -12.998 -7.879
45 HA THR 8 HA THR 8 -4.511 -10.724 -6.160
46 HB THR 8 HB THR 8 -2.408 -11.512 -8.180
47 HG1 THR 8 HG1 THR 8 -2.784 -13.015 -6.479
48 HG21 THR 8 1HG2 THR 8 -2.338 -9.576 -5.835
49 HG22 THR 8 2HG2 THR 8 -0.954 -10.033 -6.855
50 HG23 THR 8 3HG2 THR 8 -2.316 -9.127 -7.556
51 H MET 9 H MET 9 -4.790 -8.555 -6.709
52 HA MET 9 HA MET 9 -6.169 -8.088 -9.196
53 HB2 MET 9 HB2 MET 9 -6.724 -6.963 -6.944
54 HB3 MET 9 HB3 MET 9 -5.301 -5.942 -7.260
55 HG2 MET 9 HG2 MET 9 -7.281 -4.829 -8.165
56 HG3 MET 9 HG3 MET 9 -6.270 -5.389 -9.518
57 HE1 MET 9 HE1 MET 9 -8.142 -5.131 -11.269
58 HE2 MET 9 HE2 MET 9 -9.801 -5.741 -11.061
59 HE3 MET 9 HE3 MET 9 -9.188 -4.449 -10.001
60 H GLU 10 H GLU 10 -5.295 -7.260 -10.987
61 HA GLU 10 HA GLU 10 -2.511 -7.276 -11.398
62 HB2 GLU 10 HB2 GLU 10 -4.696 -6.162 -13.163
63 HB3 GLU 10 HB3 GLU 10 -3.021 -6.531 -13.633
64 HG2 GLU 10 HG2 GLU 10 -3.398 -8.915 -13.029
65 HG3 GLU 10 HG3 GLU 10 -5.088 -8.529 -12.625
66 H GLN 11 H GLN 11 -4.687 -4.388 -10.943
67 HA GLN 11 HA GLN 11 -2.516 -2.699 -11.797
68 HB2 GLN 11 HB2 GLN 11 -3.673 -0.773 -10.950
69 HB3 GLN 11 HB3 GLN 11 -4.679 -1.733 -12.062
70 HG2 GLN 11 HG2 GLN 11 -4.931 -2.388 -9.169
71 HG3 GLN 11 HG3 GLN 11 -5.558 -0.802 -9.679
72 HE21 GLN 11 1HE2 GLN 11 -7.725 -1.100 -9.603
73 HE22 GLN 11 2HE2 GLN 11 -8.585 -2.321 -10.514
74 H GLU 12 H GLU 12 -1.455 -1.102 -10.676
75 HA GLU 12 HA GLU 12 -0.275 -2.122 -8.262
76 HB2 GLU 12 HB2 GLU 12 0.328 0.432 -9.787
77 HB3 GLU 12 HB3 GLU 12 1.331 -0.348 -8.539
78 HG2 GLU 12 HG2 GLU 12 1.504 -2.347 -10.068
79 HG3 GLU 12 HG3 GLU 12 0.718 -1.362 -11.326
80 H ILE 13 H ILE 13 -1.951 -2.081 -6.818
81 HA ILE 13 HA ILE 13 -3.293 0.395 -6.136
82 HB ILE 13 HB ILE 13 -4.556 -0.892 -4.564
83 HG12 ILE 13 2HG1 ILE 13 -4.467 -3.410 -4.757
84 HG13 ILE 13 3HG1 ILE 13 -2.863 -3.222 -5.506
85 HG21 ILE 13 1HG2 ILE 13 -4.321 -2.112 -7.353
86 HG22 ILE 13 2HG2 ILE 13 -5.737 -2.240 -6.284
87 HG23 ILE 13 3HG2 ILE 13 -5.254 -0.656 -6.935
88 HD11 ILE 13 3HD1 ILE 13 -2.051 -2.083 -3.482
89 HD12 ILE 13 1HD1 ILE 13 -3.654 -2.271 -2.733
90 HD13 ILE 13 2HD1 ILE 13 -2.676 -3.708 -3.115
91 H CYS 14 H CYS 14 -0.293 -0.787 -4.933
92 HA CYS 14 HA CYS 14 -0.714 -0.089 -2.219
93 HB2 CYS 14 HB2 CYS 14 1.239 -1.436 -2.915
94 HB3 CYS 14 HB3 CYS 14 1.943 0.037 -3.624
95 H ALA 15 H ALA 15 -0.159 1.726 -1.081
96 HA ALA 15 HA ALA 15 -1.105 4.136 -2.135
97 HB1 ALA 15 HB1 ALA 15 0.568 3.623 0.353
98 HB2 ALA 15 HB2 ALA 15 -0.341 5.109 -0.012
99 HB3 ALA 15 HB3 ALA 15 -1.209 3.581 0.263
100 H HIS 16 H HIS 16 2.273 3.004 -1.528
101 HA HIS 16 HA HIS 16 3.490 5.467 -2.109
102 HB2 HIS 16 HB2 HIS 16 4.545 2.648 -2.277
103 HB3 HIS 16 HB3 HIS 16 5.523 4.112 -2.537
104 HD2 HIS 16 HD2 HIS 16 6.718 5.090 -0.360
105 HE1 HIS 16 HE1 HIS 16 4.298 3.167 2.533
106 H SER 17 H SER 17 2.600 2.710 -4.324
107 HA SER 17 HA SER 17 2.119 4.121 -6.571
108 HB2 SER 17 HB2 SER 17 4.117 3.872 -8.013
109 HB3 SER 17 HB3 SER 17 4.340 5.094 -6.739
110 HG SER 17 HG SER 17 6.132 3.690 -6.949
111 H MET 18 H MET 18 4.244 1.352 -5.609
112 HA MET 18 HA MET 18 3.368 -0.228 -7.842
113 HB2 MET 18 HB2 MET 18 5.117 -1.034 -5.525
114 HB3 MET 18 HB3 MET 18 4.931 -1.849 -7.097
115 HG2 MET 18 HG2 MET 18 5.832 0.205 -8.199
116 HG3 MET 18 HG3 MET 18 6.145 0.881 -6.583
117 HE1 MET 18 HE1 MET 18 8.635 1.285 -7.308
118 HE2 MET 18 HE2 MET 18 9.702 0.016 -7.954
119 HE3 MET 18 HE3 MET 18 8.300 0.568 -8.901
120 H THR 19 H THR 19 3.240 -2.731 -7.236
121 HA THR 19 HA THR 19 0.490 -3.028 -6.470
122 HB THR 19 HB THR 19 2.632 -5.055 -7.240
123 HG1 THR 19 HG1 THR 19 2.138 -3.476 -8.845
124 HG21 THR 19 1HG2 THR 19 -0.400 -5.279 -7.229
125 HG22 THR 19 2HG2 THR 19 0.743 -6.509 -7.819
126 HG23 THR 19 3HG2 THR 19 0.706 -6.084 -6.091
127 H PHE 20 H PHE 20 -0.110 -4.802 -4.873
128 HA PHE 20 HA PHE 20 0.799 -4.317 -2.294
129 HB2 PHE 20 HB2 PHE 20 -1.465 -5.168 -2.949
130 HB3 PHE 20 HB3 PHE 20 -0.728 -6.659 -3.580
131 HD1 PHE 20 HD2 PHE 20 -1.467 -4.710 -0.513
132 HD2 PHE 20 HD1 PHE 20 -0.096 -8.446 -2.137
133 HE1 PHE 20 HE2 PHE 20 -1.662 -5.757 1.726
134 HE2 PHE 20 HE1 PHE 20 -0.289 -9.493 0.102
135 HZ PHE 20 HZ PHE 20 -1.073 -8.147 2.037
136 H GLU 21 H GLU 21 1.499 -6.888 -4.724
137 HA GLU 21 HA GLU 21 3.152 -8.535 -3.164
138 HB2 GLU 21 HB2 GLU 21 1.958 -9.151 -5.293
139 HB3 GLU 21 HB3 GLU 21 3.068 -8.084 -6.182
140 HG2 GLU 21 HG2 GLU 21 4.975 -9.434 -5.526
141 HG3 GLU 21 HG3 GLU 21 3.951 -10.436 -4.471
142 H GLU 22 H GLU 22 3.740 -5.654 -5.205
143 HA GLU 22 HA GLU 22 6.622 -5.789 -4.919
144 HB2 GLU 22 HB2 GLU 22 4.803 -3.885 -6.447
145 HB3 GLU 22 HB3 GLU 22 6.581 -3.882 -6.479
146 HG2 GLU 22 HG2 GLU 22 4.838 -6.218 -7.338
147 HG3 GLU 22 HG3 GLU 22 5.569 -5.030 -8.442
148 H CYS 23 H CYS 23 4.346 -4.908 -2.765
149 HA CYS 23 HA CYS 23 4.793 -2.280 -2.104
150 HB2 CYS 23 HB2 CYS 23 2.995 -3.659 -1.127
151 HB3 CYS 23 HB3 CYS 23 4.216 -4.510 -0.150
152 HG CYS 23 HG CYS 23 2.968 -2.752 1.318
153 HA PRO 24 HA PRO 24 8.402 -3.416 0.780
154 HB2 PRO 24 HB2 PRO 24 10.197 -5.303 0.004
155 HB3 PRO 24 HB3 PRO 24 8.881 -5.607 1.164
156 HG2 PRO 24 HG2 PRO 24 8.973 -6.201 -1.828
157 HG3 PRO 24 HG3 PRO 24 8.358 -7.237 -0.516
158 HD2 PRO 24 HD2 PRO 24 6.659 -5.747 -2.052
159 HD3 PRO 24 HD3 PRO 24 6.342 -6.033 -0.325
160 H LYS 25 H LYS 25 8.655 -3.749 -2.789
161 HA LYS 25 HA LYS 25 11.115 -2.335 -3.011
162 HB2 LYS 25 HB2 LYS 25 8.990 -2.728 -5.111
163 HB3 LYS 25 HB3 LYS 25 10.638 -2.102 -5.352
164 HG2 LYS 25 HG2 LYS 25 11.520 -4.263 -4.390
165 HG3 LYS 25 HG3 LYS 25 9.850 -4.877 -4.377
166 HD2 LYS 25 HD2 LYS 25 10.955 -5.636 -6.411
167 HD3 LYS 25 HD3 LYS 25 9.723 -4.427 -6.845
168 HE2 LYS 25 HE2 LYS 25 11.809 -4.041 -8.088
169 HE3 LYS 25 HE3 LYS 25 11.482 -2.691 -6.974
170 HZ1 LYS 25 HZ1 LYS 25 13.326 -4.912 -6.477
171 HZ2 LYS 25 HZ2 LYS 25 13.751 -3.378 -6.909
172 HZ3 LYS 25 HZ3 LYS 25 13.028 -3.654 -5.452
173 H CYS 26 H CYS 26 7.792 -1.286 -2.447
174 HA CYS 26 HA CYS 26 7.877 1.258 -3.597
175 HB2 CYS 26 HB2 CYS 26 6.335 0.137 -1.242
176 HB3 CYS 26 HB3 CYS 26 6.104 1.771 -1.908
177 HG CYS 26 HG CYS 26 4.175 0.227 -2.647
178 H SER 27 H SER 27 9.083 -0.071 -0.495
179 HA SER 27 HA SER 27 9.501 2.328 0.898
180 HB2 SER 27 HB2 SER 27 11.015 -0.299 1.072
181 HB3 SER 27 HB3 SER 27 11.056 1.024 2.261
182 HG SER 27 HG SER 27 9.554 -0.618 2.812
183 H ALA 28 H ALA 28 11.468 0.515 -1.522
184 HA ALA 28 HA ALA 28 13.849 2.034 -1.170
185 HB1 ALA 28 HB1 ALA 28 12.880 0.496 -3.604
186 HB2 ALA 28 HB2 ALA 28 14.518 1.142 -3.347
187 HB3 ALA 28 HB3 ALA 28 13.898 -0.155 -2.297
188 H LEU 29 H LEU 29 14.430 3.955 -2.215
189 HA LEU 29 HA LEU 29 12.257 5.423 -3.482
190 HB2 LEU 29 HB2 LEU 29 14.724 6.109 -1.964
191 HB3 LEU 29 HB3 LEU 29 14.251 7.211 -3.277
192 HG LEU 29 HG LEU 29 11.943 7.303 -2.271
193 HD11 LEU 29 1HD1 LEU 29 13.267 5.861 0.044
194 HD12 LEU 29 2HD1 LEU 29 11.645 6.593 0.051
195 HD13 LEU 29 3HD1 LEU 29 11.992 5.206 -1.009
196 HD21 LEU 29 3HD2 LEU 29 14.261 8.144 -0.485
197 HD22 LEU 29 1HD2 LEU 29 13.622 9.062 -1.869
198 HD23 LEU 29 2HD2 LEU 29 12.610 8.806 -0.427
199 H GLN 30 H GLN 30 14.154 3.302 -4.841
200 HA GLN 30 HA GLN 30 15.744 4.555 -6.730
201 HB2 GLN 30 HB2 GLN 30 14.132 1.968 -6.924
202 HB3 GLN 30 HB3 GLN 30 15.471 2.433 -7.998
203 HG2 GLN 30 HG2 GLN 30 17.008 2.495 -6.066
204 HG3 GLN 30 HG3 GLN 30 15.680 2.043 -4.982
205 HE21 GLN 30 2HE2 GLN 30 18.252 0.642 -5.599
206 HE22 GLN 30 1HE2 GLN 30 17.792 -0.954 -6.146
207 H TYR 31 H TYR 31 12.262 3.661 -6.786
208 HA TYR 31 HA TYR 31 11.720 4.255 -9.464
209 HB2 TYR 31 HB2 TYR 31 10.246 2.865 -8.103
210 HB3 TYR 31 HB3 TYR 31 10.013 4.173 -6.940
211 HD1 TYR 31 HD1 TYR 31 9.443 3.308 -10.542
212 HD2 TYR 31 HD2 TYR 31 8.216 5.645 -7.148
213 HE1 TYR 31 HE1 TYR 31 7.461 4.096 -11.808
214 HE2 TYR 31 HE2 TYR 31 6.228 6.432 -8.396
215 HH TYR 31 HH TYR 31 5.568 5.398 -11.770
216 H ARG 32 H ARG 32 11.588 6.277 -6.468
217 HA ARG 32 HA ARG 32 10.373 8.526 -7.645
218 HB2 ARG 32 HB2 ARG 32 12.173 8.348 -5.203
219 HB3 ARG 32 HB3 ARG 32 11.214 9.764 -5.708
220 HG2 ARG 32 HG2 ARG 32 9.162 8.277 -5.699
221 HG3 ARG 32 HG3 ARG 32 10.163 7.004 -4.971
222 HD2 ARG 32 HD2 ARG 32 10.695 8.614 -3.096
223 HD3 ARG 32 HD3 ARG 32 9.522 9.741 -3.804
224 HE ARG 32 HE ARG 32 8.233 7.252 -3.543
225 HH11 ARG 32 2HH1 ARG 32 9.645 9.728 -1.437
226 HH12 ARG 32 1HH1 ARG 32 8.603 9.346 -0.085
227 HH21 ARG 32 2HH2 ARG 32 6.881 6.758 -1.767
228 HH22 ARG 32 1HH2 ARG 32 7.029 7.656 -0.272
229 H ASN 33 H ASN 33 13.798 7.555 -7.243
230 HA ASN 33 HA ASN 33 14.958 9.963 -8.112
231 HB2 ASN 33 HB2 ASN 33 16.003 7.100 -8.307
232 HB3 ASN 33 HB3 ASN 33 16.966 8.566 -8.573
233 HD21 ASN 33 1HD2 ASN 33 17.225 6.392 -6.513
234 HD22 ASN 33 2HD2 ASN 33 17.186 7.215 -4.969
235 H GLY 34 H GLY 34 15.832 10.547 -10.160
236 HA2 GLY 34 HA2 GLY 34 16.264 10.292 -12.395
237 HA3 GLY 34 HA3 GLY 34 15.223 8.866 -12.451
238 H PHE 35 H PHE 35 13.552 11.320 -10.730
239 HA PHE 35 HA PHE 35 12.092 12.031 -13.177
240 HB2 PHE 35 HB2 PHE 35 11.164 11.992 -10.338
241 HB3 PHE 35 HB3 PHE 35 10.380 12.958 -11.599
242 HD1 PHE 35 HD2 PHE 35 9.361 11.920 -13.569
243 HD2 PHE 35 HD1 PHE 35 10.968 9.531 -10.379
244 HE1 PHE 35 HE2 PHE 35 8.143 9.941 -14.433
245 HE2 PHE 35 HE1 PHE 35 9.738 7.560 -11.237
246 HZ PHE 35 HZ PHE 35 8.330 7.761 -13.263
247 H TYR 36 H TYR 36 11.634 14.050 -13.747
248 HA TYR 36 HA TYR 36 13.650 15.949 -13.425
249 HB2 TYR 36 HB2 TYR 36 12.333 15.718 -15.447
250 HB3 TYR 36 HB3 TYR 36 10.827 15.969 -14.561
251 HD1 TYR 36 HD1 TYR 36 14.092 17.848 -14.788
252 HD2 TYR 36 HD2 TYR 36 9.802 17.945 -15.081
253 HE1 TYR 36 HE1 TYR 36 14.185 20.278 -15.278
254 HE2 TYR 36 HE2 TYR 36 9.888 20.370 -15.580
255 HH TYR 36 HH TYR 36 12.971 22.180 -15.749
256 H LEU 37 H LEU 37 10.298 15.997 -11.922
257 HA LEU 37 HA LEU 37 11.522 17.902 -10.028
258 HB2 LEU 37 HB2 LEU 37 8.730 18.148 -11.159
259 HB3 LEU 37 HB3 LEU 37 9.363 19.054 -9.778
260 HG LEU 37 HG LEU 37 10.538 19.155 -12.586
261 HD11 LEU 37 1HD1 LEU 37 8.718 21.113 -11.116
262 HD12 LEU 37 2HD1 LEU 37 9.435 21.361 -12.725
263 HD13 LEU 37 3HD1 LEU 37 8.232 20.074 -12.477
264 HD21 LEU 37 3HD2 LEU 37 10.986 20.867 -10.099
265 HD22 LEU 37 1HD2 LEU 37 12.158 19.729 -10.806
266 HD23 LEU 37 2HD2 LEU 37 11.680 21.182 -11.705
267 H LEU 38 H LEU 38 11.437 17.159 -8.045
268 HA LEU 38 HA LEU 38 9.935 14.875 -7.283
269 HB2 LEU 38 HB2 LEU 38 11.485 16.874 -5.646
270 HB3 LEU 38 HB3 LEU 38 10.706 15.418 -5.006
271 HG LEU 38 HG LEU 38 12.862 15.427 -7.159
272 HD11 LEU 38 1HD1 LEU 38 12.958 14.720 -4.193
273 HD12 LEU 38 2HD1 LEU 38 14.299 14.534 -5.349
274 HD13 LEU 38 3HD1 LEU 38 13.691 16.156 -4.945
275 HD21 LEU 38 3HD2 LEU 38 11.529 13.170 -5.592
276 HD22 LEU 38 1HD2 LEU 38 11.385 13.463 -7.343
277 HD23 LEU 38 2HD2 LEU 38 12.945 12.978 -6.650
278 H LYS 39 H LYS 39 9.519 18.370 -6.995
279 HA LYS 39 HA LYS 39 7.414 18.474 -5.167
280 HB2 LYS 39 HB2 LYS 39 8.180 20.350 -7.447
281 HB3 LYS 39 HB3 LYS 39 7.018 20.725 -6.159
282 HG2 LYS 39 HG2 LYS 39 8.794 20.439 -4.459
283 HG3 LYS 39 HG3 LYS 39 9.971 20.092 -5.751
284 HD2 LYS 39 HD2 LYS 39 9.554 22.313 -6.745
285 HD3 LYS 39 HD3 LYS 39 8.337 22.658 -5.496
286 HE2 LYS 39 HE2 LYS 39 10.065 22.449 -3.746
287 HE3 LYS 39 HE3 LYS 39 11.286 22.095 -4.986
288 HZ1 LYS 39 HZ1 LYS 39 10.870 24.251 -5.919
289 HZ2 LYS 39 HZ2 LYS 39 11.314 24.387 -4.336
290 HZ3 LYS 39 HZ3 LYS 39 9.734 24.577 -4.769
291 H TYR 40 H TYR 40 7.410 17.571 -8.626
292 HA TYR 40 HA TYR 40 4.779 18.377 -9.238
293 HB2 TYR 40 HB2 TYR 40 6.489 17.854 -10.934
294 HB3 TYR 40 HB3 TYR 40 6.420 16.151 -10.469
295 HD1 TYR 40 HD1 TYR 40 4.355 18.969 -11.771
296 HD2 TYR 40 HD2 TYR 40 4.817 14.718 -11.442
297 HE1 TYR 40 HE1 TYR 40 2.484 18.660 -13.370
298 HE2 TYR 40 HE2 TYR 40 2.947 14.383 -13.037
299 HH TYR 40 HH TYR 40 1.186 17.146 -14.510
300 H ASP 41 H ASP 41 2.836 17.545 -8.963
301 HA ASP 41 HA ASP 41 2.524 15.541 -6.932
302 HB2 ASP 41 HB2 ASP 41 1.080 17.576 -7.059
303 HB3 ASP 41 HB3 ASP 41 0.418 16.982 -8.594
304 H GLU 42 H GLU 42 2.406 13.548 -7.164
305 HA GLU 42 HA GLU 42 1.133 12.232 -9.405
306 HB2 GLU 42 HB2 GLU 42 4.030 11.775 -8.641
307 HB3 GLU 42 HB3 GLU 42 3.060 10.558 -9.487
308 HG2 GLU 42 HG2 GLU 42 3.350 13.376 -10.556
309 HG3 GLU 42 HG3 GLU 42 4.516 12.098 -10.924
310 H GLU 43 H GLU 43 1.486 9.682 -8.766
311 HA GLU 43 HA GLU 43 0.034 9.236 -6.420
312 HB2 GLU 43 HB2 GLU 43 0.009 7.705 -8.355
313 HB3 GLU 43 HB3 GLU 43 1.727 7.342 -8.105
314 HG2 GLU 43 HG2 GLU 43 0.293 5.571 -7.167
315 HG3 GLU 43 HG3 GLU 43 1.226 6.375 -5.896
316 H TRP 44 H TRP 44 3.591 8.996 -7.145
317 HA TRP 44 HA TRP 44 4.245 7.905 -4.590
318 HB2 TRP 44 HB2 TRP 44 6.513 8.293 -5.025
319 HB3 TRP 44 HB3 TRP 44 5.779 7.632 -6.481
320 HD1 TRP 44 HD1 TRP 44 7.413 10.776 -5.099
321 HE1 TRP 44 HE1 TRP 44 8.171 12.270 -7.017
322 HE3 TRP 44 HE3 TRP 44 5.201 8.274 -8.971
323 HZ2 TRP 44 HZ2 TRP 44 7.901 12.342 -9.905
324 HZ3 TRP 44 HZ3 TRP 44 5.491 9.064 -11.291
325 HH2 TRP 44 HH2 TRP 44 6.837 11.089 -11.773
326 H TYR 45 H TYR 45 5.404 8.927 -2.851
327 HA TYR 45 HA TYR 45 4.232 11.474 -2.205
328 HB2 TYR 45 HB2 TYR 45 6.227 9.751 -0.693
329 HB3 TYR 45 HB3 TYR 45 5.537 11.269 -0.104
330 HD1 TYR 45 HD1 TYR 45 4.710 7.774 -1.093
331 HD2 TYR 45 HD2 TYR 45 3.325 11.394 0.768
332 HE1 TYR 45 HE1 TYR 45 2.712 6.571 -0.256
333 HE2 TYR 45 HE2 TYR 45 1.323 10.201 1.614
334 HH TYR 45 HH TYR 45 0.761 6.718 0.941
335 HA PRO 46 HA PRO 46 7.495 13.836 -4.055
336 HB2 PRO 46 HB2 PRO 46 6.287 15.942 -2.268
337 HB3 PRO 46 HB3 PRO 46 6.710 16.065 -4.006
338 HG2 PRO 46 HG2 PRO 46 4.133 15.739 -3.273
339 HG3 PRO 46 HG3 PRO 46 4.800 14.761 -4.627
340 HD2 PRO 46 HD2 PRO 46 4.419 13.939 -1.735
341 HD3 PRO 46 HD3 PRO 46 4.000 13.052 -3.236
342 H GLU 47 H GLU 47 6.972 13.808 -0.523
343 HA GLU 47 HA GLU 47 9.523 14.976 0.065
344 HB2 GLU 47 HB2 GLU 47 7.622 15.071 1.684
345 HB3 GLU 47 HB3 GLU 47 7.654 13.302 1.808
346 HG2 GLU 47 HG2 GLU 47 9.978 13.399 2.655
347 HG3 GLU 47 HG3 GLU 47 9.970 15.164 2.488
348 H GLU 48 H GLU 48 11.470 13.871 0.110
349 HA GLU 48 HA GLU 48 11.306 10.962 -0.242
350 HB2 GLU 48 HB2 GLU 48 13.524 12.899 -0.839
351 HB3 GLU 48 HB3 GLU 48 13.721 11.136 -0.840
352 HG2 GLU 48 HG2 GLU 48 11.910 10.997 -2.566
353 HG3 GLU 48 HG3 GLU 48 11.880 12.775 -2.626
354 H LEU 49 H LEU 49 11.971 9.619 1.255
355 HA LEU 49 HA LEU 49 12.587 10.446 3.863
356 HB2 LEU 49 HB2 LEU 49 13.080 7.744 2.568
357 HB3 LEU 49 HB3 LEU 49 12.956 8.091 4.303
358 HG LEU 49 HG LEU 49 10.729 8.437 2.242
359 HD11 LEU 49 1HD1 LEU 49 11.124 6.405 4.476
360 HD12 LEU 49 2HD1 LEU 49 9.700 6.526 3.415
361 HD13 LEU 49 3HD1 LEU 49 11.281 6.082 2.734
362 HD21 LEU 49 3HD2 LEU 49 10.737 8.779 5.273
363 HD22 LEU 49 1HD2 LEU 49 10.510 10.072 4.069
364 HD23 LEU 49 2HD2 LEU 49 9.287 8.797 4.241
365 H LEU 50 H LEU 50 14.681 9.208 1.177
366 HA LEU 50 HA LEU 50 17.037 8.996 2.688
367 HB2 LEU 50 HB2 LEU 50 16.633 9.451 -0.284
368 HB3 LEU 50 HB3 LEU 50 18.193 9.102 0.483
369 HG LEU 50 HG LEU 50 15.762 7.273 0.667
370 HD11 LEU 50 1HD1 LEU 50 18.246 7.100 -1.091
371 HD12 LEU 50 2HD1 LEU 50 16.961 5.874 -0.976
372 HD13 LEU 50 3HD1 LEU 50 16.603 7.478 -1.655
373 HD21 LEU 50 3HD2 LEU 50 18.699 6.885 1.381
374 HD22 LEU 50 1HD2 LEU 50 17.342 6.982 2.529
375 HD23 LEU 50 2HD2 LEU 50 17.458 5.611 1.408
376 H THR 51 H THR 51 15.769 11.763 0.686
377 HA THR 51 HA THR 51 18.126 13.294 1.439
378 HB THR 51 HB THR 51 17.145 15.025 0.017
379 HG1 THR 51 HG1 THR 51 15.388 14.389 -1.278
380 HG21 THR 51 1HG2 THR 51 17.344 12.267 -1.265
381 HG22 THR 51 2HG2 THR 51 17.547 13.827 -2.094
382 HG23 THR 51 3HG2 THR 51 18.727 13.312 -0.866
383 H ASP 52 H ASP 52 17.832 13.352 3.755
384 HA ASP 52 HA ASP 52 15.403 14.744 4.616
385 HB2 ASP 52 HB2 ASP 52 16.034 12.829 5.986
386 HB3 ASP 52 HB3 ASP 52 17.646 13.519 6.257
387 H GLY 53 H GLY 53 15.453 16.813 4.288
388 HA2 GLY 53 HA2 GLY 53 15.939 18.944 4.782
389 HA3 GLY 53 HA3 GLY 53 17.508 18.454 5.438
390 H GLU 54 H GLU 54 17.698 16.864 2.566
391 HA GLU 54 HA GLU 54 19.243 18.959 1.377
392 HB2 GLU 54 HB2 GLU 54 18.539 16.266 0.245
393 HB3 GLU 54 HB3 GLU 54 19.706 17.433 -0.401
394 HG2 GLU 54 HG2 GLU 54 20.948 17.337 1.765
395 HG3 GLU 54 HG3 GLU 54 19.827 16.083 2.327
396 H ASP 55 H ASP 55 16.029 17.496 0.698
397 HA ASP 55 HA ASP 55 15.594 18.930 -1.686
398 HB2 ASP 55 HB2 ASP 55 13.615 17.730 0.258
399 HB3 ASP 55 HB3 ASP 55 13.186 18.498 -1.278
400 H ASP 56 H ASP 56 14.837 19.691 1.760
401 HA ASP 56 HA ASP 56 13.949 21.498 2.744
402 HB2 ASP 56 HB2 ASP 56 15.656 22.999 0.810
403 HB3 ASP 56 HB3 ASP 56 14.753 23.704 2.162
404 H VAL 57 H VAL 57 12.080 20.290 1.155
405 HA VAL 57 HA VAL 57 10.682 22.611 -0.002
406 HB VAL 57 HB VAL 57 10.072 19.642 -0.220
407 HG11 VAL 57 1HG1 VAL 57 8.771 22.089 -1.497
408 HG12 VAL 57 2HG1 VAL 57 8.392 20.395 -1.887
409 HG13 VAL 57 3HG1 VAL 57 8.031 21.034 -0.270
410 HG21 VAL 57 3HG2 VAL 57 11.148 21.666 -2.229
411 HG22 VAL 57 1HG2 VAL 57 12.069 20.336 -1.498
412 HG23 VAL 57 2HG2 VAL 57 10.713 19.978 -2.591
413 H PHE 58 H PHE 58 10.397 19.690 2.106
414 HA PHE 58 HA PHE 58 7.932 20.408 3.288
415 HB2 PHE 58 HB2 PHE 58 9.867 18.197 3.740
416 HB3 PHE 58 HB3 PHE 58 8.484 18.509 4.814
417 HD1 PHE 58 HD1 PHE 58 9.376 17.982 1.211
418 HD2 PHE 58 HD2 PHE 58 6.269 17.986 4.185
419 HE1 PHE 58 HE1 PHE 58 7.761 17.138 -0.472
420 HE2 PHE 58 HE2 PHE 58 4.661 17.128 2.505
421 HZ PHE 58 HZ PHE 58 5.403 16.715 0.172
422 H ASP 59 H ASP 59 11.257 21.112 4.473
423 HA ASP 59 HA ASP 59 10.260 21.830 7.036
424 HB2 ASP 59 HB2 ASP 59 12.754 22.887 5.714
425 HB3 ASP 59 HB3 ASP 59 12.311 22.990 7.430
426 HA PRO 60 HA PRO 60 9.633 26.219 5.635
427 HB2 PRO 60 HB2 PRO 60 9.669 27.108 3.070
428 HB3 PRO 60 HB3 PRO 60 11.172 26.894 4.032
429 HG2 PRO 60 HG2 PRO 60 9.924 24.926 2.083
430 HG3 PRO 60 HG3 PRO 60 11.625 25.498 2.123
431 HD2 PRO 60 HD2 PRO 60 10.882 23.144 3.284
432 HD3 PRO 60 HD3 PRO 60 12.102 24.203 4.050
433 H ASP 61 H ASP 61 8.102 23.584 3.928
434 HA ASP 61 HA ASP 61 6.010 23.192 3.275
435 HB2 ASP 61 HB2 ASP 61 5.273 25.039 5.536
436 HB3 ASP 61 HB3 ASP 61 4.163 23.982 4.638
437 H LEU 62 H LEU 62 7.254 24.848 1.524
438 HA LEU 62 HA LEU 62 5.226 26.864 0.848
439 HB2 LEU 62 HB2 LEU 62 7.990 26.375 -0.344
440 HB3 LEU 62 HB3 LEU 62 6.840 27.617 -0.882
441 HG LEU 62 HG LEU 62 7.985 27.414 1.934
442 HD11 LEU 62 1HD1 LEU 62 8.709 29.268 -0.375
443 HD12 LEU 62 2HD1 LEU 62 9.359 29.365 1.279
444 HD13 LEU 62 3HD1 LEU 62 9.724 27.953 0.262
445 HD21 LEU 62 3HD2 LEU 62 6.362 29.582 0.538
446 HD22 LEU 62 1HD2 LEU 62 5.810 28.550 1.879
447 HD23 LEU 62 2HD2 LEU 62 7.104 29.733 2.147
448 H ASP 63 H ASP 63 3.784 26.294 -0.734
449 HA ASP 63 HA ASP 63 4.464 23.987 -2.436
450 HB2 ASP 63 HB2 ASP 63 2.433 23.532 -1.137
451 HB3 ASP 63 HB3 ASP 63 1.751 25.109 -1.578
452 H MET 64 H MET 64 5.019 24.780 -4.494
453 HA MET 64 HA MET 64 3.799 27.336 -5.307
454 HB2 MET 64 HB2 MET 64 6.579 26.317 -5.979
455 HB3 MET 64 HB3 MET 64 5.808 27.760 -6.675
456 HG2 MET 64 HG2 MET 64 5.651 28.793 -4.480
457 HG3 MET 64 HG3 MET 64 6.262 27.330 -3.698
458 HE1 MET 64 HE1 MET 64 8.638 26.336 -5.396
459 HE2 MET 64 HE2 MET 64 9.989 27.193 -4.621
460 HE3 MET 64 HE3 MET 64 8.668 26.533 -3.629
461 H GLU 65 H GLU 65 2.237 26.732 -6.635
462 HA GLU 65 HA GLU 65 2.090 24.317 -8.053
463 HB2 GLU 65 HB2 GLU 65 0.574 26.903 -8.491
464 HB3 GLU 65 HB3 GLU 65 0.195 25.323 -9.218
465 HG2 GLU 65 HG2 GLU 65 -0.053 24.346 -6.949
466 HG3 GLU 65 HG3 GLU 65 0.270 25.939 -6.235
467 H VAL 66 H VAL 66 3.166 27.582 -9.049
468 HA VAL 66 HA VAL 66 3.303 27.102 -11.794
469 HB VAL 66 HB VAL 66 4.910 28.994 -10.059
470 HG11 VAL 66 1HG1 VAL 66 4.336 28.947 -13.054
471 HG12 VAL 66 2HG1 VAL 66 5.149 30.267 -12.180
472 HG13 VAL 66 3HG1 VAL 66 5.917 28.670 -12.285
473 HG21 VAL 66 3HG2 VAL 66 2.300 29.344 -11.598
474 HG22 VAL 66 1HG2 VAL 66 2.472 29.314 -9.826
475 HG23 VAL 66 2HG2 VAL 66 3.192 30.640 -10.765
476 H VAL 67 H VAL 67 5.777 26.617 -9.155
477 HA VAL 67 HA VAL 67 7.890 25.958 -10.899
478 HB VAL 67 HB VAL 67 7.410 25.156 -8.027
479 HG11 VAL 67 1HG1 VAL 67 9.925 25.101 -9.747
480 HG12 VAL 67 2HG1 VAL 67 9.866 24.803 -7.994
481 HG13 VAL 67 3HG1 VAL 67 9.057 23.683 -9.108
482 HG21 VAL 67 3HG2 VAL 67 9.002 27.427 -9.293
483 HG22 VAL 67 1HG2 VAL 67 7.487 27.598 -8.376
484 HG23 VAL 67 2HG2 VAL 67 8.959 27.032 -7.559
485 H PHE 68 H PHE 68 5.486 23.776 -9.167
486 HA PHE 68 HA PHE 68 6.712 21.502 -10.441
487 HB2 PHE 68 HB2 PHE 68 5.376 20.093 -9.486
488 HB3 PHE 68 HB3 PHE 68 5.712 21.287 -8.254
489 HD1 PHE 68 HD1 PHE 68 3.110 19.836 -10.437
490 HD2 PHE 68 HD2 PHE 68 3.951 22.540 -7.207
491 HE1 PHE 68 HE1 PHE 68 0.709 19.865 -9.842
492 HE2 PHE 68 HE2 PHE 68 1.547 22.569 -6.608
493 HZ PHE 68 HZ PHE 68 -0.077 21.233 -7.926
494 H GLU 69 H GLU 69 3.924 23.495 -11.428
495 HA GLU 69 HA GLU 69 3.351 21.573 -13.501
496 HB2 GLU 69 HB2 GLU 69 2.175 24.301 -13.045
497 HB3 GLU 69 HB3 GLU 69 1.646 23.100 -14.242
498 HG2 GLU 69 HG2 GLU 69 1.125 21.508 -12.433
499 HG3 GLU 69 HG3 GLU 69 1.680 22.679 -11.224
500 H THR 70 H THR 70 5.236 21.362 -14.534
501 HA THR 70 HA THR 70 6.624 23.412 -15.888
502 HB THR 70 HB THR 70 6.413 20.440 -16.458
503 HG1 THR 70 HG1 THR 70 7.066 20.962 -14.325
504 HG21 THR 70 1HG2 THR 70 8.549 22.513 -17.131
505 HG22 THR 70 2HG2 THR 70 8.653 20.768 -17.463
506 HG23 THR 70 3HG2 THR 70 7.433 21.756 -18.295
507 H GLN 71 H GLN 71 3.905 21.179 -16.659
508 HA GLN 71 HA GLN 71 3.662 21.910 -19.406
509 HB2 GLN 71 HB2 GLN 71 1.562 20.678 -17.594
510 HB3 GLN 71 HB3 GLN 71 1.550 20.687 -19.368
511 HG2 GLN 71 HG2 GLN 71 3.061 18.953 -19.491
512 HG3 GLN 71 HG3 GLN 71 3.989 19.518 -18.095
513 HE21 GLN 71 1HE2 GLN 71 3.920 18.270 -16.330
514 HE22 GLN 71 2HE2 GLN 71 2.603 17.211 -15.881
Start of MODEL 6
1 H1 GLY 1 H1 GLY 1 -13.110 -10.918 -15.097
2 H2 GLY 1 H2 GLY 1 -12.945 -9.864 -13.778
3 H3 GLY 1 H3 GLY 1 -11.814 -9.834 -15.041
4 HA2 GLY 1 HA3 GLY 1 -11.139 -10.988 -12.907
5 HA3 GLY 1 HA2 GLY 1 -12.256 -12.265 -13.443
6 H SER 2 H SER 2 -9.228 -11.999 -13.121
7 HA SER 2 HA SER 2 -8.530 -13.010 -15.791
8 HB2 SER 2 HB2 SER 2 -6.286 -12.081 -15.550
9 HB3 SER 2 HB3 SER 2 -7.497 -10.778 -15.531
10 HG SER 2 HG SER 2 -5.935 -10.567 -13.864
11 H THR 3 H THR 3 -6.922 -14.685 -15.760
12 HA THR 3 HA THR 3 -7.060 -16.268 -13.339
13 HB THR 3 HB THR 3 -5.710 -16.872 -15.960
14 HG1 THR 3 HG1 THR 3 -7.589 -18.166 -16.206
15 HG21 THR 3 1HG2 THR 3 -6.453 -18.602 -13.563
16 HG22 THR 3 2HG2 THR 3 -5.750 -19.184 -15.092
17 HG23 THR 3 3HG2 THR 3 -4.803 -18.119 -14.026
18 H ALA 4 H ALA 4 -5.988 -14.813 -11.985
19 HA ALA 4 HA ALA 4 -3.105 -14.500 -12.439
20 HB1 ALA 4 HB1 ALA 4 -4.956 -12.956 -10.563
21 HB2 ALA 4 HB2 ALA 4 -3.202 -12.715 -10.742
22 HB3 ALA 4 HB3 ALA 4 -4.294 -12.338 -12.095
23 H MET 5 H MET 5 -1.799 -15.360 -10.746
24 HA MET 5 HA MET 5 -2.882 -17.497 -9.265
25 HB2 MET 5 HB2 MET 5 -0.745 -17.796 -8.311
26 HB3 MET 5 HB3 MET 5 -0.460 -17.270 -9.987
27 HG2 MET 5 HG2 MET 5 -0.334 -15.486 -7.528
28 HG3 MET 5 HG3 MET 5 1.063 -16.153 -8.407
29 HE1 MET 5 HE1 MET 5 2.123 -13.796 -8.426
30 HE2 MET 5 HE2 MET 5 1.301 -12.341 -9.040
31 HE3 MET 5 HE3 MET 5 0.706 -13.145 -7.568
32 H ALA 6 H ALA 6 -3.761 -17.693 -7.434
33 HA ALA 6 HA ALA 6 -4.846 -17.272 -5.554
34 HB1 ALA 6 HB1 ALA 6 -2.482 -15.477 -4.965
35 HB2 ALA 6 HB2 ALA 6 -3.689 -16.050 -3.790
36 HB3 ALA 6 HB3 ALA 6 -2.614 -17.214 -4.600
37 H THR 7 H THR 7 -5.508 -15.595 -7.928
38 HA THR 7 HA THR 7 -6.734 -13.874 -8.554
39 HB THR 7 HB THR 7 -8.695 -13.385 -7.335
40 HG1 THR 7 HG1 THR 7 -7.773 -13.440 -5.239
41 HG21 THR 7 1HG2 THR 7 -7.935 -16.334 -7.273
42 HG22 THR 7 2HG2 THR 7 -9.592 -15.684 -7.256
43 HG23 THR 7 3HG2 THR 7 -8.559 -15.447 -8.685
44 H THR 8 H THR 8 -4.225 -13.023 -7.814
45 HA THR 8 HA THR 8 -4.383 -10.769 -6.067
46 HB THR 8 HB THR 8 -2.319 -11.512 -8.144
47 HG1 THR 8 HG1 THR 8 -2.639 -13.037 -6.450
48 HG21 THR 8 1HG2 THR 8 -2.216 -9.599 -5.781
49 HG22 THR 8 2HG2 THR 8 -0.850 -10.031 -6.838
50 HG23 THR 8 3HG2 THR 8 -2.239 -9.133 -7.498
51 H MET 9 H MET 9 -4.698 -8.597 -6.588
52 HA MET 9 HA MET 9 -6.140 -8.121 -9.036
53 HB2 MET 9 HB2 MET 9 -6.654 -7.025 -6.760
54 HB3 MET 9 HB3 MET 9 -5.251 -5.984 -7.099
55 HG2 MET 9 HG2 MET 9 -7.263 -4.884 -7.946
56 HG3 MET 9 HG3 MET 9 -6.278 -5.419 -9.328
57 HE1 MET 9 HE1 MET 9 -8.193 -5.165 -11.033
58 HE2 MET 9 HE2 MET 9 -9.840 -5.795 -10.792
59 HE3 MET 9 HE3 MET 9 -9.216 -4.507 -9.733
60 H GLU 10 H GLU 10 -5.317 -7.265 -10.838
61 HA GLU 10 HA GLU 10 -2.543 -7.245 -11.314
62 HB2 GLU 10 HB2 GLU 10 -4.781 -6.138 -13.017
63 HB3 GLU 10 HB3 GLU 10 -3.113 -6.484 -13.529
64 HG2 GLU 10 HG2 GLU 10 -3.450 -8.878 -12.941
65 HG3 GLU 10 HG3 GLU 10 -5.134 -8.515 -12.494
66 H GLN 11 H GLN 11 -4.740 -4.387 -10.779
67 HA GLN 11 HA GLN 11 -2.608 -2.666 -11.666
68 HB2 GLN 11 HB2 GLN 11 -3.765 -0.761 -10.772
69 HB3 GLN 11 HB3 GLN 11 -4.786 -1.720 -11.870
70 HG2 GLN 11 HG2 GLN 11 -4.964 -2.408 -8.980
71 HG3 GLN 11 HG3 GLN 11 -5.620 -0.824 -9.458
72 HE21 GLN 11 1HE2 GLN 11 -7.781 -1.147 -9.335
73 HE22 GLN 11 2HE2 GLN 11 -8.649 -2.367 -10.238
74 H GLU 12 H GLU 12 -1.538 -1.068 -10.553
75 HA GLU 12 HA GLU 12 -0.290 -2.099 -8.178
76 HB2 GLU 12 HB2 GLU 12 0.249 0.477 -9.690
77 HB3 GLU 12 HB3 GLU 12 1.288 -0.304 -8.474
78 HG2 GLU 12 HG2 GLU 12 1.447 -2.286 -10.028
79 HG3 GLU 12 HG3 GLU 12 0.622 -1.297 -11.256
80 H ILE 13 H ILE 13 -1.933 -2.091 -6.695
81 HA ILE 13 HA ILE 13 -3.285 0.363 -5.957
82 HB ILE 13 HB ILE 13 -4.498 -0.955 -4.369
83 HG12 ILE 13 2HG1 ILE 13 -4.385 -3.469 -4.590
84 HG13 ILE 13 3HG1 ILE 13 -2.802 -3.255 -5.374
85 HG21 ILE 13 1HG2 ILE 13 -4.315 -2.143 -7.175
86 HG22 ILE 13 2HG2 ILE 13 -5.704 -2.298 -6.075
87 HG23 ILE 13 3HG2 ILE 13 -5.253 -0.702 -6.721
88 HD11 ILE 13 3HD1 ILE 13 -1.955 -2.128 -3.358
89 HD12 ILE 13 1HD1 ILE 13 -3.538 -2.341 -2.574
90 HD13 ILE 13 2HD1 ILE 13 -2.553 -3.764 -2.993
91 H CYS 14 H CYS 14 -0.246 -0.798 -4.836
92 HA CYS 14 HA CYS 14 -0.611 -0.133 -2.105
93 HB2 CYS 14 HB2 CYS 14 1.340 -1.451 -2.861
94 HB3 CYS 14 HB3 CYS 14 2.011 0.038 -3.571
95 H ALA 15 H ALA 15 -0.048 1.678 -0.962
96 HA ALA 15 HA ALA 15 -1.046 4.087 -1.969
97 HB1 ALA 15 HB1 ALA 15 0.691 3.567 0.474
98 HB2 ALA 15 HB2 ALA 15 -0.242 5.047 0.146
99 HB3 ALA 15 HB3 ALA 15 -1.087 3.506 0.425
100 H HIS 16 H HIS 16 2.358 2.987 -1.452
101 HA HIS 16 HA HIS 16 3.534 5.469 -2.036
102 HB2 HIS 16 HB2 HIS 16 4.616 2.663 -2.258
103 HB3 HIS 16 HB3 HIS 16 5.571 4.141 -2.526
104 HD2 HIS 16 HD2 HIS 16 6.806 5.110 -0.367
105 HE1 HIS 16 HE1 HIS 16 4.475 3.132 2.562
106 H SER 17 H SER 17 2.622 2.725 -4.258
107 HA SER 17 HA SER 17 2.074 4.153 -6.479
108 HB2 SER 17 HB2 SER 17 4.041 3.940 -7.969
109 HB3 SER 17 HB3 SER 17 4.280 5.152 -6.688
110 HG SER 17 HG SER 17 6.082 3.770 -6.954
111 H MET 18 H MET 18 4.251 1.398 -5.595
112 HA MET 18 HA MET 18 3.340 -0.169 -7.823
113 HB2 MET 18 HB2 MET 18 5.152 -0.979 -5.556
114 HB3 MET 18 HB3 MET 18 4.938 -1.780 -7.132
115 HG2 MET 18 HG2 MET 18 5.790 0.295 -8.233
116 HG3 MET 18 HG3 MET 18 6.134 0.958 -6.617
117 HE1 MET 18 HE1 MET 18 8.601 1.397 -7.396
118 HE2 MET 18 HE2 MET 18 9.666 0.146 -8.081
119 HE3 MET 18 HE3 MET 18 8.237 0.692 -8.988
120 H THR 19 H THR 19 3.254 -2.679 -7.240
121 HA THR 19 HA THR 19 0.526 -3.014 -6.414
122 HB THR 19 HB THR 19 2.671 -5.009 -7.255
123 HG1 THR 19 HG1 THR 19 2.123 -3.420 -8.831
124 HG21 THR 19 1HG2 THR 19 -0.357 -5.267 -7.175
125 HG22 THR 19 2HG2 THR 19 0.785 -6.479 -7.804
126 HG23 THR 19 3HG2 THR 19 0.784 -6.071 -6.072
127 H PHE 20 H PHE 20 -0.017 -4.811 -4.821
128 HA PHE 20 HA PHE 20 0.946 -4.342 -2.260
129 HB2 PHE 20 HB2 PHE 20 -1.323 -5.211 -2.871
130 HB3 PHE 20 HB3 PHE 20 -0.585 -6.688 -3.535
131 HD1 PHE 20 HD2 PHE 20 -1.273 -4.778 -0.430
132 HD2 PHE 20 HD1 PHE 20 0.100 -8.482 -2.125
133 HE1 PHE 20 HE2 PHE 20 -1.404 -5.850 1.802
134 HE2 PHE 20 HE1 PHE 20 -0.029 -9.554 0.107
135 HZ PHE 20 HZ PHE 20 -0.782 -8.236 2.074
136 H GLU 21 H GLU 21 1.618 -6.881 -4.732
137 HA GLU 21 HA GLU 21 3.324 -8.525 -3.228
138 HB2 GLU 21 HB2 GLU 21 2.087 -9.133 -5.335
139 HB3 GLU 21 HB3 GLU 21 3.165 -8.044 -6.239
140 HG2 GLU 21 HG2 GLU 21 5.101 -9.380 -5.641
141 HG3 GLU 21 HG3 GLU 21 4.113 -10.404 -4.573
142 H GLU 22 H GLU 22 3.832 -5.617 -5.252
143 HA GLU 22 HA GLU 22 6.722 -5.723 -5.035
144 HB2 GLU 22 HB2 GLU 22 4.847 -3.824 -6.500
145 HB3 GLU 22 HB3 GLU 22 6.624 -3.801 -6.574
146 HG2 GLU 22 HG2 GLU 22 4.887 -6.147 -7.415
147 HG3 GLU 22 HG3 GLU 22 5.579 -4.940 -8.524
148 H CYS 23 H CYS 23 4.487 -4.889 -2.819
149 HA CYS 23 HA CYS 23 4.921 -2.263 -2.142
150 HB2 CYS 23 HB2 CYS 23 3.161 -3.672 -1.138
151 HB3 CYS 23 HB3 CYS 23 4.415 -4.518 -0.198
152 HG CYS 23 HG CYS 23 3.182 -2.790 1.317
153 HA PRO 24 HA PRO 24 8.609 -3.388 0.646
154 HB2 PRO 24 HB2 PRO 24 10.405 -5.247 -0.191
155 HB3 PRO 24 HB3 PRO 24 9.121 -5.578 0.996
156 HG2 PRO 24 HG2 PRO 24 9.149 -6.140 -2.003
157 HG3 PRO 24 HG3 PRO 24 8.576 -7.196 -0.689
158 HD2 PRO 24 HD2 PRO 24 6.825 -5.709 -2.169
159 HD3 PRO 24 HD3 PRO 24 6.552 -6.017 -0.438
160 H LYS 25 H LYS 25 8.782 -3.682 -2.931
161 HA LYS 25 HA LYS 25 11.220 -2.238 -3.197
162 HB2 LYS 25 HB2 LYS 25 9.052 -2.634 -5.250
163 HB3 LYS 25 HB3 LYS 25 10.687 -1.988 -5.523
164 HG2 LYS 25 HG2 LYS 25 11.614 -4.148 -4.604
165 HG3 LYS 25 HG3 LYS 25 9.952 -4.781 -4.559
166 HD2 LYS 25 HD2 LYS 25 11.017 -5.507 -6.625
167 HD3 LYS 25 HD3 LYS 25 9.762 -4.307 -7.018
168 HE2 LYS 25 HE2 LYS 25 11.814 -3.885 -8.305
169 HE3 LYS 25 HE3 LYS 25 11.499 -2.551 -7.170
170 HZ1 LYS 25 HZ1 LYS 25 13.378 -4.756 -6.739
171 HZ2 LYS 25 HZ2 LYS 25 13.776 -3.212 -7.165
172 HZ3 LYS 25 HZ3 LYS 25 13.091 -3.511 -5.694
173 H CYS 26 H CYS 26 7.900 -1.232 -2.544
174 HA CYS 26 HA CYS 26 7.931 1.324 -3.669
175 HB2 CYS 26 HB2 CYS 26 6.456 0.162 -1.290
176 HB3 CYS 26 HB3 CYS 26 6.192 1.800 -1.934
177 HG CYS 26 HG CYS 26 4.264 0.243 -2.644
178 H SER 27 H SER 27 9.223 -0.022 -0.610
179 HA SER 27 HA SER 27 9.648 2.367 0.798
180 HB2 SER 27 HB2 SER 27 11.193 -0.246 0.909
181 HB3 SER 27 HB3 SER 27 11.248 1.066 2.110
182 HG SER 27 HG SER 27 9.778 -0.598 2.680
183 H ALA 28 H ALA 28 11.577 0.601 -1.686
184 HA ALA 28 HA ALA 28 13.949 2.142 -1.374
185 HB1 ALA 28 HB1 ALA 28 12.940 0.618 -3.800
186 HB2 ALA 28 HB2 ALA 28 14.577 1.279 -3.575
187 HB3 ALA 28 HB3 ALA 28 13.996 -0.035 -2.525
188 H LEU 29 H LEU 29 14.485 4.080 -2.413
189 HA LEU 29 HA LEU 29 12.266 5.536 -3.613
190 HB2 LEU 29 HB2 LEU 29 14.761 6.234 -2.145
191 HB3 LEU 29 HB3 LEU 29 14.245 7.345 -3.436
192 HG LEU 29 HG LEU 29 11.960 7.400 -2.376
193 HD11 LEU 29 1HD1 LEU 29 13.354 5.949 -0.107
194 HD12 LEU 29 2HD1 LEU 29 11.725 6.663 -0.055
195 HD13 LEU 29 3HD1 LEU 29 12.062 5.291 -1.137
196 HD21 LEU 29 3HD2 LEU 29 14.310 8.249 -0.635
197 HD22 LEU 29 1HD2 LEU 29 13.629 9.174 -1.995
198 HD23 LEU 29 2HD2 LEU 29 12.654 8.892 -0.532
199 H GLN 30 H GLN 30 14.269 3.451 -5.055
200 HA GLN 30 HA GLN 30 15.648 5.002 -6.952
201 HB2 GLN 30 HB2 GLN 30 14.720 2.153 -7.198
202 HB3 GLN 30 HB3 GLN 30 15.877 2.996 -8.249
203 HG2 GLN 30 HG2 GLN 30 16.199 2.508 -5.258
204 HG3 GLN 30 HG3 GLN 30 17.054 1.653 -6.554
205 HE21 GLN 30 2HE2 GLN 30 17.311 4.142 -4.330
206 HE22 GLN 30 1HE2 GLN 30 18.563 5.090 -5.101
207 H TYR 31 H TYR 31 12.305 3.757 -6.983
208 HA TYR 31 HA TYR 31 11.754 4.323 -9.667
209 HB2 TYR 31 HB2 TYR 31 10.314 2.901 -8.268
210 HB3 TYR 31 HB3 TYR 31 9.965 4.261 -7.196
211 HD1 TYR 31 HD1 TYR 31 9.515 2.997 -10.675
212 HD2 TYR 31 HD2 TYR 31 8.228 5.799 -7.677
213 HE1 TYR 31 HE1 TYR 31 7.570 3.608 -12.088
214 HE2 TYR 31 HE2 TYR 31 6.278 6.414 -9.078
215 HH TYR 31 HH TYR 31 5.688 4.905 -12.282
216 H ARG 32 H ARG 32 11.547 6.344 -6.665
217 HA ARG 32 HA ARG 32 10.240 8.555 -7.812
218 HB2 ARG 32 HB2 ARG 32 12.115 8.460 -5.422
219 HB3 ARG 32 HB3 ARG 32 11.078 9.825 -5.900
220 HG2 ARG 32 HG2 ARG 32 9.089 8.262 -5.771
221 HG3 ARG 32 HG3 ARG 32 10.179 7.037 -5.083
222 HD2 ARG 32 HD2 ARG 32 10.784 8.735 -3.294
223 HD3 ARG 32 HD3 ARG 32 9.487 9.765 -3.926
224 HE ARG 32 HE ARG 32 8.483 7.134 -3.435
225 HH11 ARG 32 2HH1 ARG 32 9.572 10.035 -1.723
226 HH12 ARG 32 1HH1 ARG 32 8.619 9.704 -0.294
227 HH21 ARG 32 2HH2 ARG 32 7.245 6.701 -1.556
228 HH22 ARG 32 1HH2 ARG 32 7.294 7.805 -0.199
229 H ASN 33 H ASN 33 13.721 7.684 -7.455
230 HA ASN 33 HA ASN 33 14.736 10.158 -8.375
231 HB2 ASN 33 HB2 ASN 33 16.020 7.403 -8.487
232 HB3 ASN 33 HB3 ASN 33 16.841 8.951 -8.780
233 HD21 ASN 33 1HD2 ASN 33 16.606 6.626 -6.523
234 HD22 ASN 33 2HD2 ASN 33 16.733 7.570 -5.055
235 H GLY 34 H GLY 34 15.694 10.660 -10.420
236 HA2 GLY 34 HA2 GLY 34 16.121 10.334 -12.658
237 HA3 GLY 34 HA3 GLY 34 15.059 8.918 -12.668
238 H PHE 35 H PHE 35 13.527 11.468 -10.965
239 HA PHE 35 HA PHE 35 11.995 12.199 -13.365
240 HB2 PHE 35 HB2 PHE 35 11.111 12.103 -10.511
241 HB3 PHE 35 HB3 PHE 35 10.313 13.098 -11.738
242 HD1 PHE 35 HD2 PHE 35 9.137 12.131 -13.619
243 HD2 PHE 35 HD1 PHE 35 11.007 9.615 -10.678
244 HE1 PHE 35 HE2 PHE 35 7.871 10.180 -14.476
245 HE2 PHE 35 HE1 PHE 35 9.722 7.675 -11.520
246 HZ PHE 35 HZ PHE 35 8.157 7.952 -13.418
247 H TYR 36 H TYR 36 11.569 14.270 -13.844
248 HA TYR 36 HA TYR 36 13.645 16.094 -13.495
249 HB2 TYR 36 HB2 TYR 36 12.218 15.930 -15.485
250 HB3 TYR 36 HB3 TYR 36 10.780 16.300 -14.526
251 HD1 TYR 36 HD1 TYR 36 14.189 17.857 -14.970
252 HD2 TYR 36 HD2 TYR 36 9.924 18.398 -14.902
253 HE1 TYR 36 HE1 TYR 36 14.494 20.272 -15.439
254 HE2 TYR 36 HE2 TYR 36 10.216 20.811 -15.372
255 HH TYR 36 HH TYR 36 13.453 22.297 -15.783
256 H LEU 37 H LEU 37 10.320 16.163 -11.921
257 HA LEU 37 HA LEU 37 11.610 17.979 -9.993
258 HB2 LEU 37 HB2 LEU 37 8.824 18.341 -11.119
259 HB3 LEU 37 HB3 LEU 37 9.476 19.184 -9.706
260 HG LEU 37 HG LEU 37 10.665 19.338 -12.505
261 HD11 LEU 37 1HD1 LEU 37 8.924 21.315 -10.968
262 HD12 LEU 37 2HD1 LEU 37 9.658 21.594 -12.563
263 HD13 LEU 37 3HD1 LEU 37 8.401 20.351 -12.371
264 HD21 LEU 37 3HD2 LEU 37 11.182 20.941 -9.960
265 HD22 LEU 37 1HD2 LEU 37 12.309 19.789 -10.714
266 HD23 LEU 37 2HD2 LEU 37 11.882 21.290 -11.557
267 H LEU 38 H LEU 38 11.437 17.243 -8.002
268 HA LEU 38 HA LEU 38 9.988 14.922 -7.298
269 HB2 LEU 38 HB2 LEU 38 11.325 17.036 -5.595
270 HB3 LEU 38 HB3 LEU 38 10.597 15.548 -4.972
271 HG LEU 38 HG LEU 38 12.887 15.658 -6.978
272 HD11 LEU 38 1HD1 LEU 38 12.818 14.978 -4.003
273 HD12 LEU 38 2HD1 LEU 38 14.243 14.865 -5.062
274 HD13 LEU 38 3HD1 LEU 38 13.516 16.451 -4.718
275 HD21 LEU 38 3HD2 LEU 38 11.583 13.338 -5.478
276 HD22 LEU 38 1HD2 LEU 38 11.541 13.610 -7.238
277 HD23 LEU 38 2HD2 LEU 38 13.075 13.223 -6.437
278 H LYS 39 H LYS 39 9.454 18.404 -6.995
279 HA LYS 39 HA LYS 39 7.290 18.455 -5.244
280 HB2 LYS 39 HB2 LYS 39 8.126 20.350 -7.488
281 HB3 LYS 39 HB3 LYS 39 6.930 20.718 -6.230
282 HG2 LYS 39 HG2 LYS 39 8.662 20.401 -4.483
283 HG3 LYS 39 HG3 LYS 39 9.872 20.083 -5.752
284 HD2 LYS 39 HD2 LYS 39 9.458 22.319 -6.719
285 HD3 LYS 39 HD3 LYS 39 8.221 22.635 -5.482
286 HE2 LYS 39 HE2 LYS 39 9.926 22.399 -3.711
287 HE3 LYS 39 HE3 LYS 39 11.165 22.080 -4.941
288 HZ1 LYS 39 HZ1 LYS 39 9.593 24.548 -4.691
289 HZ2 LYS 39 HZ2 LYS 39 10.742 24.252 -5.837
290 HZ3 LYS 39 HZ3 LYS 39 11.170 24.357 -4.247
291 H TYR 40 H TYR 40 7.401 17.602 -8.706
292 HA TYR 40 HA TYR 40 4.785 18.372 -9.406
293 HB2 TYR 40 HB2 TYR 40 6.626 17.897 -10.993
294 HB3 TYR 40 HB3 TYR 40 6.569 16.190 -10.535
295 HD1 TYR 40 HD1 TYR 40 4.404 18.949 -11.828
296 HD2 TYR 40 HD2 TYR 40 5.210 14.732 -11.772
297 HE1 TYR 40 HE1 TYR 40 2.630 18.599 -13.525
298 HE2 TYR 40 HE2 TYR 40 3.487 14.373 -13.518
299 HH TYR 40 HH TYR 40 1.567 17.087 -14.879
300 H ASP 41 H ASP 41 2.830 17.478 -9.075
301 HA ASP 41 HA ASP 41 2.695 15.334 -7.146
302 HB2 ASP 41 HB2 ASP 41 1.267 17.298 -6.851
303 HB3 ASP 41 HB3 ASP 41 0.491 16.981 -8.416
304 H GLU 42 H GLU 42 2.475 13.386 -7.414
305 HA GLU 42 HA GLU 42 1.051 12.174 -9.614
306 HB2 GLU 42 HB2 GLU 42 3.977 11.605 -9.074
307 HB3 GLU 42 HB3 GLU 42 2.898 10.486 -9.927
308 HG2 GLU 42 HG2 GLU 42 3.442 13.352 -10.788
309 HG3 GLU 42 HG3 GLU 42 4.202 11.910 -11.481
310 H GLU 43 H GLU 43 1.575 9.554 -9.015
311 HA GLU 43 HA GLU 43 0.070 9.012 -6.750
312 HB2 GLU 43 HB2 GLU 43 2.075 7.235 -8.216
313 HB3 GLU 43 HB3 GLU 43 0.824 6.681 -7.085
314 HG2 GLU 43 HG2 GLU 43 -0.921 7.632 -8.592
315 HG3 GLU 43 HG3 GLU 43 0.350 8.079 -9.748
316 H TRP 44 H TRP 44 3.667 8.946 -7.256
317 HA TRP 44 HA TRP 44 4.214 7.894 -4.669
318 HB2 TRP 44 HB2 TRP 44 6.484 8.263 -5.048
319 HB3 TRP 44 HB3 TRP 44 5.803 7.648 -6.550
320 HD1 TRP 44 HD1 TRP 44 7.454 10.691 -5.013
321 HE1 TRP 44 HE1 TRP 44 8.240 12.286 -6.836
322 HE3 TRP 44 HE3 TRP 44 5.241 8.443 -9.033
323 HZ2 TRP 44 HZ2 TRP 44 7.983 12.534 -9.714
324 HZ3 TRP 44 HZ3 TRP 44 5.551 9.367 -11.301
325 HH2 TRP 44 HH2 TRP 44 6.911 11.407 -11.656
326 H TYR 45 H TYR 45 5.371 8.974 -2.941
327 HA TYR 45 HA TYR 45 4.061 11.439 -2.261
328 HB2 TYR 45 HB2 TYR 45 6.262 9.898 -0.819
329 HB3 TYR 45 HB3 TYR 45 5.410 11.311 -0.183
330 HD1 TYR 45 HD1 TYR 45 5.128 7.720 -1.010
331 HD2 TYR 45 HD2 TYR 45 3.097 11.167 0.566
332 HE1 TYR 45 HE1 TYR 45 3.357 6.249 -0.096
333 HE2 TYR 45 HE2 TYR 45 1.306 9.705 1.465
334 HH TYR 45 HH TYR 45 1.379 6.137 1.050
335 HA PRO 46 HA PRO 46 7.283 13.924 -4.139
336 HB2 PRO 46 HB2 PRO 46 6.009 16.005 -2.372
337 HB3 PRO 46 HB3 PRO 46 6.438 16.126 -4.111
338 HG2 PRO 46 HG2 PRO 46 3.864 15.740 -3.385
339 HG3 PRO 46 HG3 PRO 46 4.562 14.774 -4.732
340 HD2 PRO 46 HD2 PRO 46 4.186 13.953 -1.839
341 HD3 PRO 46 HD3 PRO 46 3.800 13.044 -3.336
342 H GLU 47 H GLU 47 6.721 13.954 -0.578
343 HA GLU 47 HA GLU 47 9.305 15.089 -0.052
344 HB2 GLU 47 HB2 GLU 47 7.417 15.325 1.584
345 HB3 GLU 47 HB3 GLU 47 7.444 13.568 1.828
346 HG2 GLU 47 HG2 GLU 47 9.814 13.714 2.562
347 HG3 GLU 47 HG3 GLU 47 9.784 15.467 2.304
348 H GLU 48 H GLU 48 11.199 13.847 0.001
349 HA GLU 48 HA GLU 48 10.861 10.956 -0.287
350 HB2 GLU 48 HB2 GLU 48 13.118 12.818 -0.899
351 HB3 GLU 48 HB3 GLU 48 13.345 11.057 -0.803
352 HG2 GLU 48 HG2 GLU 48 11.582 10.818 -2.562
353 HG3 GLU 48 HG3 GLU 48 11.469 12.590 -2.656
354 H LEU 49 H LEU 49 11.361 9.585 1.207
355 HA LEU 49 HA LEU 49 11.733 10.291 3.875
356 HB2 LEU 49 HB2 LEU 49 12.299 7.639 2.467
357 HB3 LEU 49 HB3 LEU 49 11.974 7.866 4.195
358 HG LEU 49 HG LEU 49 10.022 8.438 1.918
359 HD11 LEU 49 1HD1 LEU 49 10.091 6.236 4.022
360 HD12 LEU 49 2HD1 LEU 49 8.811 6.485 2.810
361 HD13 LEU 49 3HD1 LEU 49 10.451 6.036 2.290
362 HD21 LEU 49 3HD2 LEU 49 9.674 8.560 4.946
363 HD22 LEU 49 1HD2 LEU 49 9.635 9.944 3.826
364 HD23 LEU 49 2HD2 LEU 49 8.363 8.708 3.752
365 H LEU 50 H LEU 50 14.100 8.947 1.486
366 HA LEU 50 HA LEU 50 16.213 8.720 3.343
367 HB2 LEU 50 HB2 LEU 50 16.330 8.944 0.330
368 HB3 LEU 50 HB3 LEU 50 17.653 8.449 1.401
369 HG LEU 50 HG LEU 50 14.989 6.995 1.100
370 HD11 LEU 50 1HD1 LEU 50 17.794 6.276 0.147
371 HD12 LEU 50 2HD1 LEU 50 16.328 5.289 -0.061
372 HD13 LEU 50 3HD1 LEU 50 16.472 6.855 -0.890
373 HD21 LEU 50 3HD2 LEU 50 17.519 6.288 2.649
374 HD22 LEU 50 1HD2 LEU 50 15.927 6.676 3.348
375 HD23 LEU 50 2HD2 LEU 50 16.138 5.197 2.391
376 H THR 51 H THR 51 15.265 11.376 1.094
377 HA THR 51 HA THR 51 17.667 12.833 1.786
378 HB THR 51 HB THR 51 16.707 14.532 0.297
379 HG1 THR 51 HG1 THR 51 14.881 13.918 -0.887
380 HG21 THR 51 1HG2 THR 51 16.748 11.714 -0.865
381 HG22 THR 51 2HG2 THR 51 16.979 13.226 -1.772
382 HG23 THR 51 3HG2 THR 51 18.188 12.715 -0.572
383 H ASP 52 H ASP 52 17.371 12.976 4.102
384 HA ASP 52 HA ASP 52 15.046 14.521 4.958
385 HB2 ASP 52 HB2 ASP 52 15.705 12.667 6.415
386 HB3 ASP 52 HB3 ASP 52 17.348 13.326 6.556
387 H GLY 53 H GLY 53 15.206 16.581 4.422
388 HA2 GLY 53 HA2 GLY 53 15.793 18.713 4.797
389 HA3 GLY 53 HA3 GLY 53 17.342 18.192 5.469
390 H GLU 54 H GLU 54 17.461 16.435 2.719
391 HA GLU 54 HA GLU 54 19.130 18.316 1.386
392 HB2 GLU 54 HB2 GLU 54 18.076 15.708 0.309
393 HB3 GLU 54 HB3 GLU 54 19.437 16.651 -0.293
394 HG2 GLU 54 HG2 GLU 54 20.653 16.306 1.813
395 HG3 GLU 54 HG3 GLU 54 19.269 15.430 2.494
396 H ASP 55 H ASP 55 15.793 17.083 0.828
397 HA ASP 55 HA ASP 55 15.355 18.333 -1.639
398 HB2 ASP 55 HB2 ASP 55 13.398 17.551 0.558
399 HB3 ASP 55 HB3 ASP 55 12.928 18.151 -1.039
400 H ASP 56 H ASP 56 14.761 19.344 1.751
401 HA ASP 56 HA ASP 56 14.157 21.229 2.749
402 HB2 ASP 56 HB2 ASP 56 16.431 21.852 1.995
403 HB3 ASP 56 HB3 ASP 56 15.725 22.591 0.545
404 H VAL 57 H VAL 57 12.088 20.135 1.236
405 HA VAL 57 HA VAL 57 10.828 22.486 -0.012
406 HB VAL 57 HB VAL 57 9.992 19.565 -0.024
407 HG11 VAL 57 1HG1 VAL 57 8.812 22.025 -1.391
408 HG12 VAL 57 2HG1 VAL 57 8.297 20.345 -1.666
409 HG13 VAL 57 3HG1 VAL 57 8.053 21.096 -0.076
410 HG21 VAL 57 3HG2 VAL 57 11.100 21.383 -2.206
411 HG22 VAL 57 1HG2 VAL 57 11.982 20.056 -1.421
412 HG23 VAL 57 2HG2 VAL 57 10.559 19.703 -2.427
413 H PHE 58 H PHE 58 10.445 19.746 2.348
414 HA PHE 58 HA PHE 58 8.088 20.753 3.552
415 HB2 PHE 58 HB2 PHE 58 9.782 18.410 4.063
416 HB3 PHE 58 HB3 PHE 58 8.647 19.012 5.295
417 HD1 PHE 58 HD1 PHE 58 8.847 18.089 1.665
418 HD2 PHE 58 HD2 PHE 58 6.316 18.746 5.079
419 HE1 PHE 58 HE1 PHE 58 6.874 17.365 0.346
420 HE2 PHE 58 HE2 PHE 58 4.350 18.005 3.766
421 HZ PHE 58 HZ PHE 58 4.627 17.320 1.396
422 H ASP 59 H ASP 59 11.482 21.384 4.505
423 HA ASP 59 HA ASP 59 10.699 22.444 7.012
424 HB2 ASP 59 HB2 ASP 59 13.150 23.168 5.382
425 HB3 ASP 59 HB3 ASP 59 12.834 23.578 7.075
426 HA PRO 60 HA PRO 60 10.247 26.713 4.932
427 HB2 PRO 60 HB2 PRO 60 9.760 26.088 2.044
428 HB3 PRO 60 HB3 PRO 60 10.647 27.478 2.761
429 HG2 PRO 60 HG2 PRO 60 11.996 25.410 1.614
430 HG3 PRO 60 HG3 PRO 60 12.574 26.138 3.150
431 HD2 PRO 60 HD2 PRO 60 10.989 23.597 2.772
432 HD3 PRO 60 HD3 PRO 60 12.404 23.897 3.804
433 H ASP 61 H ASP 61 8.456 23.898 3.783
434 HA ASP 61 HA ASP 61 6.325 23.359 3.564
435 HB2 ASP 61 HB2 ASP 61 6.463 23.866 6.030
436 HB3 ASP 61 HB3 ASP 61 5.728 25.442 5.676
437 H LEU 62 H LEU 62 7.257 25.061 1.555
438 HA LEU 62 HA LEU 62 4.820 26.627 1.023
439 HB2 LEU 62 HB2 LEU 62 6.777 28.113 1.232
440 HB3 LEU 62 HB3 LEU 62 7.672 27.114 0.074
441 HG LEU 62 HG LEU 62 5.932 27.620 -1.657
442 HD11 LEU 62 1HD1 LEU 62 4.917 29.557 0.468
443 HD12 LEU 62 2HD1 LEU 62 4.399 29.532 -1.233
444 HD13 LEU 62 3HD1 LEU 62 4.036 28.151 -0.179
445 HD21 LEU 62 3HD2 LEU 62 7.265 30.035 -0.366
446 HD22 LEU 62 1HD2 LEU 62 8.028 28.910 -1.515
447 HD23 LEU 62 2HD2 LEU 62 6.678 29.940 -2.044
448 H ASP 63 H ASP 63 3.654 25.873 -0.687
449 HA ASP 63 HA ASP 63 4.947 23.873 -2.422
450 HB2 ASP 63 HB2 ASP 63 2.979 22.969 -1.199
451 HB3 ASP 63 HB3 ASP 63 1.981 24.301 -1.806
452 H MET 64 H MET 64 5.334 24.792 -4.461
453 HA MET 64 HA MET 64 3.720 27.156 -5.166
454 HB2 MET 64 HB2 MET 64 6.552 26.461 -6.008
455 HB3 MET 64 HB3 MET 64 5.582 27.796 -6.671
456 HG2 MET 64 HG2 MET 64 5.415 28.830 -4.479
457 HG3 MET 64 HG3 MET 64 6.235 27.458 -3.723
458 HE1 MET 64 HE1 MET 64 8.621 26.689 -5.394
459 HE2 MET 64 HE2 MET 64 9.898 27.749 -4.754
460 HE3 MET 64 HE3 MET 64 8.706 27.022 -3.649
461 H GLU 65 H GLU 65 2.174 26.461 -6.478
462 HA GLU 65 HA GLU 65 2.213 24.087 -7.962
463 HB2 GLU 65 HB2 GLU 65 0.406 26.485 -8.243
464 HB3 GLU 65 HB3 GLU 65 0.191 24.900 -9.021
465 HG2 GLU 65 HG2 GLU 65 0.198 23.831 -6.760
466 HG3 GLU 65 HG3 GLU 65 0.265 25.444 -6.026
467 H VAL 66 H VAL 66 2.983 27.435 -8.892
468 HA VAL 66 HA VAL 66 3.087 27.046 -11.660
469 HB VAL 66 HB VAL 66 4.587 28.998 -9.892
470 HG11 VAL 66 1HG1 VAL 66 3.966 29.003 -12.878
471 HG12 VAL 66 2HG1 VAL 66 4.696 30.352 -11.975
472 HG13 VAL 66 3HG1 VAL 66 5.576 28.818 -12.142
473 HG21 VAL 66 3HG2 VAL 66 1.932 29.205 -11.377
474 HG22 VAL 66 1HG2 VAL 66 2.138 29.133 -9.611
475 HG23 VAL 66 2HG2 VAL 66 2.742 30.536 -10.517
476 H VAL 67 H VAL 67 5.627 26.664 -9.086
477 HA VAL 67 HA VAL 67 7.775 26.201 -10.852
478 HB VAL 67 HB VAL 67 7.368 25.330 -7.991
479 HG11 VAL 67 1HG1 VAL 67 9.869 25.439 -9.729
480 HG12 VAL 67 2HG1 VAL 67 9.842 25.125 -7.978
481 HG13 VAL 67 3HG1 VAL 67 9.093 23.968 -9.097
482 HG21 VAL 67 3HG2 VAL 67 8.806 27.702 -9.257
483 HG22 VAL 67 1HG2 VAL 67 7.295 27.774 -8.321
484 HG23 VAL 67 2HG2 VAL 67 8.809 27.296 -7.526
485 H PHE 68 H PHE 68 5.504 23.828 -9.206
486 HA PHE 68 HA PHE 68 6.867 21.666 -10.539
487 HB2 PHE 68 HB2 PHE 68 5.569 20.136 -9.676
488 HB3 PHE 68 HB3 PHE 68 5.945 21.264 -8.392
489 HD1 PHE 68 HD1 PHE 68 3.252 19.971 -10.585
490 HD2 PHE 68 HD2 PHE 68 4.234 22.342 -7.138
491 HE1 PHE 68 HE1 PHE 68 0.894 19.872 -9.851
492 HE2 PHE 68 HE2 PHE 68 1.868 22.250 -6.406
493 HZ PHE 68 HZ PHE 68 0.196 21.012 -7.759
494 H GLU 69 H GLU 69 3.988 23.529 -11.460
495 HA GLU 69 HA GLU 69 3.464 21.670 -13.593
496 HB2 GLU 69 HB2 GLU 69 2.310 24.416 -13.039
497 HB3 GLU 69 HB3 GLU 69 1.746 23.283 -14.286
498 HG2 GLU 69 HG2 GLU 69 1.123 21.648 -12.588
499 HG3 GLU 69 HG3 GLU 69 1.815 22.654 -11.307
500 H THR 70 H THR 70 5.645 21.725 -14.472
501 HA THR 70 HA THR 70 6.701 23.985 -15.806
502 HB THR 70 HB THR 70 7.133 21.022 -16.274
503 HG1 THR 70 HG1 THR 70 7.558 21.745 -14.141
504 HG21 THR 70 1HG2 THR 70 8.815 23.474 -16.960
505 HG22 THR 70 2HG2 THR 70 9.308 21.781 -17.197
506 HG23 THR 70 3HG2 THR 70 7.948 22.447 -18.127
507 H GLN 71 H GLN 71 4.562 21.242 -16.682
508 HA GLN 71 HA GLN 71 4.287 22.068 -19.434
509 HB2 GLN 71 HB2 GLN 71 2.687 20.202 -19.580
510 HB3 GLN 71 HB3 GLN 71 4.284 19.681 -19.034
511 HG2 GLN 71 HG2 GLN 71 2.036 20.258 -17.070
512 HG3 GLN 71 HG3 GLN 71 2.222 18.689 -17.865
513 HE21 GLN 71 1HE2 GLN 71 3.223 20.623 -15.228
514 HE22 GLN 71 2HE2 GLN 71 4.528 19.602 -14.665
Start of MODEL 7
1 H1 GLY 1 H1 GLY 1 -13.012 -10.422 -15.409
2 H2 GLY 1 H2 GLY 1 -12.846 -9.360 -14.096
3 H3 GLY 1 H3 GLY 1 -11.682 -9.380 -15.330
4 HA2 GLY 1 HA3 GLY 1 -11.100 -10.533 -13.169
5 HA3 GLY 1 HA2 GLY 1 -12.245 -11.779 -13.721
6 H SER 2 H SER 2 -9.218 -11.608 -13.324
7 HA SER 2 HA SER 2 -8.487 -12.669 -15.965
8 HB2 SER 2 HB2 SER 2 -6.220 -11.812 -15.676
9 HB3 SER 2 HB3 SER 2 -7.388 -10.469 -15.701
10 HG SER 2 HG SER 2 -5.862 -10.292 -13.996
11 H THR 3 H THR 3 -6.935 -14.395 -15.877
12 HA THR 3 HA THR 3 -7.187 -15.947 -13.445
13 HB THR 3 HB THR 3 -5.791 -16.622 -16.025
14 HG1 THR 3 HG1 THR 3 -7.705 -17.857 -16.306
15 HG21 THR 3 1HG2 THR 3 -6.651 -18.303 -13.631
16 HG22 THR 3 2HG2 THR 3 -5.929 -18.923 -15.136
17 HG23 THR 3 3HG2 THR 3 -4.975 -17.878 -14.056
18 H ALA 4 H ALA 4 -6.102 -14.514 -12.078
19 HA ALA 4 HA ALA 4 -3.200 -14.299 -12.462
20 HB1 ALA 4 HB1 ALA 4 -5.046 -12.677 -10.648
21 HB2 ALA 4 HB2 ALA 4 -3.281 -12.495 -10.785
22 HB3 ALA 4 HB3 ALA 4 -4.326 -12.097 -12.169
23 H MET 5 H MET 5 -1.966 -15.184 -10.727
24 HA MET 5 HA MET 5 -3.156 -17.269 -9.254
25 HB2 MET 5 HB2 MET 5 -1.054 -17.627 -8.242
26 HB3 MET 5 HB3 MET 5 -0.710 -17.129 -9.915
27 HG2 MET 5 HG2 MET 5 -0.587 -15.324 -7.471
28 HG3 MET 5 HG3 MET 5 0.808 -16.045 -8.308
29 HE1 MET 5 HE1 MET 5 1.945 -13.724 -8.323
30 HE2 MET 5 HE2 MET 5 1.188 -12.250 -8.971
31 HE3 MET 5 HE3 MET 5 0.529 -13.019 -7.507
32 H ALA 6 H ALA 6 -4.087 -17.417 -7.444
33 HA ALA 6 HA ALA 6 -5.205 -16.941 -5.597
34 HB1 ALA 6 HB1 ALA 6 -2.798 -15.219 -4.964
35 HB2 ALA 6 HB2 ALA 6 -4.053 -15.739 -3.815
36 HB3 ALA 6 HB3 ALA 6 -2.997 -16.946 -4.586
37 H THR 7 H THR 7 -5.751 -15.268 -8.003
38 HA THR 7 HA THR 7 -6.903 -13.515 -8.677
39 HB THR 7 HB THR 7 -8.877 -12.950 -7.513
40 HG1 THR 7 HG1 THR 7 -8.011 -13.013 -5.393
41 HG21 THR 7 1HG2 THR 7 -8.216 -15.921 -7.403
42 HG22 THR 7 2HG2 THR 7 -9.851 -15.217 -7.435
43 HG23 THR 7 3HG2 THR 7 -8.775 -15.030 -8.839
44 H THR 8 H THR 8 -4.388 -12.739 -7.880
45 HA THR 8 HA THR 8 -4.515 -10.462 -6.161
46 HB THR 8 HB THR 8 -2.425 -11.295 -8.176
47 HG1 THR 8 HG1 THR 8 -2.838 -12.790 -6.477
48 HG21 THR 8 1HG2 THR 8 -2.319 -9.361 -5.830
49 HG22 THR 8 2HG2 THR 8 -0.942 -9.848 -6.847
50 HG23 THR 8 3HG2 THR 8 -2.283 -8.913 -7.551
51 H MET 9 H MET 9 -4.746 -8.287 -6.710
52 HA MET 9 HA MET 9 -6.109 -7.790 -9.199
53 HB2 MET 9 HB2 MET 9 -6.644 -6.654 -6.948
54 HB3 MET 9 HB3 MET 9 -5.199 -5.663 -7.260
55 HG2 MET 9 HG2 MET 9 -7.152 -4.507 -8.169
56 HG3 MET 9 HG3 MET 9 -6.150 -5.089 -9.520
57 HE1 MET 9 HE1 MET 9 -8.012 -4.790 -11.275
58 HE2 MET 9 HE2 MET 9 -9.685 -5.364 -11.071
59 HE3 MET 9 HE3 MET 9 -9.046 -4.085 -10.009
60 H GLU 10 H GLU 10 -5.213 -6.980 -10.987
61 HA GLU 10 HA GLU 10 -2.429 -7.056 -11.392
62 HB2 GLU 10 HB2 GLU 10 -4.586 -5.894 -13.162
63 HB3 GLU 10 HB3 GLU 10 -2.917 -6.300 -13.628
64 HG2 GLU 10 HG2 GLU 10 -3.348 -8.675 -13.026
65 HG3 GLU 10 HG3 GLU 10 -5.029 -8.252 -12.625
66 H GLN 11 H GLN 11 -4.543 -4.122 -10.941
67 HA GLN 11 HA GLN 11 -2.334 -2.480 -11.789
68 HB2 GLN 11 HB2 GLN 11 -3.450 -0.530 -10.944
69 HB3 GLN 11 HB3 GLN 11 -4.474 -1.467 -12.059
70 HG2 GLN 11 HG2 GLN 11 -4.747 -2.118 -9.167
71 HG3 GLN 11 HG3 GLN 11 -5.339 -0.518 -9.678
72 HE21 GLN 11 1HE2 GLN 11 -7.512 -0.769 -9.606
73 HE22 GLN 11 2HE2 GLN 11 -8.396 -1.971 -10.520
74 H GLU 12 H GLU 12 -1.241 -0.907 -10.665
75 HA GLU 12 HA GLU 12 -0.088 -1.953 -8.249
76 HB2 GLU 12 HB2 GLU 12 0.573 0.588 -9.771
77 HB3 GLU 12 HB3 GLU 12 1.555 -0.214 -8.522
78 HG2 GLU 12 HG2 GLU 12 1.689 -2.216 -10.052
79 HG3 GLU 12 HG3 GLU 12 0.927 -1.213 -11.310
80 H ILE 13 H ILE 13 -1.767 -1.876 -6.808
81 HA ILE 13 HA ILE 13 -3.056 0.628 -6.129
82 HB ILE 13 HB ILE 13 -4.351 -0.633 -4.560
83 HG12 ILE 13 2HG1 ILE 13 -4.315 -3.151 -4.754
84 HG13 ILE 13 3HG1 ILE 13 -2.707 -2.998 -5.500
85 HG21 ILE 13 1HG2 ILE 13 -4.136 -1.856 -7.349
86 HG22 ILE 13 2HG2 ILE 13 -5.557 -1.954 -6.284
87 HG23 ILE 13 3HG2 ILE 13 -5.038 -0.380 -6.933
88 HD11 ILE 13 3HD1 ILE 13 -1.874 -1.878 -3.473
89 HD12 ILE 13 1HD1 ILE 13 -3.483 -2.031 -2.728
90 HD13 ILE 13 2HD1 ILE 13 -2.535 -3.489 -3.108
91 H CYS 14 H CYS 14 -0.085 -0.620 -4.920
92 HA CYS 14 HA CYS 14 -0.497 0.086 -2.206
93 HB2 CYS 14 HB2 CYS 14 1.427 -1.303 -2.899
94 HB3 CYS 14 HB3 CYS 14 2.165 0.155 -3.605
95 H ALA 15 H ALA 15 0.095 1.889 -1.066
96 HA ALA 15 HA ALA 15 -0.797 4.319 -2.121
97 HB1 ALA 15 HB1 ALA 15 0.859 3.768 0.370
98 HB2 ALA 15 HB2 ALA 15 -0.016 5.275 0.005
99 HB3 ALA 15 HB3 ALA 15 -0.918 3.765 0.276
100 H HIS 16 H HIS 16 2.555 3.114 -1.507
101 HA HIS 16 HA HIS 16 3.826 5.550 -2.084
102 HB2 HIS 16 HB2 HIS 16 4.821 2.708 -2.251
103 HB3 HIS 16 HB3 HIS 16 5.830 4.151 -2.509
104 HD2 HIS 16 HD2 HIS 16 7.042 5.102 -0.328
105 HE1 HIS 16 HE1 HIS 16 4.574 3.231 2.559
106 H SER 17 H SER 17 2.881 2.814 -4.303
107 HA SER 17 HA SER 17 2.437 4.236 -6.550
108 HB2 SER 17 HB2 SER 17 4.432 3.944 -7.988
109 HB3 SER 17 HB3 SER 17 4.678 5.161 -6.712
110 HG SER 17 HG SER 17 6.440 3.718 -6.919
111 H MET 18 H MET 18 4.498 1.421 -5.584
112 HA MET 18 HA MET 18 3.594 -0.139 -7.820
113 HB2 MET 18 HB2 MET 18 5.320 -0.983 -5.500
114 HB3 MET 18 HB3 MET 18 5.119 -1.793 -7.073
115 HG2 MET 18 HG2 MET 18 6.067 0.241 -8.172
116 HG3 MET 18 HG3 MET 18 6.391 0.909 -6.554
117 HE1 MET 18 HE1 MET 18 8.891 1.260 -7.274
118 HE2 MET 18 HE2 MET 18 9.931 -0.032 -7.918
119 HE3 MET 18 HE3 MET 18 8.544 0.550 -8.867
120 H THR 19 H THR 19 3.410 -2.639 -7.215
121 HA THR 19 HA THR 19 0.653 -2.876 -6.456
122 HB THR 19 HB THR 19 2.751 -4.949 -7.222
123 HG1 THR 19 HG1 THR 19 2.296 -3.359 -8.827
124 HG21 THR 19 1HG2 THR 19 -0.284 -5.107 -7.218
125 HG22 THR 19 2HG2 THR 19 0.832 -6.362 -7.806
126 HG23 THR 19 3HG2 THR 19 0.801 -5.936 -6.078
127 H PHE 20 H PHE 20 0.011 -4.637 -4.861
128 HA PHE 20 HA PHE 20 0.924 -4.173 -2.280
129 HB2 PHE 20 HB2 PHE 20 -1.357 -4.974 -2.940
130 HB3 PHE 20 HB3 PHE 20 -0.651 -6.482 -3.571
131 HD1 PHE 20 HD2 PHE 20 -1.354 -4.518 -0.504
132 HD2 PHE 20 HD1 PHE 20 -0.061 -8.282 -2.127
133 HE1 PHE 20 HE2 PHE 20 -1.576 -5.561 1.735
134 HE2 PHE 20 HE1 PHE 20 -0.281 -9.325 0.112
135 HZ PHE 20 HZ PHE 20 -1.040 -7.964 2.045
136 H GLU 21 H GLU 21 1.574 -6.758 -4.709
137 HA GLU 21 HA GLU 21 3.187 -8.442 -3.146
138 HB2 GLU 21 HB2 GLU 21 1.984 -9.031 -5.278
139 HB3 GLU 21 HB3 GLU 21 3.120 -7.987 -6.165
140 HG2 GLU 21 HG2 GLU 21 4.995 -9.379 -5.505
141 HG3 GLU 21 HG3 GLU 21 3.948 -10.359 -4.452
142 H GLU 22 H GLU 22 3.842 -5.573 -5.185
143 HA GLU 22 HA GLU 22 6.720 -5.770 -4.893
144 HB2 GLU 22 HB2 GLU 22 4.945 -3.827 -6.423
145 HB3 GLU 22 HB3 GLU 22 6.724 -3.862 -6.452
146 HG2 GLU 22 HG2 GLU 22 4.932 -6.160 -7.315
147 HG3 GLU 22 HG3 GLU 22 5.691 -4.987 -8.417
148 H CYS 23 H CYS 23 4.458 -4.841 -2.743
149 HA CYS 23 HA CYS 23 4.960 -2.224 -2.080
150 HB2 CYS 23 HB2 CYS 23 3.131 -3.564 -1.108
151 HB3 CYS 23 HB3 CYS 23 4.331 -4.441 -0.128
152 HG CYS 23 HG CYS 23 3.118 -2.657 1.338
153 HA PRO 24 HA PRO 24 8.538 -3.439 0.812
154 HB2 PRO 24 HB2 PRO 24 10.293 -5.364 0.039
155 HB3 PRO 24 HB3 PRO 24 8.968 -5.640 1.196
156 HG2 PRO 24 HG2 PRO 24 9.054 -6.235 -1.796
157 HG3 PRO 24 HG3 PRO 24 8.414 -7.258 -0.487
158 HD2 PRO 24 HD2 PRO 24 6.751 -5.730 -2.026
159 HD3 PRO 24 HD3 PRO 24 6.424 -6.010 -0.299
160 H LYS 25 H LYS 25 8.791 -3.776 -2.756
161 HA LYS 25 HA LYS 25 11.282 -2.415 -2.973
162 HB2 LYS 25 HB2 LYS 25 9.154 -2.761 -5.078
163 HB3 LYS 25 HB3 LYS 25 10.816 -2.171 -5.315
164 HG2 LYS 25 HG2 LYS 25 11.649 -4.351 -4.352
165 HG3 LYS 25 HG3 LYS 25 9.966 -4.929 -4.343
166 HD2 LYS 25 HD2 LYS 25 11.058 -5.711 -6.375
167 HD3 LYS 25 HD3 LYS 25 9.854 -4.475 -6.811
168 HE2 LYS 25 HE2 LYS 25 11.950 -4.134 -8.049
169 HE3 LYS 25 HE3 LYS 25 11.651 -2.778 -6.935
170 HZ1 LYS 25 HZ1 LYS 25 13.445 -5.038 -6.435
171 HZ2 LYS 25 HZ2 LYS 25 13.904 -3.513 -6.865
172 HZ3 LYS 25 HZ3 LYS 25 13.172 -3.775 -5.410
173 H CYS 26 H CYS 26 7.981 -1.294 -2.416
174 HA CYS 26 HA CYS 26 8.125 1.247 -3.564
175 HB2 CYS 26 HB2 CYS 26 6.553 0.159 -1.213
176 HB3 CYS 26 HB3 CYS 26 6.359 1.798 -1.879
177 HG CYS 26 HG CYS 26 4.399 0.297 -2.623
178 H SER 27 H SER 27 9.294 -0.108 -0.460
179 HA SER 27 HA SER 27 9.761 2.280 0.935
180 HB2 SER 27 HB2 SER 27 11.217 -0.380 1.111
181 HB3 SER 27 HB3 SER 27 11.284 0.941 2.301
182 HG SER 27 HG SER 27 9.746 -0.667 2.848
183 H ALA 28 H ALA 28 11.693 0.426 -1.482
184 HA ALA 28 HA ALA 28 14.106 1.893 -1.123
185 HB1 ALA 28 HB1 ALA 28 13.110 0.377 -3.560
186 HB2 ALA 28 HB2 ALA 28 14.761 0.987 -3.299
187 HB3 ALA 28 HB3 ALA 28 14.110 -0.297 -2.252
188 H LEU 29 H LEU 29 14.731 3.801 -2.167
189 HA LEU 29 HA LEU 29 12.593 5.316 -3.438
190 HB2 LEU 29 HB2 LEU 29 15.071 5.948 -1.913
191 HB3 LEU 29 HB3 LEU 29 14.625 7.061 -3.228
192 HG LEU 29 HG LEU 29 12.317 7.202 -2.227
193 HD11 LEU 29 1HD1 LEU 29 13.605 5.731 0.091
194 HD12 LEU 29 2HD1 LEU 29 11.999 6.498 0.094
195 HD13 LEU 29 3HD1 LEU 29 12.318 5.104 -0.965
196 HD21 LEU 29 3HD2 LEU 29 14.649 7.992 -0.435
197 HD22 LEU 29 1HD2 LEU 29 14.033 8.925 -1.820
198 HD23 LEU 29 2HD2 LEU 29 13.013 8.690 -0.380
199 H GLN 30 H GLN 30 14.542 3.154 -4.797
200 HA GLN 30 HA GLN 30 16.101 4.517 -6.662
201 HB2 GLN 30 HB2 GLN 30 14.727 1.815 -6.894
202 HB3 GLN 30 HB3 GLN 30 16.028 2.423 -7.943
203 HG2 GLN 30 HG2 GLN 30 17.505 2.640 -5.952
204 HG3 GLN 30 HG3 GLN 30 16.219 1.956 -4.938
205 HE21 GLN 30 2HE2 GLN 30 19.052 1.046 -5.865
206 HE22 GLN 30 1HE2 GLN 30 18.793 -0.603 -6.390
207 H TYR 31 H TYR 31 12.667 3.478 -6.771
208 HA TYR 31 HA TYR 31 12.165 4.090 -9.454
209 HB2 TYR 31 HB2 TYR 31 10.722 2.641 -8.067
210 HB3 TYR 31 HB3 TYR 31 10.308 4.018 -7.040
211 HD1 TYR 31 HD1 TYR 31 10.159 2.825 -10.586
212 HD2 TYR 31 HD2 TYR 31 8.464 5.369 -7.565
213 HE1 TYR 31 HE1 TYR 31 8.284 3.375 -12.113
214 HE2 TYR 31 HE2 TYR 31 6.578 5.925 -9.082
215 HH TYR 31 HH TYR 31 6.332 4.550 -12.387
216 H ARG 32 H ARG 32 12.055 6.064 -6.427
217 HA ARG 32 HA ARG 32 10.746 8.304 -7.501
218 HB2 ARG 32 HB2 ARG 32 12.669 8.226 -5.167
219 HB3 ARG 32 HB3 ARG 32 11.564 9.543 -5.624
220 HG2 ARG 32 HG2 ARG 32 9.676 7.790 -5.502
221 HG3 ARG 32 HG3 ARG 32 10.853 6.749 -4.679
222 HD2 ARG 32 HD2 ARG 32 11.186 8.604 -2.993
223 HD3 ARG 32 HD3 ARG 32 9.894 9.505 -3.802
224 HE ARG 32 HE ARG 32 8.830 6.981 -3.266
225 HH11 ARG 32 2HH1 ARG 32 10.160 9.678 -1.399
226 HH12 ARG 32 1HH1 ARG 32 9.195 9.339 0.020
227 HH21 ARG 32 2HH2 ARG 32 7.572 6.540 -1.402
228 HH22 ARG 32 1HH2 ARG 32 7.722 7.552 0.018
229 H ASN 33 H ASN 33 14.212 7.453 -7.292
230 HA ASN 33 HA ASN 33 15.163 9.927 -8.268
231 HB2 ASN 33 HB2 ASN 33 16.422 7.163 -8.474
232 HB3 ASN 33 HB3 ASN 33 17.239 8.706 -8.799
233 HD21 ASN 33 1HD2 ASN 33 16.850 6.349 -6.491
234 HD22 ASN 33 2HD2 ASN 33 17.155 7.288 -5.047
235 H GLY 34 H GLY 34 15.817 10.531 -10.383
236 HA2 GLY 34 HA2 GLY 34 16.103 10.207 -12.646
237 HA3 GLY 34 HA3 GLY 34 15.118 8.744 -12.577
238 H PHE 35 H PHE 35 13.209 10.848 -10.813
239 HA PHE 35 HA PHE 35 11.583 11.470 -13.129
240 HB2 PHE 35 HB2 PHE 35 11.112 11.734 -10.188
241 HB3 PHE 35 HB3 PHE 35 10.145 12.629 -11.364
242 HD1 PHE 35 HD1 PHE 35 10.978 9.216 -10.151
243 HD2 PHE 35 HD2 PHE 35 8.597 11.566 -12.849
244 HE1 PHE 35 HE1 PHE 35 9.502 7.267 -10.547
245 HE2 PHE 35 HE2 PHE 35 7.136 9.607 -13.259
246 HZ PHE 35 HZ PHE 35 7.588 7.457 -12.102
247 H TYR 36 H TYR 36 10.907 13.528 -13.761
248 HA TYR 36 HA TYR 36 12.954 15.411 -13.982
249 HB2 TYR 36 HB2 TYR 36 11.173 15.136 -15.643
250 HB3 TYR 36 HB3 TYR 36 9.943 15.561 -14.448
251 HD1 TYR 36 HD1 TYR 36 12.728 16.887 -16.509
252 HD2 TYR 36 HD2 TYR 36 9.473 17.835 -13.866
253 HE1 TYR 36 HE1 TYR 36 12.913 19.277 -17.148
254 HE2 TYR 36 HE2 TYR 36 9.651 20.226 -14.490
255 HH TYR 36 HH TYR 36 12.083 21.398 -16.856
256 H LEU 37 H LEU 37 9.957 15.625 -11.829
257 HA LEU 37 HA LEU 37 11.620 17.462 -10.264
258 HB2 LEU 37 HB2 LEU 37 10.451 18.993 -11.724
259 HB3 LEU 37 HB3 LEU 37 8.902 18.238 -11.324
260 HG LEU 37 HG LEU 37 9.156 18.932 -8.969
261 HD11 LEU 37 1HD1 LEU 37 11.665 20.348 -9.983
262 HD12 LEU 37 2HD1 LEU 37 10.920 20.591 -8.386
263 HD13 LEU 37 3HD1 LEU 37 11.623 19.016 -8.805
264 HD21 LEU 37 3HD2 LEU 37 9.554 21.203 -10.961
265 HD22 LEU 37 1HD2 LEU 37 8.039 20.308 -10.723
266 HD23 LEU 37 2HD2 LEU 37 8.707 21.295 -9.396
267 H LEU 38 H LEU 38 11.474 17.040 -8.202
268 HA LEU 38 HA LEU 38 10.039 14.847 -7.214
269 HB2 LEU 38 HB2 LEU 38 11.365 17.149 -5.747
270 HB3 LEU 38 HB3 LEU 38 10.718 15.691 -4.980
271 HG LEU 38 HG LEU 38 12.967 15.735 -7.035
272 HD11 LEU 38 1HD1 LEU 38 12.969 15.287 -4.016
273 HD12 LEU 38 2HD1 LEU 38 14.383 15.162 -5.087
274 HD13 LEU 38 3HD1 LEU 38 13.582 16.732 -4.852
275 HD21 LEU 38 3HD2 LEU 38 11.771 13.488 -5.345
276 HD22 LEU 38 1HD2 LEU 38 11.738 13.615 -7.121
277 HD23 LEU 38 2HD2 LEU 38 13.277 13.361 -6.281
278 H LYS 39 H LYS 39 9.464 18.371 -7.096
279 HA LYS 39 HA LYS 39 7.351 18.395 -5.268
280 HB2 LYS 39 HB2 LYS 39 8.072 20.345 -7.478
281 HB3 LYS 39 HB3 LYS 39 6.883 20.631 -6.192
282 HG2 LYS 39 HG2 LYS 39 8.649 20.328 -4.482
283 HG3 LYS 39 HG3 LYS 39 9.852 20.081 -5.773
284 HD2 LYS 39 HD2 LYS 39 9.372 22.330 -6.667
285 HD3 LYS 39 HD3 LYS 39 8.127 22.575 -5.419
286 HE2 LYS 39 HE2 LYS 39 9.838 22.336 -3.656
287 HE3 LYS 39 HE3 LYS 39 11.087 22.081 -4.894
288 HZ1 LYS 39 HZ1 LYS 39 10.611 24.265 -5.729
289 HZ2 LYS 39 HZ2 LYS 39 11.035 24.338 -4.137
290 HZ3 LYS 39 HZ3 LYS 39 9.454 24.501 -4.579
291 H TYR 40 H TYR 40 7.294 17.420 -8.680
292 HA TYR 40 HA TYR 40 4.671 18.240 -9.277
293 HB2 TYR 40 HB2 TYR 40 6.278 17.521 -10.999
294 HB3 TYR 40 HB3 TYR 40 6.261 15.878 -10.341
295 HD1 TYR 40 HD1 TYR 40 4.160 18.488 -11.965
296 HD2 TYR 40 HD2 TYR 40 4.526 14.345 -10.887
297 HE1 TYR 40 HE1 TYR 40 2.192 17.958 -13.376
298 HE2 TYR 40 HE2 TYR 40 2.560 13.795 -12.299
299 HH TYR 40 HH TYR 40 0.792 16.316 -14.150
300 H ASP 41 H ASP 41 2.718 17.491 -8.702
301 HA ASP 41 HA ASP 41 2.637 15.382 -6.720
302 HB2 ASP 41 HB2 ASP 41 0.439 17.196 -7.720
303 HB3 ASP 41 HB3 ASP 41 0.289 15.969 -6.443
304 H GLU 42 H GLU 42 2.229 13.483 -6.935
305 HA GLU 42 HA GLU 42 0.296 12.428 -8.771
306 HB2 GLU 42 HB2 GLU 42 1.641 10.917 -9.947
307 HB3 GLU 42 HB3 GLU 42 2.317 12.531 -10.193
308 HG2 GLU 42 HG2 GLU 42 3.997 11.982 -8.363
309 HG3 GLU 42 HG3 GLU 42 3.321 10.325 -8.435
310 H GLU 43 H GLU 43 0.717 9.722 -8.295
311 HA GLU 43 HA GLU 43 -0.181 9.408 -5.649
312 HB2 GLU 43 HB2 GLU 43 0.973 7.311 -7.505
313 HB3 GLU 43 HB3 GLU 43 0.050 7.020 -6.015
314 HG2 GLU 43 HG2 GLU 43 -1.883 8.245 -7.005
315 HG3 GLU 43 HG3 GLU 43 -0.968 8.432 -8.514
316 H TRP 44 H TRP 44 2.953 9.009 -7.149
317 HA TRP 44 HA TRP 44 4.531 7.804 -5.247
318 HB2 TRP 44 HB2 TRP 44 4.847 8.306 -7.718
319 HB3 TRP 44 HB3 TRP 44 4.800 10.021 -7.328
320 HD1 TRP 44 HD1 TRP 44 7.199 7.141 -7.400
321 HE1 TRP 44 HE1 TRP 44 9.446 8.168 -7.933
322 HE3 TRP 44 HE3 TRP 44 5.988 12.049 -6.732
323 HZ2 TRP 44 HZ2 TRP 44 10.576 10.856 -8.185
324 HZ3 TRP 44 HZ3 TRP 44 7.607 13.816 -7.305
325 HH2 TRP 44 HH2 TRP 44 9.905 13.209 -8.065
326 H TYR 45 H TYR 45 5.632 8.753 -3.339
327 HA TYR 45 HA TYR 45 4.529 11.248 -2.417
328 HB2 TYR 45 HB2 TYR 45 6.617 9.431 -1.193
329 HB3 TYR 45 HB3 TYR 45 6.033 10.933 -0.467
330 HD1 TYR 45 HD2 TYR 45 3.652 11.182 0.184
331 HD2 TYR 45 HD1 TYR 45 5.276 7.415 -1.106
332 HE1 TYR 45 HE2 TYR 45 1.697 10.013 1.165
333 HE2 TYR 45 HE1 TYR 45 3.329 6.234 -0.121
334 HH TYR 45 HH TYR 45 1.348 6.443 1.011
335 HA PRO 46 HA PRO 46 7.641 13.790 -4.228
336 HB2 PRO 46 HB2 PRO 46 6.864 16.169 -3.099
337 HB3 PRO 46 HB3 PRO 46 6.000 15.392 -4.469
338 HG2 PRO 46 HG2 PRO 46 5.341 15.233 -1.520
339 HG3 PRO 46 HG3 PRO 46 4.228 15.577 -2.888
340 HD2 PRO 46 HD2 PRO 46 4.456 13.094 -1.812
341 HD3 PRO 46 HD3 PRO 46 4.249 13.311 -3.579
342 H GLU 47 H GLU 47 7.023 13.701 -0.694
343 HA GLU 47 HA GLU 47 9.558 14.904 -0.098
344 HB2 GLU 47 HB2 GLU 47 7.636 15.056 1.504
345 HB3 GLU 47 HB3 GLU 47 7.706 13.297 1.716
346 HG2 GLU 47 HG2 GLU 47 10.043 13.482 2.514
347 HG3 GLU 47 HG3 GLU 47 9.996 15.236 2.260
348 H GLU 48 H GLU 48 11.475 13.744 -0.018
349 HA GLU 48 HA GLU 48 11.259 10.836 -0.324
350 HB2 GLU 48 HB2 GLU 48 13.475 12.761 -0.943
351 HB3 GLU 48 HB3 GLU 48 13.697 10.996 -0.904
352 HG2 GLU 48 HG2 GLU 48 11.905 10.788 -2.626
353 HG3 GLU 48 HG3 GLU 48 11.773 12.560 -2.678
354 H LEU 49 H LEU 49 11.869 9.499 1.174
355 HA LEU 49 HA LEU 49 12.271 10.278 3.826
356 HB2 LEU 49 HB2 LEU 49 12.943 7.627 2.486
357 HB3 LEU 49 HB3 LEU 49 12.678 7.898 4.217
358 HG LEU 49 HG LEU 49 10.600 8.288 2.014
359 HD11 LEU 49 1HD1 LEU 49 10.891 6.141 4.155
360 HD12 LEU 49 2HD1 LEU 49 9.546 6.288 2.999
361 HD13 LEU 49 3HD1 LEU 49 11.185 5.924 2.414
362 HD21 LEU 49 3HD2 LEU 49 10.380 8.457 5.053
363 HD22 LEU 49 1HD2 LEU 49 10.208 9.810 3.909
364 HD23 LEU 49 2HD2 LEU 49 9.011 8.502 3.918
365 H LEU 50 H LEU 50 14.620 9.040 1.366
366 HA LEU 50 HA LEU 50 16.822 8.949 3.116
367 HB2 LEU 50 HB2 LEU 50 16.726 9.205 0.103
368 HB3 LEU 50 HB3 LEU 50 18.198 8.931 1.055
369 HG LEU 50 HG LEU 50 15.772 7.083 1.090
370 HD11 LEU 50 1HD1 LEU 50 18.448 6.817 -0.345
371 HD12 LEU 50 2HD1 LEU 50 17.155 5.593 -0.304
372 HD13 LEU 50 3HD1 LEU 50 16.884 7.147 -1.126
373 HD21 LEU 50 3HD2 LEU 50 18.606 6.788 2.172
374 HD22 LEU 50 1HD2 LEU 50 17.119 6.936 3.140
375 HD23 LEU 50 2HD2 LEU 50 17.383 5.498 2.135
376 H THR 51 H THR 51 15.665 11.591 0.914
377 HA THR 51 HA THR 51 17.974 13.175 1.677
378 HB THR 51 HB THR 51 16.987 14.833 0.169
379 HG1 THR 51 HG1 THR 51 14.834 14.147 0.390
380 HG21 THR 51 1HG2 THR 51 17.272 12.033 -1.003
381 HG22 THR 51 2HG2 THR 51 17.463 13.566 -1.883
382 HG23 THR 51 3HG2 THR 51 18.626 13.116 -0.614
383 H ASP 52 H ASP 52 17.622 13.276 3.955
384 HA ASP 52 HA ASP 52 15.205 14.692 4.779
385 HB2 ASP 52 HB2 ASP 52 15.879 12.800 6.179
386 HB3 ASP 52 HB3 ASP 52 17.492 13.506 6.404
387 H GLY 53 H GLY 53 15.278 16.770 4.363
388 HA2 GLY 53 HA2 GLY 53 15.794 18.908 4.825
389 HA3 GLY 53 HA3 GLY 53 17.355 18.407 5.487
390 H GLU 54 H GLU 54 17.579 16.769 2.677
391 HA GLU 54 HA GLU 54 19.132 18.802 1.415
392 HB2 GLU 54 HB2 GLU 54 18.316 16.093 0.381
393 HB3 GLU 54 HB3 GLU 54 19.510 17.184 -0.339
394 HG2 GLU 54 HG2 GLU 54 20.856 17.082 1.731
395 HG3 GLU 54 HG3 GLU 54 19.656 16.005 2.469
396 H ASP 55 H ASP 55 15.903 17.380 0.885
397 HA ASP 55 HA ASP 55 15.309 18.538 -1.577
398 HB2 ASP 55 HB2 ASP 55 13.506 17.749 0.760
399 HB3 ASP 55 HB3 ASP 55 12.911 18.264 -0.827
400 H ASP 56 H ASP 56 14.729 19.654 1.811
401 HA ASP 56 HA ASP 56 13.975 21.554 2.707
402 HB2 ASP 56 HB2 ASP 56 15.421 22.902 0.431
403 HB3 ASP 56 HB3 ASP 56 14.737 23.702 1.859
404 H VAL 57 H VAL 57 11.990 20.182 1.220
405 HA VAL 57 HA VAL 57 10.551 22.414 -0.058
406 HB VAL 57 HB VAL 57 10.000 19.425 -0.120
407 HG11 VAL 57 1HG1 VAL 57 8.628 21.776 -1.501
408 HG12 VAL 57 2HG1 VAL 57 8.287 20.056 -1.807
409 HG13 VAL 57 3HG1 VAL 57 7.924 20.761 -0.217
410 HG21 VAL 57 3HG2 VAL 57 11.000 21.367 -2.246
411 HG22 VAL 57 1HG2 VAL 57 11.967 20.103 -1.459
412 HG23 VAL 57 2HG2 VAL 57 10.607 19.653 -2.511
413 H PHE 58 H PHE 58 10.274 19.586 2.200
414 HA PHE 58 HA PHE 58 7.804 20.407 3.325
415 HB2 PHE 58 HB2 PHE 58 9.645 18.159 3.847
416 HB3 PHE 58 HB3 PHE 58 8.371 18.611 5.005
417 HD1 PHE 58 HD1 PHE 58 8.900 17.944 1.345
418 HD2 PHE 58 HD2 PHE 58 6.124 18.060 4.628
419 HE1 PHE 58 HE1 PHE 58 7.103 17.102 -0.141
420 HE2 PHE 58 HE2 PHE 58 4.334 17.198 3.144
421 HZ PHE 58 HZ PHE 58 4.821 16.728 0.756
422 H ASP 59 H ASP 59 11.114 21.101 4.475
423 HA ASP 59 HA ASP 59 10.194 21.967 7.001
424 HB2 ASP 59 HB2 ASP 59 12.649 22.927 5.517
425 HB3 ASP 59 HB3 ASP 59 12.298 23.106 7.248
426 HA PRO 60 HA PRO 60 9.599 26.308 5.390
427 HB2 PRO 60 HB2 PRO 60 9.517 27.036 2.766
428 HB3 PRO 60 HB3 PRO 60 11.056 26.900 3.686
429 HG2 PRO 60 HG2 PRO 60 9.763 24.808 1.904
430 HG3 PRO 60 HG3 PRO 60 11.462 25.387 1.861
431 HD2 PRO 60 HD2 PRO 60 10.771 23.101 3.177
432 HD3 PRO 60 HD3 PRO 60 11.999 24.213 3.851
433 H ASP 61 H ASP 61 8.054 23.596 3.801
434 HA ASP 61 HA ASP 61 5.964 23.093 3.259
435 HB2 ASP 61 HB2 ASP 61 5.722 23.320 5.705
436 HB3 ASP 61 HB3 ASP 61 5.193 24.998 5.475
437 H LEU 62 H LEU 62 7.072 24.782 1.434
438 HA LEU 62 HA LEU 62 4.909 26.683 0.828
439 HB2 LEU 62 HB2 LEU 62 7.695 26.496 -0.388
440 HB3 LEU 62 HB3 LEU 62 6.427 27.648 -0.857
441 HG LEU 62 HG LEU 62 7.662 27.436 1.921
442 HD11 LEU 62 1HD1 LEU 62 8.085 29.475 -0.305
443 HD12 LEU 62 2HD1 LEU 62 8.786 29.557 1.330
444 HD13 LEU 62 3HD1 LEU 62 9.263 28.250 0.224
445 HD21 LEU 62 3HD2 LEU 62 5.748 29.466 0.699
446 HD22 LEU 62 1HD2 LEU 62 5.374 28.312 2.004
447 HD23 LEU 62 2HD2 LEU 62 6.534 29.625 2.287
448 H ASP 63 H ASP 63 3.561 26.089 -0.833
449 HA ASP 63 HA ASP 63 4.450 23.865 -2.548
450 HB2 ASP 63 HB2 ASP 63 2.422 23.245 -1.296
451 HB3 ASP 63 HB3 ASP 63 1.621 24.748 -1.798
452 H MET 64 H MET 64 4.960 24.714 -4.596
453 HA MET 64 HA MET 64 3.652 27.252 -5.336
454 HB2 MET 64 HB2 MET 64 6.404 26.288 -6.162
455 HB3 MET 64 HB3 MET 64 5.571 27.723 -6.797
456 HG2 MET 64 HG2 MET 64 5.519 28.731 -4.587
457 HG3 MET 64 HG3 MET 64 6.190 27.270 -3.853
458 HE1 MET 64 HE1 MET 64 8.476 26.313 -5.660
459 HE2 MET 64 HE2 MET 64 9.863 27.191 -4.979
460 HE3 MET 64 HE3 MET 64 8.617 26.521 -3.900
461 H GLU 65 H GLU 65 2.103 26.729 -6.692
462 HA GLU 65 HA GLU 65 1.826 24.306 -8.061
463 HB2 GLU 65 HB2 GLU 65 0.460 26.985 -8.488
464 HB3 GLU 65 HB3 GLU 65 -0.035 25.435 -9.206
465 HG2 GLU 65 HG2 GLU 65 -0.275 24.479 -6.913
466 HG3 GLU 65 HG3 GLU 65 0.102 26.074 -6.231
467 H VAL 66 H VAL 66 2.985 27.511 -9.131
468 HA VAL 66 HA VAL 66 3.090 26.993 -11.871
469 HB VAL 66 HB VAL 66 4.764 28.858 -10.161
470 HG11 VAL 66 1HG1 VAL 66 4.167 28.809 -13.151
471 HG12 VAL 66 2HG1 VAL 66 5.020 30.113 -12.294
472 HG13 VAL 66 3HG1 VAL 66 5.746 28.496 -12.392
473 HG21 VAL 66 3HG2 VAL 66 2.153 29.273 -11.683
474 HG22 VAL 66 1HG2 VAL 66 2.338 29.248 -9.914
475 HG23 VAL 66 2HG2 VAL 66 3.086 30.548 -10.866
476 H VAL 67 H VAL 67 5.574 26.515 -9.260
477 HA VAL 67 HA VAL 67 7.662 25.783 -11.008
478 HB VAL 67 HB VAL 67 7.202 25.082 -8.109
479 HG11 VAL 67 1HG1 VAL 67 9.696 24.927 -9.853
480 HG12 VAL 67 2HG1 VAL 67 9.655 24.696 -8.089
481 HG13 VAL 67 3HG1 VAL 67 8.817 23.547 -9.150
482 HG21 VAL 67 3HG2 VAL 67 8.798 27.285 -9.484
483 HG22 VAL 67 1HG2 VAL 67 7.308 27.505 -8.535
484 HG23 VAL 67 2HG2 VAL 67 8.796 26.953 -7.737
485 H PHE 68 H PHE 68 5.257 23.675 -9.196
486 HA PHE 68 HA PHE 68 6.454 21.360 -10.415
487 HB2 PHE 68 HB2 PHE 68 5.163 19.995 -9.364
488 HB3 PHE 68 HB3 PHE 68 5.416 21.267 -8.196
489 HD1 PHE 68 HD1 PHE 68 2.952 19.582 -10.356
490 HD2 PHE 68 HD2 PHE 68 3.577 22.551 -7.311
491 HE1 PHE 68 HE1 PHE 68 0.527 19.569 -9.843
492 HE2 PHE 68 HE2 PHE 68 1.152 22.541 -6.801
493 HZ PHE 68 HZ PHE 68 -0.375 21.050 -8.067
494 H GLU 69 H GLU 69 3.649 23.328 -11.392
495 HA GLU 69 HA GLU 69 3.037 21.365 -13.418
496 HB2 GLU 69 HB2 GLU 69 1.845 24.097 -12.935
497 HB3 GLU 69 HB3 GLU 69 1.291 22.896 -14.120
498 HG2 GLU 69 HG2 GLU 69 0.848 21.292 -12.287
499 HG3 GLU 69 HG3 GLU 69 1.375 22.505 -11.102
500 H THR 70 H THR 70 5.167 21.340 -14.336
501 HA THR 70 HA THR 70 6.100 23.477 -15.954
502 HB THR 70 HB THR 70 6.600 20.489 -16.074
503 HG1 THR 70 HG1 THR 70 7.144 21.510 -14.095
504 HG21 THR 70 1HG2 THR 70 8.149 22.861 -17.206
505 HG22 THR 70 2HG2 THR 70 8.684 21.163 -17.236
506 HG23 THR 70 3HG2 THR 70 7.244 21.658 -18.155
507 H GLN 71 H GLN 71 3.998 20.586 -16.299
508 HA GLN 71 HA GLN 71 3.477 20.914 -19.100
509 HB2 GLN 71 HB2 GLN 71 1.724 19.178 -18.729
510 HB3 GLN 71 HB3 GLN 71 3.351 18.669 -18.240
511 HG2 GLN 71 HG2 GLN 71 2.801 19.210 -15.873
512 HG3 GLN 71 HG3 GLN 71 1.154 19.649 -16.371
513 HE21 GLN 71 1HE2 GLN 71 -0.271 18.087 -15.872
514 HE22 GLN 71 2HE2 GLN 71 0.015 16.366 -15.997
Start of MODEL 8
1 H1 GLY 1 H1 GLY 1 -13.029 -10.882 -15.287
2 H2 GLY 1 H2 GLY 1 -12.876 -9.807 -13.984
3 H3 GLY 1 H3 GLY 1 -11.720 -9.813 -15.224
4 HA2 GLY 1 HA3 GLY 1 -11.102 -10.937 -13.057
5 HA3 GLY 1 HA2 GLY 1 -12.225 -12.210 -13.593
6 H SER 2 H SER 2 -9.201 -11.976 -13.215
7 HA SER 2 HA SER 2 -8.464 -13.044 -15.852
8 HB2 SER 2 HB2 SER 2 -6.213 -12.140 -15.583
9 HB3 SER 2 HB3 SER 2 -7.407 -10.821 -15.612
10 HG SER 2 HG SER 2 -5.875 -10.600 -13.918
11 H THR 3 H THR 3 -6.878 -14.738 -15.760
12 HA THR 3 HA THR 3 -7.084 -16.276 -13.313
13 HB THR 3 HB THR 3 -5.691 -16.944 -15.896
14 HG1 THR 3 HG1 THR 3 -7.581 -18.218 -16.157
15 HG21 THR 3 1HG2 THR 3 -6.503 -18.621 -13.485
16 HG22 THR 3 2HG2 THR 3 -5.778 -19.239 -14.988
17 HG23 THR 3 3HG2 THR 3 -4.839 -18.167 -13.922
18 H ALA 4 H ALA 4 -6.020 -14.810 -11.964
19 HA ALA 4 HA ALA 4 -3.125 -14.541 -12.367
20 HB1 ALA 4 HB1 ALA 4 -4.992 -12.941 -10.556
21 HB2 ALA 4 HB2 ALA 4 -3.232 -12.725 -10.705
22 HB3 ALA 4 HB3 ALA 4 -4.293 -12.359 -12.086
23 H MET 5 H MET 5 -1.864 -15.388 -10.633
24 HA MET 5 HA MET 5 -3.004 -17.484 -9.136
25 HB2 MET 5 HB2 MET 5 -0.890 -17.792 -8.134
26 HB3 MET 5 HB3 MET 5 -0.565 -17.301 -9.814
27 HG2 MET 5 HG2 MET 5 -0.464 -15.474 -7.385
28 HG3 MET 5 HG3 MET 5 0.941 -16.174 -8.224
29 HE1 MET 5 HE1 MET 5 2.031 -13.832 -8.264
30 HE2 MET 5 HE2 MET 5 1.241 -12.378 -8.919
31 HE3 MET 5 HE3 MET 5 0.607 -13.147 -7.446
32 H ALA 6 H ALA 6 -3.921 -17.636 -7.320
33 HA ALA 6 HA ALA 6 -5.037 -17.167 -5.470
34 HB1 ALA 6 HB1 ALA 6 -2.662 -15.392 -4.866
35 HB2 ALA 6 HB2 ALA 6 -3.899 -15.928 -3.705
36 HB3 ALA 6 HB3 ALA 6 -2.824 -17.120 -4.472
37 H THR 7 H THR 7 -5.631 -15.524 -7.886
38 HA THR 7 HA THR 7 -6.821 -13.800 -8.567
39 HB THR 7 HB THR 7 -8.799 -13.265 -7.395
40 HG1 THR 7 HG1 THR 7 -7.920 -13.294 -5.281
41 HG21 THR 7 1HG2 THR 7 -8.079 -16.221 -7.266
42 HG22 THR 7 2HG2 THR 7 -9.727 -15.550 -7.293
43 HG23 THR 7 3HG2 THR 7 -8.663 -15.352 -8.706
44 H THR 8 H THR 8 -4.317 -12.968 -7.792
45 HA THR 8 HA THR 8 -4.480 -10.680 -6.089
46 HB THR 8 HB THR 8 -2.385 -11.487 -8.110
47 HG1 THR 8 HG1 THR 8 -2.758 -12.977 -6.397
48 HG21 THR 8 1HG2 THR 8 -2.303 -9.533 -5.781
49 HG22 THR 8 2HG2 THR 8 -0.923 -10.001 -6.802
50 HG23 THR 8 3HG2 THR 8 -2.287 -9.098 -7.506
51 H MET 9 H MET 9 -4.756 -8.515 -6.654
52 HA MET 9 HA MET 9 -6.143 -8.065 -9.139
53 HB2 MET 9 HB2 MET 9 -6.688 -6.921 -6.894
54 HB3 MET 9 HB3 MET 9 -5.265 -5.905 -7.222
55 HG2 MET 9 HG2 MET 9 -7.245 -4.795 -8.129
56 HG3 MET 9 HG3 MET 9 -6.240 -5.367 -9.481
57 HE1 MET 9 HE1 MET 9 -8.118 -5.119 -11.228
58 HE2 MET 9 HE2 MET 9 -9.777 -5.725 -11.009
59 HE3 MET 9 HE3 MET 9 -9.158 -4.425 -9.961
60 H GLU 10 H GLU 10 -5.274 -7.252 -10.939
61 HA GLU 10 HA GLU 10 -2.492 -7.276 -11.360
62 HB2 GLU 10 HB2 GLU 10 -4.681 -6.171 -13.126
63 HB3 GLU 10 HB3 GLU 10 -3.008 -6.547 -13.599
64 HG2 GLU 10 HG2 GLU 10 -3.388 -8.926 -12.976
65 HG3 GLU 10 HG3 GLU 10 -5.075 -8.533 -12.568
66 H GLN 11 H GLN 11 -4.661 -4.381 -10.919
67 HA GLN 11 HA GLN 11 -2.490 -2.703 -11.794
68 HB2 GLN 11 HB2 GLN 11 -3.639 -0.768 -10.958
69 HB3 GLN 11 HB3 GLN 11 -4.651 -1.734 -12.059
70 HG2 GLN 11 HG2 GLN 11 -4.894 -2.366 -9.161
71 HG3 GLN 11 HG3 GLN 11 -5.520 -0.783 -9.680
72 HE21 GLN 11 1HE2 GLN 11 -7.688 -1.077 -9.594
73 HE22 GLN 11 2HE2 GLN 11 -8.553 -2.302 -10.493
74 H GLU 12 H GLU 12 -1.421 -1.099 -10.689
75 HA GLU 12 HA GLU 12 -0.234 -2.102 -8.272
76 HB2 GLU 12 HB2 GLU 12 0.368 0.439 -9.818
77 HB3 GLU 12 HB3 GLU 12 1.373 -0.334 -8.568
78 HG2 GLU 12 HG2 GLU 12 1.537 -2.345 -10.083
79 HG3 GLU 12 HG3 GLU 12 0.749 -1.368 -11.345
80 H ILE 13 H ILE 13 -1.905 -2.047 -6.822
81 HA ILE 13 HA ILE 13 -3.240 0.436 -6.155
82 HB ILE 13 HB ILE 13 -4.500 -0.837 -4.568
83 HG12 ILE 13 2HG1 ILE 13 -4.416 -3.355 -4.742
84 HG13 ILE 13 3HG1 ILE 13 -2.815 -3.176 -5.499
85 HG21 ILE 13 1HG2 ILE 13 -4.278 -2.078 -7.349
86 HG22 ILE 13 2HG2 ILE 13 -5.690 -2.195 -6.274
87 HG23 ILE 13 3HG2 ILE 13 -5.206 -0.617 -6.939
88 HD11 ILE 13 3HD1 ILE 13 -1.993 -2.024 -3.486
89 HD12 ILE 13 1HD1 ILE 13 -3.594 -2.203 -2.730
90 HD13 ILE 13 2HD1 ILE 13 -2.620 -3.645 -3.105
91 H CYS 14 H CYS 14 -0.238 -0.742 -4.954
92 HA CYS 14 HA CYS 14 -0.648 -0.023 -2.243
93 HB2 CYS 14 HB2 CYS 14 1.299 -1.379 -2.936
94 HB3 CYS 14 HB3 CYS 14 2.004 0.088 -3.658
95 H ALA 15 H ALA 15 -0.085 1.800 -1.121
96 HA ALA 15 HA ALA 15 -1.031 4.204 -2.190
97 HB1 ALA 15 HB1 ALA 15 0.650 3.706 0.296
98 HB2 ALA 15 HB2 ALA 15 -0.257 5.192 -0.077
99 HB3 ALA 15 HB3 ALA 15 -1.127 3.667 0.212
100 H HIS 16 H HIS 16 2.347 3.070 -1.586
101 HA HIS 16 HA HIS 16 3.567 5.526 -2.190
102 HB2 HIS 16 HB2 HIS 16 4.616 2.703 -2.341
103 HB3 HIS 16 HB3 HIS 16 5.595 4.163 -2.616
104 HD2 HIS 16 HD2 HIS 16 6.801 5.156 -0.450
105 HE1 HIS 16 HE1 HIS 16 4.387 3.260 2.466
106 H SER 17 H SER 17 2.663 2.754 -4.381
107 HA SER 17 HA SER 17 2.178 4.149 -6.637
108 HB2 SER 17 HB2 SER 17 4.170 3.884 -8.085
109 HB3 SER 17 HB3 SER 17 4.400 5.116 -6.820
110 HG SER 17 HG SER 17 6.188 3.707 -7.026
111 H MET 18 H MET 18 4.300 1.383 -5.661
112 HA MET 18 HA MET 18 3.414 -0.213 -7.879
113 HB2 MET 18 HB2 MET 18 5.169 -1.004 -5.563
114 HB3 MET 18 HB3 MET 18 4.976 -1.831 -7.128
115 HG2 MET 18 HG2 MET 18 5.877 0.213 -8.249
116 HG3 MET 18 HG3 MET 18 6.197 0.901 -6.638
117 HE1 MET 18 HE1 MET 18 8.685 1.294 -7.376
118 HE2 MET 18 HE2 MET 18 9.747 0.018 -8.016
119 HE3 MET 18 HE3 MET 18 8.343 0.566 -8.962
120 H THR 19 H THR 19 3.283 -2.711 -7.253
121 HA THR 19 HA THR 19 0.535 -2.996 -6.476
122 HB THR 19 HB THR 19 2.670 -5.033 -7.238
123 HG1 THR 19 HG1 THR 19 2.174 -3.466 -8.853
124 HG21 THR 19 1HG2 THR 19 -0.362 -5.251 -7.215
125 HG22 THR 19 2HG2 THR 19 0.776 -6.488 -7.799
126 HG23 THR 19 3HG2 THR 19 0.746 -6.050 -6.074
127 H PHE 20 H PHE 20 -0.062 -4.757 -4.863
128 HA PHE 20 HA PHE 20 0.857 -4.254 -2.291
129 HB2 PHE 20 HB2 PHE 20 -1.412 -5.105 -2.932
130 HB3 PHE 20 HB3 PHE 20 -0.680 -6.603 -3.554
131 HD1 PHE 20 HD2 PHE 20 -1.404 -4.629 -0.499
132 HD2 PHE 20 HD1 PHE 20 -0.046 -8.380 -2.100
133 HE1 PHE 20 HE2 PHE 20 -1.592 -5.658 1.749
134 HE2 PHE 20 HE1 PHE 20 -0.233 -9.409 0.148
135 HZ PHE 20 HZ PHE 20 -1.007 -8.048 2.075
136 H GLU 21 H GLU 21 1.543 -6.845 -4.704
137 HA GLU 21 HA GLU 21 3.198 -8.484 -3.137
138 HB2 GLU 21 HB2 GLU 21 1.995 -9.114 -5.257
139 HB3 GLU 21 HB3 GLU 21 3.105 -8.055 -6.159
140 HG2 GLU 21 HG2 GLU 21 5.011 -9.404 -5.499
141 HG3 GLU 21 HG3 GLU 21 3.989 -10.396 -4.432
142 H GLU 22 H GLU 22 3.784 -5.619 -5.202
143 HA GLU 22 HA GLU 22 6.668 -5.757 -4.926
144 HB2 GLU 22 HB2 GLU 22 4.846 -3.862 -6.461
145 HB3 GLU 22 HB3 GLU 22 6.625 -3.862 -6.500
146 HG2 GLU 22 HG2 GLU 22 4.874 -6.202 -7.335
147 HG3 GLU 22 HG3 GLU 22 5.603 -5.023 -8.451
148 H CYS 23 H CYS 23 4.400 -4.855 -2.770
149 HA CYS 23 HA CYS 23 4.855 -2.224 -2.131
150 HB2 CYS 23 HB2 CYS 23 3.058 -3.592 -1.137
151 HB3 CYS 23 HB3 CYS 23 4.281 -4.437 -0.158
152 HG CYS 23 HG CYS 23 3.041 -2.666 1.301
153 HA PRO 24 HA PRO 24 8.472 -3.345 0.749
154 HB2 PRO 24 HB2 PRO 24 10.261 -5.241 -0.019
155 HB3 PRO 24 HB3 PRO 24 8.949 -5.534 1.148
156 HG2 PRO 24 HG2 PRO 24 9.028 -6.151 -1.840
157 HG3 PRO 24 HG3 PRO 24 8.416 -7.175 -0.518
158 HD2 PRO 24 HD2 PRO 24 6.715 -5.693 -2.060
159 HD3 PRO 24 HD3 PRO 24 6.403 -5.966 -0.329
160 H LYS 25 H LYS 25 8.712 -3.705 -2.818
161 HA LYS 25 HA LYS 25 11.173 -2.297 -3.061
162 HB2 LYS 25 HB2 LYS 25 9.041 -2.702 -5.150
163 HB3 LYS 25 HB3 LYS 25 10.689 -2.082 -5.402
164 HG2 LYS 25 HG2 LYS 25 11.570 -4.237 -4.426
165 HG3 LYS 25 HG3 LYS 25 9.899 -4.848 -4.402
166 HD2 LYS 25 HD2 LYS 25 10.995 -5.624 -6.434
167 HD3 LYS 25 HD3 LYS 25 9.764 -4.416 -6.873
168 HE2 LYS 25 HE2 LYS 25 11.846 -4.043 -8.126
169 HE3 LYS 25 HE3 LYS 25 11.526 -2.685 -7.022
170 HZ1 LYS 25 HZ1 LYS 25 13.368 -4.905 -6.514
171 HZ2 LYS 25 HZ2 LYS 25 13.794 -3.375 -6.959
172 HZ3 LYS 25 HZ3 LYS 25 13.076 -3.639 -5.498
173 H CYS 26 H CYS 26 7.855 -1.238 -2.492
174 HA CYS 26 HA CYS 26 7.941 1.297 -3.661
175 HB2 CYS 26 HB2 CYS 26 6.404 0.197 -1.293
176 HB3 CYS 26 HB3 CYS 26 6.174 1.826 -1.971
177 HG CYS 26 HG CYS 26 4.240 0.281 -2.691
178 H SER 27 H SER 27 9.155 -0.010 -0.554
179 HA SER 27 HA SER 27 9.583 2.398 0.819
180 HB2 SER 27 HB2 SER 27 11.092 -0.231 1.007
181 HB3 SER 27 HB3 SER 27 11.140 1.101 2.186
182 HG SER 27 HG SER 27 9.637 -0.533 2.756
183 H ALA 28 H ALA 28 11.537 0.563 -1.594
184 HA ALA 28 HA ALA 28 13.923 2.080 -1.262
185 HB1 ALA 28 HB1 ALA 28 12.942 0.525 -3.681
186 HB2 ALA 28 HB2 ALA 28 14.582 1.170 -3.434
187 HB3 ALA 28 HB3 ALA 28 13.963 -0.118 -2.373
188 H LEU 29 H LEU 29 14.504 3.992 -2.324
189 HA LEU 29 HA LEU 29 12.328 5.454 -3.595
190 HB2 LEU 29 HB2 LEU 29 14.803 6.147 -2.090
191 HB3 LEU 29 HB3 LEU 29 14.327 7.241 -3.411
192 HG LEU 29 HG LEU 29 12.022 7.344 -2.397
193 HD11 LEU 29 1HD1 LEU 29 13.352 5.917 -0.075
194 HD12 LEU 29 2HD1 LEU 29 11.732 6.652 -0.068
195 HD13 LEU 29 3HD1 LEU 29 12.072 5.256 -1.119
196 HD21 LEU 29 3HD2 LEU 29 14.348 8.194 -0.625
197 HD22 LEU 29 1HD2 LEU 29 13.707 9.103 -2.014
198 HD23 LEU 29 2HD2 LEU 29 12.699 8.860 -0.567
199 H GLN 30 H GLN 30 14.167 3.304 -4.985
200 HA GLN 30 HA GLN 30 15.793 4.534 -6.854
201 HB2 GLN 30 HB2 GLN 30 14.087 2.008 -7.105
202 HB3 GLN 30 HB3 GLN 30 15.430 2.456 -8.182
203 HG2 GLN 30 HG2 GLN 30 16.988 2.410 -6.266
204 HG3 GLN 30 HG3 GLN 30 15.656 1.964 -5.183
205 HE21 GLN 30 2HE2 GLN 30 18.234 0.557 -6.110
206 HE22 GLN 30 1HE2 GLN 30 17.689 -1.024 -6.624
207 H TYR 31 H TYR 31 12.287 3.670 -7.037
208 HA TYR 31 HA TYR 31 11.842 4.393 -9.699
209 HB2 TYR 31 HB2 TYR 31 10.274 2.983 -8.474
210 HB3 TYR 31 HB3 TYR 31 10.041 4.226 -7.241
211 HD1 TYR 31 HD1 TYR 31 9.565 3.616 -10.911
212 HD2 TYR 31 HD2 TYR 31 8.278 5.741 -7.401
213 HE1 TYR 31 HE1 TYR 31 7.639 4.535 -12.178
214 HE2 TYR 31 HE2 TYR 31 6.351 6.664 -8.655
215 HH TYR 31 HH TYR 31 5.250 6.747 -10.664
216 H ARG 32 H ARG 32 11.601 6.243 -6.662
217 HA ARG 32 HA ARG 32 10.440 8.584 -7.718
218 HB2 ARG 32 HB2 ARG 32 11.897 7.880 -5.157
219 HB3 ARG 32 HB3 ARG 32 11.139 9.473 -5.461
220 HG2 ARG 32 HG2 ARG 32 8.969 8.533 -5.702
221 HG3 ARG 32 HG3 ARG 32 9.603 6.917 -6.012
222 HD2 ARG 32 HD2 ARG 32 8.625 6.846 -3.876
223 HD3 ARG 32 HD3 ARG 32 10.381 6.770 -3.659
224 HE ARG 32 HE ARG 32 9.608 9.485 -3.461
225 HH11 ARG 32 2HH1 ARG 32 9.106 6.390 -1.808
226 HH12 ARG 32 1HH1 ARG 32 8.859 7.116 -0.235
227 HH21 ARG 32 2HH2 ARG 32 9.278 10.430 -1.379
228 HH22 ARG 32 1HH2 ARG 32 8.957 9.412 0.006
229 H ASN 33 H ASN 33 13.861 7.599 -7.243
230 HA ASN 33 HA ASN 33 14.923 10.139 -7.926
231 HB2 ASN 33 HB2 ASN 33 16.191 7.381 -8.172
232 HB3 ASN 33 HB3 ASN 33 17.038 8.934 -8.340
233 HD21 ASN 33 1HD2 ASN 33 16.766 6.491 -6.247
234 HD22 ASN 33 2HD2 ASN 33 16.822 7.338 -4.717
235 H GLY 34 H GLY 34 15.841 10.829 -9.935
236 HA2 GLY 34 HA2 GLY 34 16.330 10.623 -12.175
237 HA3 GLY 34 HA3 GLY 34 15.299 9.192 -12.287
238 H PHE 35 H PHE 35 13.312 11.232 -10.557
239 HA PHE 35 HA PHE 35 11.876 12.059 -12.927
240 HB2 PHE 35 HB2 PHE 35 11.233 12.196 -9.998
241 HB3 PHE 35 HB3 PHE 35 10.400 13.223 -11.167
242 HD1 PHE 35 HD1 PHE 35 10.892 9.707 -10.087
243 HD2 PHE 35 HD2 PHE 35 8.868 12.354 -12.801
244 HE1 PHE 35 HE1 PHE 35 9.279 7.914 -10.626
245 HE2 PHE 35 HE2 PHE 35 7.269 10.544 -13.363
246 HZ PHE 35 HZ PHE 35 7.469 8.325 -12.269
247 H TYR 36 H TYR 36 11.551 14.155 -13.595
248 HA TYR 36 HA TYR 36 13.638 15.985 -13.226
249 HB2 TYR 36 HB2 TYR 36 12.387 15.819 -15.294
250 HB3 TYR 36 HB3 TYR 36 10.873 16.193 -14.463
251 HD1 TYR 36 HD1 TYR 36 14.307 17.742 -14.625
252 HD2 TYR 36 HD2 TYR 36 10.051 18.298 -14.902
253 HE1 TYR 36 HE1 TYR 36 14.655 20.162 -15.036
254 HE2 TYR 36 HE2 TYR 36 10.386 20.718 -15.312
255 HH TYR 36 HH TYR 36 13.656 22.192 -15.428
256 H LEU 37 H LEU 37 10.260 16.099 -11.791
257 HA LEU 37 HA LEU 37 11.455 18.034 -9.907
258 HB2 LEU 37 HB2 LEU 37 8.662 18.196 -11.065
259 HB3 LEU 37 HB3 LEU 37 9.269 19.156 -9.705
260 HG LEU 37 HG LEU 37 10.474 19.179 -12.501
261 HD11 LEU 37 1HD1 LEU 37 8.636 21.185 -11.132
262 HD12 LEU 37 2HD1 LEU 37 9.361 21.361 -12.746
263 HD13 LEU 37 3HD1 LEU 37 8.158 20.086 -12.448
264 HD21 LEU 37 3HD2 LEU 37 10.879 20.979 -10.069
265 HD22 LEU 37 1HD2 LEU 37 12.069 19.832 -10.729
266 HD23 LEU 37 2HD2 LEU 37 11.584 21.249 -11.681
267 H LEU 38 H LEU 38 11.326 17.392 -7.876
268 HA LEU 38 HA LEU 38 9.983 15.036 -7.081
269 HB2 LEU 38 HB2 LEU 38 11.126 17.283 -5.401
270 HB3 LEU 38 HB3 LEU 38 10.514 15.741 -4.781
271 HG LEU 38 HG LEU 38 12.852 16.058 -6.710
272 HD11 LEU 38 1HD1 LEU 38 12.732 15.323 -3.752
273 HD12 LEU 38 2HD1 LEU 38 14.200 15.360 -4.756
274 HD13 LEU 38 3HD1 LEU 38 13.318 16.867 -4.415
275 HD21 LEU 38 3HD2 LEU 38 11.678 13.615 -5.306
276 HD22 LEU 38 1HD2 LEU 38 11.730 13.909 -7.062
277 HD23 LEU 38 2HD2 LEU 38 13.235 13.639 -6.166
278 H LYS 39 H LYS 39 9.317 18.507 -6.906
279 HA LYS 39 HA LYS 39 7.137 18.555 -5.176
280 HB2 LYS 39 HB2 LYS 39 7.868 20.408 -7.483
281 HB3 LYS 39 HB3 LYS 39 6.693 20.761 -6.205
282 HG2 LYS 39 HG2 LYS 39 8.488 20.618 -4.506
283 HG3 LYS 39 HG3 LYS 39 9.675 20.287 -5.795
284 HD2 LYS 39 HD2 LYS 39 9.109 22.442 -6.875
285 HD3 LYS 39 HD3 LYS 39 7.908 22.769 -5.606
286 HE2 LYS 39 HE2 LYS 39 9.695 22.730 -3.899
287 HE3 LYS 39 HE3 LYS 39 10.898 22.402 -5.165
288 HZ1 LYS 39 HZ1 LYS 39 10.312 24.485 -6.172
289 HZ2 LYS 39 HZ2 LYS 39 10.804 24.716 -4.615
290 HZ3 LYS 39 HZ3 LYS 39 9.200 24.792 -4.994
291 H TYR 40 H TYR 40 7.290 17.597 -8.611
292 HA TYR 40 HA TYR 40 4.679 18.320 -9.358
293 HB2 TYR 40 HB2 TYR 40 6.417 17.746 -10.991
294 HB3 TYR 40 HB3 TYR 40 6.447 16.079 -10.393
295 HD1 TYR 40 HD1 TYR 40 4.275 18.651 -11.991
296 HD2 TYR 40 HD2 TYR 40 4.869 14.474 -11.171
297 HE1 TYR 40 HE1 TYR 40 2.391 18.098 -13.505
298 HE2 TYR 40 HE2 TYR 40 2.997 13.902 -12.692
299 HH TYR 40 HH TYR 40 1.122 16.431 -14.428
300 H ASP 41 H ASP 41 2.740 17.458 -9.063
301 HA ASP 41 HA ASP 41 2.503 15.422 -7.030
302 HB2 ASP 41 HB2 ASP 41 1.023 17.379 -6.941
303 HB3 ASP 41 HB3 ASP 41 0.380 16.982 -8.547
304 H GLU 42 H GLU 42 2.413 13.409 -7.355
305 HA GLU 42 HA GLU 42 1.034 12.238 -9.617
306 HB2 GLU 42 HB2 GLU 42 3.459 12.579 -10.296
307 HB3 GLU 42 HB3 GLU 42 3.908 11.451 -9.009
308 HG2 GLU 42 HG2 GLU 42 2.617 9.667 -10.097
309 HG3 GLU 42 HG3 GLU 42 2.006 10.818 -11.306
310 H GLU 43 H GLU 43 1.401 9.561 -8.953
311 HA GLU 43 HA GLU 43 0.037 9.261 -6.528
312 HB2 GLU 43 HB2 GLU 43 -0.126 7.705 -8.425
313 HB3 GLU 43 HB3 GLU 43 1.564 7.218 -8.174
314 HG2 GLU 43 HG2 GLU 43 1.015 6.377 -5.932
315 HG3 GLU 43 HG3 GLU 43 -0.654 6.954 -6.103
316 H TRP 44 H TRP 44 3.545 8.890 -7.331
317 HA TRP 44 HA TRP 44 4.268 7.892 -4.767
318 HB2 TRP 44 HB2 TRP 44 6.545 8.321 -5.395
319 HB3 TRP 44 HB3 TRP 44 5.671 7.416 -6.627
320 HD1 TRP 44 HD1 TRP 44 5.113 8.693 -8.926
321 HE1 TRP 44 HE1 TRP 44 6.326 10.577 -10.136
322 HE3 TRP 44 HE3 TRP 44 7.837 10.514 -5.007
323 HZ2 TRP 44 HZ2 TRP 44 8.353 12.552 -9.509
324 HZ3 TRP 44 HZ3 TRP 44 9.442 12.365 -5.355
325 HH2 TRP 44 HH2 TRP 44 9.746 13.328 -7.630
326 H TYR 45 H TYR 45 5.345 8.847 -3.040
327 HA TYR 45 HA TYR 45 4.224 11.349 -2.283
328 HB2 TYR 45 HB2 TYR 45 6.464 9.723 -0.998
329 HB3 TYR 45 HB3 TYR 45 5.679 11.138 -0.278
330 HD1 TYR 45 HD2 TYR 45 3.233 11.052 0.281
331 HD2 TYR 45 HD1 TYR 45 5.443 7.560 -0.907
332 HE1 TYR 45 HE2 TYR 45 1.433 9.611 1.197
333 HE2 TYR 45 HE1 TYR 45 3.649 6.110 0.006
334 HH TYR 45 HH TYR 45 1.613 6.028 1.052
335 HA PRO 46 HA PRO 46 7.380 13.908 -4.114
336 HB2 PRO 46 HB2 PRO 46 6.034 15.908 -2.302
337 HB3 PRO 46 HB3 PRO 46 6.487 16.096 -4.027
338 HG2 PRO 46 HG2 PRO 46 3.914 15.621 -3.369
339 HG3 PRO 46 HG3 PRO 46 4.663 14.704 -4.723
340 HD2 PRO 46 HD2 PRO 46 4.261 13.811 -1.854
341 HD3 PRO 46 HD3 PRO 46 3.918 12.927 -3.376
342 H GLU 47 H GLU 47 6.784 13.889 -0.555
343 HA GLU 47 HA GLU 47 9.353 15.056 -0.018
344 HB2 GLU 47 HB2 GLU 47 7.486 15.288 1.619
345 HB3 GLU 47 HB3 GLU 47 7.499 13.529 1.856
346 HG2 GLU 47 HG2 GLU 47 9.857 13.645 2.609
347 HG3 GLU 47 HG3 GLU 47 9.862 15.396 2.334
348 H GLU 48 H GLU 48 11.249 13.875 0.046
349 HA GLU 48 HA GLU 48 11.002 10.965 -0.198
350 HB2 GLU 48 HB2 GLU 48 13.217 12.845 -0.959
351 HB3 GLU 48 HB3 GLU 48 13.400 11.083 -0.884
352 HG2 GLU 48 HG2 GLU 48 11.517 10.865 -2.506
353 HG3 GLU 48 HG3 GLU 48 11.432 12.638 -2.614
354 H LEU 49 H LEU 49 11.708 9.590 1.144
355 HA LEU 49 HA LEU 49 12.247 10.204 3.810
356 HB2 LEU 49 HB2 LEU 49 12.856 7.656 2.247
357 HB3 LEU 49 HB3 LEU 49 12.688 7.798 4.007
358 HG LEU 49 HG LEU 49 10.487 8.320 1.957
359 HD11 LEU 49 1HD1 LEU 49 10.915 6.036 3.925
360 HD12 LEU 49 2HD1 LEU 49 9.507 6.245 2.857
361 HD13 LEU 49 3HD1 LEU 49 11.114 5.940 2.159
362 HD21 LEU 49 3HD2 LEU 49 10.437 8.274 5.007
363 HD22 LEU 49 1HD2 LEU 49 10.191 9.704 3.974
364 HD23 LEU 49 2HD2 LEU 49 9.005 8.383 3.956
365 H LEU 50 H LEU 50 14.460 9.156 1.130
366 HA LEU 50 HA LEU 50 16.773 8.922 2.697
367 HB2 LEU 50 HB2 LEU 50 16.462 9.495 -0.260
368 HB3 LEU 50 HB3 LEU 50 18.015 9.213 0.548
369 HG LEU 50 HG LEU 50 15.706 7.224 0.585
370 HD11 LEU 50 1HD1 LEU 50 18.235 7.294 -1.118
371 HD12 LEU 50 2HD1 LEU 50 17.030 5.984 -1.091
372 HD13 LEU 50 3HD1 LEU 50 16.584 7.592 -1.707
373 HD21 LEU 50 3HD2 LEU 50 18.647 7.001 1.350
374 HD22 LEU 50 1HD2 LEU 50 17.264 6.957 2.469
375 HD23 LEU 50 2HD2 LEU 50 17.493 5.648 1.294
376 H THR 51 H THR 51 15.385 11.719 0.857
377 HA THR 51 HA THR 51 17.717 13.305 1.504
378 HB THR 51 HB THR 51 16.556 15.088 0.328
379 HG1 THR 51 HG1 THR 51 14.440 14.426 0.811
380 HG21 THR 51 1HG2 THR 51 16.577 12.433 -1.174
381 HG22 THR 51 2HG2 THR 51 16.637 14.051 -1.910
382 HG23 THR 51 3HG2 THR 51 17.993 13.479 -0.911
383 H ASP 52 H ASP 52 17.710 13.349 3.821
384 HA ASP 52 HA ASP 52 15.302 14.534 4.997
385 HB2 ASP 52 HB2 ASP 52 16.206 12.635 6.237
386 HB3 ASP 52 HB3 ASP 52 17.810 13.394 6.296
387 H GLY 53 H GLY 53 15.336 16.638 4.379
388 HA2 GLY 53 HA2 GLY 53 15.812 18.798 4.744
389 HA3 GLY 53 HA3 GLY 53 17.375 18.358 5.438
390 H GLU 54 H GLU 54 17.573 16.643 2.633
391 HA GLU 54 HA GLU 54 19.218 18.600 1.377
392 HB2 GLU 54 HB2 GLU 54 18.228 15.953 0.285
393 HB3 GLU 54 HB3 GLU 54 19.512 16.969 -0.385
394 HG2 GLU 54 HG2 GLU 54 20.781 16.740 1.744
395 HG3 GLU 54 HG3 GLU 54 19.512 15.666 2.369
396 H ASP 55 H ASP 55 15.917 17.296 0.735
397 HA ASP 55 HA ASP 55 15.500 18.656 -1.700
398 HB2 ASP 55 HB2 ASP 55 13.123 18.206 -1.363
399 HB3 ASP 55 HB3 ASP 55 14.095 16.752 -1.079
400 H ASP 56 H ASP 56 14.794 19.426 1.705
401 HA ASP 56 HA ASP 56 14.107 21.200 2.829
402 HB2 ASP 56 HB2 ASP 56 16.387 21.930 2.230
403 HB3 ASP 56 HB3 ASP 56 15.721 22.784 0.825
404 H VAL 57 H VAL 57 12.128 20.182 1.099
405 HA VAL 57 HA VAL 57 10.886 22.642 0.057
406 HB VAL 57 HB VAL 57 10.099 19.738 -0.340
407 HG11 VAL 57 1HG1 VAL 57 8.990 22.330 -1.504
408 HG12 VAL 57 2HG1 VAL 57 8.511 20.688 -1.995
409 HG13 VAL 57 3HG1 VAL 57 8.157 21.261 -0.351
410 HG21 VAL 57 3HG2 VAL 57 11.360 21.784 -2.216
411 HG22 VAL 57 1HG2 VAL 57 12.161 20.342 -1.548
412 HG23 VAL 57 2HG2 VAL 57 10.805 20.159 -2.681
413 H PHE 58 H PHE 58 10.440 19.671 2.062
414 HA PHE 58 HA PHE 58 7.976 20.503 3.209
415 HB2 PHE 58 HB2 PHE 58 9.686 18.131 3.609
416 HB3 PHE 58 HB3 PHE 58 8.319 18.539 4.677
417 HD1 PHE 58 HD1 PHE 58 9.254 17.903 1.117
418 HD2 PHE 58 HD2 PHE 58 6.051 18.474 3.929
419 HE1 PHE 58 HE1 PHE 58 7.605 17.305 -0.637
420 HE2 PHE 58 HE2 PHE 58 4.404 17.874 2.177
421 HZ PHE 58 HZ PHE 58 5.180 17.293 -0.109
422 H ASP 59 H ASP 59 11.265 21.019 4.474
423 HA ASP 59 HA ASP 59 10.317 21.690 7.045
424 HB2 ASP 59 HB2 ASP 59 12.783 22.797 5.681
425 HB3 ASP 59 HB3 ASP 59 12.422 22.780 7.419
426 HA PRO 60 HA PRO 60 9.702 26.141 5.684
427 HB2 PRO 60 HB2 PRO 60 9.691 27.015 3.102
428 HB3 PRO 60 HB3 PRO 60 11.201 26.862 4.070
429 HG2 PRO 60 HG2 PRO 60 10.023 24.859 2.119
430 HG3 PRO 60 HG3 PRO 60 11.711 25.461 2.183
431 HD2 PRO 60 HD2 PRO 60 11.000 23.089 3.325
432 HD3 PRO 60 HD3 PRO 60 12.189 24.171 4.110
433 H ASP 61 H ASP 61 8.299 23.534 3.822
434 HA ASP 61 HA ASP 61 6.282 22.975 3.145
435 HB2 ASP 61 HB2 ASP 61 5.996 22.962 5.624
436 HB3 ASP 61 HB3 ASP 61 5.243 24.563 5.490
437 H LEU 62 H LEU 62 7.308 24.916 1.552
438 HA LEU 62 HA LEU 62 4.996 26.662 1.026
439 HB2 LEU 62 HB2 LEU 62 7.838 26.896 -0.056
440 HB3 LEU 62 HB3 LEU 62 6.480 27.979 -0.422
441 HG LEU 62 HG LEU 62 7.698 27.529 2.338
442 HD11 LEU 62 1HD1 LEU 62 7.886 29.879 0.408
443 HD12 LEU 62 2HD1 LEU 62 8.568 29.825 2.051
444 HD13 LEU 62 3HD1 LEU 62 9.196 28.737 0.791
445 HD21 LEU 62 3HD2 LEU 62 5.565 29.476 1.361
446 HD22 LEU 62 1HD2 LEU 62 5.319 28.121 2.490
447 HD23 LEU 62 2HD2 LEU 62 6.320 29.505 2.972
448 H ASP 63 H ASP 63 3.806 25.989 -0.771
449 HA ASP 63 HA ASP 63 5.092 24.027 -2.558
450 HB2 ASP 63 HB2 ASP 63 3.078 23.181 -1.323
451 HB3 ASP 63 HB3 ASP 63 2.113 24.473 -2.066
452 H MET 64 H MET 64 5.525 24.867 -4.578
453 HA MET 64 HA MET 64 4.182 27.387 -5.298
454 HB2 MET 64 HB2 MET 64 6.873 26.308 -6.236
455 HB3 MET 64 HB3 MET 64 6.104 27.822 -6.766
456 HG2 MET 64 HG2 MET 64 6.153 28.660 -4.447
457 HG3 MET 64 HG3 MET 64 6.880 27.142 -3.903
458 HE1 MET 64 HE1 MET 64 8.754 28.401 -2.656
459 HE2 MET 64 HE2 MET 64 9.775 29.665 -3.382
460 HE3 MET 64 HE3 MET 64 8.032 29.948 -3.160
461 H GLU 65 H GLU 65 2.555 26.881 -6.604
462 HA GLU 65 HA GLU 65 2.204 24.471 -7.980
463 HB2 GLU 65 HB2 GLU 65 0.853 27.159 -8.385
464 HB3 GLU 65 HB3 GLU 65 0.314 25.599 -9.051
465 HG2 GLU 65 HG2 GLU 65 0.117 24.697 -6.743
466 HG3 GLU 65 HG3 GLU 65 0.593 26.278 -6.093
467 H VAL 66 H VAL 66 3.370 27.666 -9.053
468 HA VAL 66 HA VAL 66 3.369 27.177 -11.807
469 HB VAL 66 HB VAL 66 5.104 29.020 -10.136
470 HG11 VAL 66 1HG1 VAL 66 4.424 28.992 -13.109
471 HG12 VAL 66 2HG1 VAL 66 5.309 30.286 -12.266
472 HG13 VAL 66 3HG1 VAL 66 6.022 28.665 -12.396
473 HG21 VAL 66 3HG2 VAL 66 2.455 29.457 -11.584
474 HG22 VAL 66 1HG2 VAL 66 2.688 29.421 -9.820
475 HG23 VAL 66 2HG2 VAL 66 3.417 30.722 -10.785
476 H VAL 67 H VAL 67 5.929 26.638 -9.281
477 HA VAL 67 HA VAL 67 7.941 25.901 -11.111
478 HB VAL 67 HB VAL 67 7.583 25.165 -8.209
479 HG11 VAL 67 1HG1 VAL 67 10.008 25.012 -10.047
480 HG12 VAL 67 2HG1 VAL 67 10.025 24.745 -8.288
481 HG13 VAL 67 3HG1 VAL 67 9.134 23.630 -9.342
482 HG21 VAL 67 3HG2 VAL 67 9.173 27.371 -9.587
483 HG22 VAL 67 1HG2 VAL 67 7.704 27.598 -8.608
484 HG23 VAL 67 2HG2 VAL 67 9.194 27.006 -7.845
485 H PHE 68 H PHE 68 5.544 23.795 -9.254
486 HA PHE 68 HA PHE 68 6.674 21.468 -10.498
487 HB2 PHE 68 HB2 PHE 68 5.339 20.119 -9.464
488 HB3 PHE 68 HB3 PHE 68 5.560 21.397 -8.290
489 HD1 PHE 68 HD1 PHE 68 3.188 19.711 -10.540
490 HD2 PHE 68 HD2 PHE 68 3.680 22.711 -7.503
491 HE1 PHE 68 HE1 PHE 68 0.742 19.709 -10.147
492 HE2 PHE 68 HE2 PHE 68 1.232 22.706 -7.105
493 HZ PHE 68 HZ PHE 68 -0.238 21.208 -8.429
494 H GLU 69 H GLU 69 3.948 23.561 -11.459
495 HA GLU 69 HA GLU 69 3.229 21.650 -13.493
496 HB2 GLU 69 HB2 GLU 69 2.227 24.452 -13.043
497 HB3 GLU 69 HB3 GLU 69 1.602 23.304 -14.237
498 HG2 GLU 69 HG2 GLU 69 0.986 21.741 -12.426
499 HG3 GLU 69 HG3 GLU 69 1.653 22.856 -11.222
500 H THR 70 H THR 70 5.172 21.359 -14.509
501 HA THR 70 HA THR 70 6.529 23.287 -16.036
502 HB THR 70 HB THR 70 6.219 20.283 -16.400
503 HG1 THR 70 HG1 THR 70 7.063 20.941 -14.374
504 HG21 THR 70 1HG2 THR 70 8.318 22.249 -17.415
505 HG22 THR 70 2HG2 THR 70 8.388 20.480 -17.592
506 HG23 THR 70 3HG2 THR 70 7.110 21.404 -18.413
507 H GLN 71 H GLN 71 3.818 21.007 -16.590
508 HA GLN 71 HA GLN 71 3.380 21.623 -19.341
509 HB2 GLN 71 HB2 GLN 71 0.961 20.649 -18.609
510 HB3 GLN 71 HB3 GLN 71 2.346 19.680 -19.087
511 HG2 GLN 71 HG2 GLN 71 1.613 18.566 -17.229
512 HG3 GLN 71 HG3 GLN 71 2.941 19.528 -16.579
513 HE21 GLN 71 1HE2 GLN 71 2.479 21.164 -15.068
514 HE22 GLN 71 2HE2 GLN 71 0.885 21.398 -14.384
Start of MODEL 9
1 H1 GLY 1 H1 GLY 1 -13.163 -10.750 -15.122
2 H2 GLY 1 H2 GLY 1 -12.987 -9.683 -13.815
3 H3 GLY 1 H3 GLY 1 -11.851 -9.685 -15.075
4 HA2 GLY 1 HA3 GLY 1 -11.201 -10.822 -12.924
5 HA3 GLY 1 HA2 GLY 1 -12.335 -12.090 -13.449
6 H SER 2 H SER 2 -9.305 -11.864 -13.118
7 HA SER 2 HA SER 2 -8.612 -12.918 -15.773
8 HB2 SER 2 HB2 SER 2 -6.355 -12.021 -15.535
9 HB3 SER 2 HB3 SER 2 -7.547 -10.699 -15.537
10 HG SER 2 HG SER 2 -5.987 -10.491 -13.866
11 H THR 3 H THR 3 -7.029 -14.616 -15.716
12 HA THR 3 HA THR 3 -7.199 -16.168 -13.275
13 HB THR 3 HB THR 3 -5.849 -16.824 -15.884
14 HG1 THR 3 HG1 THR 3 -7.746 -18.092 -16.121
15 HG21 THR 3 1HG2 THR 3 -6.627 -18.513 -13.469
16 HG22 THR 3 2HG2 THR 3 -5.926 -19.124 -14.988
17 HG23 THR 3 3HG2 THR 3 -4.968 -18.061 -13.931
18 H ALA 4 H ALA 4 -6.111 -14.712 -11.935
19 HA ALA 4 HA ALA 4 -3.222 -14.447 -12.383
20 HB1 ALA 4 HB1 ALA 4 -5.056 -12.854 -10.533
21 HB2 ALA 4 HB2 ALA 4 -3.298 -12.641 -10.708
22 HB3 ALA 4 HB3 ALA 4 -4.380 -12.264 -12.070
23 H MET 5 H MET 5 -1.935 -15.306 -10.674
24 HA MET 5 HA MET 5 -3.055 -17.409 -9.171
25 HB2 MET 5 HB2 MET 5 -0.926 -17.727 -8.205
26 HB3 MET 5 HB3 MET 5 -0.627 -17.227 -9.886
27 HG2 MET 5 HG2 MET 5 -0.483 -15.415 -7.449
28 HG3 MET 5 HG3 MET 5 0.906 -16.113 -8.315
29 HE1 MET 5 HE1 MET 5 2.001 -13.772 -8.359
30 HE2 MET 5 HE2 MET 5 1.204 -12.313 -8.993
31 HE3 MET 5 HE3 MET 5 0.592 -13.090 -7.514
32 H ALA 6 H ALA 6 -3.944 -17.569 -7.341
33 HA ALA 6 HA ALA 6 -5.029 -17.109 -5.471
34 HB1 ALA 6 HB1 ALA 6 -2.640 -15.342 -4.894
35 HB2 ALA 6 HB2 ALA 6 -3.860 -15.882 -3.717
36 HB3 ALA 6 HB3 ALA 6 -2.800 -17.072 -4.509
37 H THR 7 H THR 7 -5.657 -15.451 -7.868
38 HA THR 7 HA THR 7 -6.855 -13.720 -8.519
39 HB THR 7 HB THR 7 -8.813 -13.187 -7.313
40 HG1 THR 7 HG1 THR 7 -7.900 -13.230 -5.213
41 HG21 THR 7 1HG2 THR 7 -8.097 -16.146 -7.213
42 HG22 THR 7 2HG2 THR 7 -9.744 -15.471 -7.210
43 HG23 THR 7 3HG2 THR 7 -8.702 -15.268 -8.637
44 H THR 8 H THR 8 -4.337 -12.898 -7.780
45 HA THR 8 HA THR 8 -4.467 -10.620 -6.062
46 HB THR 8 HB THR 8 -2.407 -11.420 -8.121
47 HG1 THR 8 HG1 THR 8 -2.756 -12.919 -6.410
48 HG21 THR 8 1HG2 THR 8 -2.283 -9.479 -5.782
49 HG22 THR 8 2HG2 THR 8 -0.921 -9.944 -6.828
50 HG23 THR 8 3HG2 THR 8 -2.293 -9.034 -7.504
51 H MET 9 H MET 9 -4.748 -8.450 -6.610
52 HA MET 9 HA MET 9 -6.173 -7.983 -9.070
53 HB2 MET 9 HB2 MET 9 -6.680 -6.852 -6.809
54 HB3 MET 9 HB3 MET 9 -5.259 -5.836 -7.155
55 HG2 MET 9 HG2 MET 9 -7.252 -4.717 -8.023
56 HG3 MET 9 HG3 MET 9 -6.270 -5.283 -9.395
57 HE1 MET 9 HE1 MET 9 -8.175 -5.021 -11.110
58 HE2 MET 9 HE2 MET 9 -9.832 -5.624 -10.868
59 HE3 MET 9 HE3 MET 9 -9.193 -4.333 -9.822
60 H GLU 10 H GLU 10 -5.332 -7.162 -10.879
61 HA GLU 10 HA GLU 10 -2.556 -7.189 -11.344
62 HB2 GLU 10 HB2 GLU 10 -4.771 -6.070 -13.069
63 HB3 GLU 10 HB3 GLU 10 -3.107 -6.447 -13.570
64 HG2 GLU 10 HG2 GLU 10 -3.482 -8.828 -12.955
65 HG3 GLU 10 HG3 GLU 10 -5.161 -8.434 -12.518
66 H GLN 11 H GLN 11 -4.712 -4.292 -10.852
67 HA GLN 11 HA GLN 11 -2.551 -2.614 -11.752
68 HB2 GLN 11 HB2 GLN 11 -3.683 -0.681 -10.886
69 HB3 GLN 11 HB3 GLN 11 -4.714 -1.638 -11.976
70 HG2 GLN 11 HG2 GLN 11 -4.912 -2.287 -9.078
71 HG3 GLN 11 HG3 GLN 11 -5.543 -0.700 -9.579
72 HE21 GLN 11 1HE2 GLN 11 -7.709 -0.989 -9.459
73 HE22 GLN 11 2HE2 GLN 11 -8.592 -2.208 -10.351
74 H GLU 12 H GLU 12 -1.461 -1.018 -10.655
75 HA GLU 12 HA GLU 12 -0.238 -2.038 -8.263
76 HB2 GLU 12 HB2 GLU 12 0.345 0.511 -9.804
77 HB3 GLU 12 HB3 GLU 12 1.368 -0.271 -8.575
78 HG2 GLU 12 HG2 GLU 12 1.503 -2.274 -10.104
79 HG3 GLU 12 HG3 GLU 12 0.697 -1.288 -11.347
80 H ILE 13 H ILE 13 -1.885 -1.988 -6.786
81 HA ILE 13 HA ILE 13 -3.204 0.494 -6.083
82 HB ILE 13 HB ILE 13 -4.441 -0.785 -4.484
83 HG12 ILE 13 2HG1 ILE 13 -4.366 -3.303 -4.674
84 HG13 ILE 13 3HG1 ILE 13 -2.777 -3.123 -5.455
85 HG21 ILE 13 1HG2 ILE 13 -4.266 -2.010 -7.275
86 HG22 ILE 13 2HG2 ILE 13 -5.661 -2.131 -6.178
87 HG23 ILE 13 3HG2 ILE 13 -5.185 -0.550 -6.842
88 HD11 ILE 13 3HD1 ILE 13 -1.920 -1.984 -3.449
89 HD12 ILE 13 1HD1 ILE 13 -3.509 -2.163 -2.668
90 HD13 ILE 13 2HD1 ILE 13 -2.544 -3.605 -3.067
91 H CYS 14 H CYS 14 -0.186 -0.698 -4.937
92 HA CYS 14 HA CYS 14 -0.551 0.007 -2.216
93 HB2 CYS 14 HB2 CYS 14 1.383 -1.349 -2.948
94 HB3 CYS 14 HB3 CYS 14 2.079 0.120 -3.673
95 H ALA 15 H ALA 15 0.034 1.822 -1.093
96 HA ALA 15 HA ALA 15 -0.923 4.234 -2.133
97 HB1 ALA 15 HB1 ALA 15 0.797 3.718 0.323
98 HB2 ALA 15 HB2 ALA 15 -0.113 5.208 -0.027
99 HB3 ALA 15 HB3 ALA 15 -0.982 3.683 0.267
100 H HIS 16 H HIS 16 2.462 3.090 -1.590
101 HA HIS 16 HA HIS 16 3.677 5.547 -2.199
102 HB2 HIS 16 HB2 HIS 16 4.718 2.723 -2.383
103 HB3 HIS 16 HB3 HIS 16 5.695 4.182 -2.665
104 HD2 HIS 16 HD2 HIS 16 6.937 5.160 -0.514
105 HE1 HIS 16 HE1 HIS 16 4.567 3.252 2.430
106 H SER 17 H SER 17 2.732 2.789 -4.392
107 HA SER 17 HA SER 17 2.214 4.198 -6.631
108 HB2 SER 17 HB2 SER 17 4.182 3.938 -8.112
109 HB3 SER 17 HB3 SER 17 4.435 5.162 -6.844
110 HG SER 17 HG SER 17 6.216 3.750 -7.087
111 H MET 18 H MET 18 4.345 1.422 -5.706
112 HA MET 18 HA MET 18 3.420 -0.159 -7.918
113 HB2 MET 18 HB2 MET 18 5.211 -0.967 -5.635
114 HB3 MET 18 HB3 MET 18 4.991 -1.784 -7.201
115 HG2 MET 18 HG2 MET 18 5.878 0.264 -8.325
116 HG3 MET 18 HG3 MET 18 6.225 0.942 -6.716
117 HE1 MET 18 HE1 MET 18 8.702 1.334 -7.490
118 HE2 MET 18 HE2 MET 18 9.751 0.060 -8.155
119 HE3 MET 18 HE3 MET 18 8.333 0.616 -9.075
120 H THR 19 H THR 19 3.294 -2.660 -7.304
121 HA THR 19 HA THR 19 0.558 -2.944 -6.485
122 HB THR 19 HB THR 19 2.676 -4.981 -7.293
123 HG1 THR 19 HG1 THR 19 2.158 -3.404 -8.890
124 HG21 THR 19 1HG2 THR 19 -0.356 -5.193 -7.222
125 HG22 THR 19 2HG2 THR 19 0.770 -6.429 -7.832
126 HG23 THR 19 3HG2 THR 19 0.769 -6.000 -6.104
127 H PHE 20 H PHE 20 -0.018 -4.713 -4.872
128 HA PHE 20 HA PHE 20 0.944 -4.227 -2.313
129 HB2 PHE 20 HB2 PHE 20 -1.336 -5.070 -2.922
130 HB3 PHE 20 HB3 PHE 20 -0.618 -6.566 -3.565
131 HD1 PHE 20 HD2 PHE 20 -1.289 -4.608 -0.487
132 HD2 PHE 20 HD1 PHE 20 0.036 -8.352 -2.131
133 HE1 PHE 20 HE2 PHE 20 -1.443 -5.649 1.758
134 HE2 PHE 20 HE1 PHE 20 -0.118 -9.394 0.114
135 HZ PHE 20 HZ PHE 20 -0.858 -8.042 2.061
136 H GLU 21 H GLU 21 1.586 -6.806 -4.751
137 HA GLU 21 HA GLU 21 3.262 -8.456 -3.221
138 HB2 GLU 21 HB2 GLU 21 2.024 -9.072 -5.325
139 HB3 GLU 21 HB3 GLU 21 3.121 -8.010 -6.238
140 HG2 GLU 21 HG2 GLU 21 5.035 -9.367 -5.617
141 HG3 GLU 21 HG3 GLU 21 4.028 -10.363 -4.539
142 H GLU 22 H GLU 22 3.821 -5.581 -5.278
143 HA GLU 22 HA GLU 22 6.709 -5.727 -5.049
144 HB2 GLU 22 HB2 GLU 22 4.867 -3.819 -6.544
145 HB3 GLU 22 HB3 GLU 22 6.645 -3.823 -6.612
146 HG2 GLU 22 HG2 GLU 22 4.875 -6.154 -7.431
147 HG3 GLU 22 HG3 GLU 22 5.589 -4.970 -8.552
148 H CYS 23 H CYS 23 4.478 -4.833 -2.852
149 HA CYS 23 HA CYS 23 4.948 -2.206 -2.206
150 HB2 CYS 23 HB2 CYS 23 3.165 -3.576 -1.191
151 HB3 CYS 23 HB3 CYS 23 4.402 -4.429 -0.236
152 HG CYS 23 HG CYS 23 3.189 -2.664 1.253
153 HA PRO 24 HA PRO 24 8.609 -3.352 0.610
154 HB2 PRO 24 HB2 PRO 24 10.381 -5.247 -0.197
155 HB3 PRO 24 HB3 PRO 24 9.087 -5.544 0.989
156 HG2 PRO 24 HG2 PRO 24 9.117 -6.143 -2.004
157 HG3 PRO 24 HG3 PRO 24 8.524 -7.174 -0.679
158 HD2 PRO 24 HD2 PRO 24 6.801 -5.680 -2.184
159 HD3 PRO 24 HD3 PRO 24 6.517 -5.962 -0.450
160 H LYS 25 H LYS 25 8.790 -3.692 -2.963
161 HA LYS 25 HA LYS 25 11.251 -2.288 -3.236
162 HB2 LYS 25 HB2 LYS 25 9.084 -2.676 -5.293
163 HB3 LYS 25 HB3 LYS 25 10.730 -2.058 -5.568
164 HG2 LYS 25 HG2 LYS 25 11.622 -4.220 -4.619
165 HG3 LYS 25 HG3 LYS 25 9.950 -4.828 -4.572
166 HD2 LYS 25 HD2 LYS 25 11.011 -5.595 -6.626
167 HD3 LYS 25 HD3 LYS 25 9.776 -4.381 -7.038
168 HE2 LYS 25 HE2 LYS 25 11.839 -4.006 -8.322
169 HE3 LYS 25 HE3 LYS 25 11.540 -2.653 -7.205
170 HZ1 LYS 25 HZ1 LYS 25 13.384 -4.880 -6.740
171 HZ2 LYS 25 HZ2 LYS 25 13.807 -3.349 -7.183
172 HZ3 LYS 25 HZ3 LYS 25 13.111 -3.619 -5.711
173 H CYS 26 H CYS 26 7.944 -1.224 -2.609
174 HA CYS 26 HA CYS 26 8.017 1.317 -3.765
175 HB2 CYS 26 HB2 CYS 26 6.517 0.206 -1.378
176 HB3 CYS 26 HB3 CYS 26 6.279 1.840 -2.043
177 HG CYS 26 HG CYS 26 4.331 0.303 -2.741
178 H SER 27 H SER 27 9.278 -0.011 -0.685
179 HA SER 27 HA SER 27 9.734 2.389 0.695
180 HB2 SER 27 HB2 SER 27 11.239 -0.245 0.844
181 HB3 SER 27 HB3 SER 27 11.309 1.080 2.030
182 HG SER 27 HG SER 27 9.812 -0.554 2.614
183 H ALA 28 H ALA 28 11.645 0.564 -1.760
184 HA ALA 28 HA ALA 28 14.039 2.074 -1.457
185 HB1 ALA 28 HB1 ALA 28 13.016 0.535 -3.869
186 HB2 ALA 28 HB2 ALA 28 14.661 1.175 -3.645
187 HB3 ALA 28 HB3 ALA 28 14.057 -0.118 -2.581
188 H LEU 29 H LEU 29 14.607 3.990 -2.518
189 HA LEU 29 HA LEU 29 12.415 5.464 -3.745
190 HB2 LEU 29 HB2 LEU 29 14.914 6.143 -2.276
191 HB3 LEU 29 HB3 LEU 29 14.420 7.245 -3.582
192 HG LEU 29 HG LEU 29 12.132 7.348 -2.531
193 HD11 LEU 29 1HD1 LEU 29 13.496 5.905 -0.239
194 HD12 LEU 29 2HD1 LEU 29 11.877 6.643 -0.202
195 HD13 LEU 29 3HD1 LEU 29 12.198 5.253 -1.266
196 HD21 LEU 29 3HD2 LEU 29 14.488 8.183 -0.792
197 HD22 LEU 29 1HD2 LEU 29 13.826 9.101 -2.165
198 HD23 LEU 29 2HD2 LEU 29 12.842 8.852 -0.703
199 H GLN 30 H GLN 30 14.305 3.332 -5.158
200 HA GLN 30 HA GLN 30 15.860 4.694 -7.028
201 HB2 GLN 30 HB2 GLN 30 14.410 2.021 -7.227
202 HB3 GLN 30 HB3 GLN 30 15.722 2.572 -8.292
203 HG2 GLN 30 HG2 GLN 30 17.247 2.714 -6.360
204 HG3 GLN 30 HG3 GLN 30 15.943 2.201 -5.274
205 HE21 GLN 30 2HE2 GLN 30 18.136 0.704 -5.109
206 HE22 GLN 30 1HE2 GLN 30 17.944 -0.832 -5.926
207 H TYR 31 H TYR 31 12.430 3.664 -7.090
208 HA TYR 31 HA TYR 31 11.849 4.319 -9.742
209 HB2 TYR 31 HB2 TYR 31 10.520 2.828 -8.247
210 HB3 TYR 31 HB3 TYR 31 10.110 4.212 -7.231
211 HD1 TYR 31 HD1 TYR 31 9.910 3.102 -10.812
212 HD2 TYR 31 HD2 TYR 31 8.073 5.282 -7.594
213 HE1 TYR 31 HE1 TYR 31 7.914 3.495 -12.228
214 HE2 TYR 31 HE2 TYR 31 6.063 5.663 -8.993
215 HH TYR 31 HH TYR 31 5.824 4.434 -12.355
216 H ARG 32 H ARG 32 11.614 6.267 -6.686
217 HA ARG 32 HA ARG 32 10.325 8.489 -7.827
218 HB2 ARG 32 HB2 ARG 32 12.165 8.352 -5.411
219 HB3 ARG 32 HB3 ARG 32 11.190 9.753 -5.899
220 HG2 ARG 32 HG2 ARG 32 9.133 8.295 -5.756
221 HG3 ARG 32 HG3 ARG 32 10.163 7.019 -5.060
222 HD2 ARG 32 HD2 ARG 32 10.874 8.682 -3.290
223 HD3 ARG 32 HD3 ARG 32 9.678 9.813 -3.942
224 HE ARG 32 HE ARG 32 8.256 7.479 -3.478
225 HH11 ARG 32 2HH1 ARG 32 10.262 9.657 -1.529
226 HH12 ARG 32 1HH1 ARG 32 9.406 9.317 -0.041
227 HH21 ARG 32 2HH2 ARG 32 7.147 7.038 -1.516
228 HH22 ARG 32 1HH2 ARG 32 7.638 7.828 -0.034
229 H ASN 33 H ASN 33 13.810 7.713 -7.328
230 HA ASN 33 HA ASN 33 14.716 10.255 -8.243
231 HB2 ASN 33 HB2 ASN 33 16.183 7.651 -7.815
232 HB3 ASN 33 HB3 ASN 33 16.939 9.184 -8.305
233 HD21 ASN 33 1HD2 ASN 33 16.190 7.289 -5.636
234 HD22 ASN 33 2HD2 ASN 33 16.202 8.528 -4.401
235 H GLY 34 H GLY 34 15.878 10.842 -10.040
236 HA2 GLY 34 HA2 GLY 34 16.615 10.597 -12.208
237 HA3 GLY 34 HA3 GLY 34 15.677 9.103 -12.373
238 H PHE 35 H PHE 35 13.770 11.515 -10.829
239 HA PHE 35 HA PHE 35 12.457 12.150 -13.377
240 HB2 PHE 35 HB2 PHE 35 11.289 11.879 -10.636
241 HB3 PHE 35 HB3 PHE 35 10.509 12.787 -11.951
242 HD1 PHE 35 HD1 PHE 35 11.848 9.416 -11.029
243 HD2 PHE 35 HD2 PHE 35 9.525 11.712 -13.826
244 HE1 PHE 35 HE1 PHE 35 11.092 7.324 -12.127
245 HE2 PHE 35 HE2 PHE 35 8.767 9.617 -14.915
246 HZ PHE 35 HZ PHE 35 9.548 7.423 -14.060
247 H TYR 36 H TYR 36 11.792 14.189 -13.828
248 HA TYR 36 HA TYR 36 13.711 16.139 -13.379
249 HB2 TYR 36 HB2 TYR 36 12.337 16.030 -15.393
250 HB3 TYR 36 HB3 TYR 36 10.859 16.232 -14.446
251 HD1 TYR 36 HD1 TYR 36 14.009 17.966 -15.456
252 HD2 TYR 36 HD2 TYR 36 10.017 18.367 -13.909
253 HE1 TYR 36 HE1 TYR 36 14.160 20.427 -15.717
254 HE2 TYR 36 HE2 TYR 36 10.158 20.829 -14.162
255 HH TYR 36 HH TYR 36 13.090 22.442 -15.455
256 H LEU 37 H LEU 37 10.350 16.002 -11.809
257 HA LEU 37 HA LEU 37 11.700 17.751 -9.869
258 HB2 LEU 37 HB2 LEU 37 10.669 19.308 -11.397
259 HB3 LEU 37 HB3 LEU 37 9.111 18.488 -11.223
260 HG LEU 37 HG LEU 37 9.019 19.091 -8.854
261 HD11 LEU 37 1HD1 LEU 37 11.662 20.520 -9.411
262 HD12 LEU 37 2HD1 LEU 37 10.679 20.731 -7.943
263 HD13 LEU 37 3HD1 LEU 37 11.420 19.157 -8.292
264 HD21 LEU 37 3HD2 LEU 37 9.735 21.486 -10.600
265 HD22 LEU 37 1HD2 LEU 37 8.223 20.571 -10.737
266 HD23 LEU 37 2HD2 LEU 37 8.594 21.456 -9.233
267 H LEU 38 H LEU 38 11.462 17.125 -7.948
268 HA LEU 38 HA LEU 38 9.937 14.882 -7.193
269 HB2 LEU 38 HB2 LEU 38 11.380 16.975 -5.552
270 HB3 LEU 38 HB3 LEU 38 10.614 15.522 -4.890
271 HG LEU 38 HG LEU 38 12.858 15.514 -6.950
272 HD11 LEU 38 1HD1 LEU 38 12.846 14.905 -3.959
273 HD12 LEU 38 2HD1 LEU 38 14.239 14.726 -5.052
274 HD13 LEU 38 3HD1 LEU 38 13.569 16.340 -4.725
275 HD21 LEU 38 3HD2 LEU 38 11.520 13.276 -5.359
276 HD22 LEU 38 1HD2 LEU 38 11.438 13.506 -7.123
277 HD23 LEU 38 2HD2 LEU 38 12.979 13.087 -6.355
278 H LYS 39 H LYS 39 9.485 18.383 -6.910
279 HA LYS 39 HA LYS 39 7.353 18.474 -5.130
280 HB2 LYS 39 HB2 LYS 39 8.126 20.356 -7.399
281 HB3 LYS 39 HB3 LYS 39 6.993 20.724 -6.093
282 HG2 LYS 39 HG2 LYS 39 8.797 20.427 -4.424
283 HG3 LYS 39 HG3 LYS 39 9.949 20.080 -5.738
284 HD2 LYS 39 HD2 LYS 39 9.482 22.302 -6.732
285 HD3 LYS 39 HD3 LYS 39 8.326 22.646 -5.427
286 HE2 LYS 39 HE2 LYS 39 10.134 22.447 -3.761
287 HE3 LYS 39 HE3 LYS 39 11.294 22.085 -5.056
288 HZ1 LYS 39 HZ1 LYS 39 10.829 24.231 -5.988
289 HZ2 LYS 39 HZ2 LYS 39 11.355 24.382 -4.432
290 HZ3 LYS 39 HZ3 LYS 39 9.754 24.569 -4.784
291 H TYR 40 H TYR 40 7.365 17.521 -8.588
292 HA TYR 40 HA TYR 40 4.723 18.329 -9.188
293 HB2 TYR 40 HB2 TYR 40 6.292 17.746 -10.964
294 HB3 TYR 40 HB3 TYR 40 6.378 16.080 -10.369
295 HD1 TYR 40 HD1 TYR 40 4.019 18.641 -11.706
296 HD2 TYR 40 HD2 TYR 40 4.804 14.467 -11.069
297 HE1 TYR 40 HE1 TYR 40 2.021 18.068 -13.060
298 HE2 TYR 40 HE2 TYR 40 2.832 13.876 -12.453
299 HH TYR 40 HH TYR 40 0.747 16.388 -13.952
300 H ASP 41 H ASP 41 2.781 17.506 -8.636
301 HA ASP 41 HA ASP 41 2.838 15.309 -6.735
302 HB2 ASP 41 HB2 ASP 41 1.532 17.301 -6.145
303 HB3 ASP 41 HB3 ASP 41 0.518 17.064 -7.584
304 H GLU 42 H GLU 42 2.525 13.373 -7.157
305 HA GLU 42 HA GLU 42 0.642 12.459 -9.134
306 HB2 GLU 42 HB2 GLU 42 2.136 10.924 -10.219
307 HB3 GLU 42 HB3 GLU 42 2.536 12.612 -10.552
308 HG2 GLU 42 HG2 GLU 42 4.364 12.491 -8.859
309 HG3 GLU 42 HG3 GLU 42 4.012 10.757 -8.651
310 H GLU 43 H GLU 43 1.353 9.690 -8.845
311 HA GLU 43 HA GLU 43 0.093 9.172 -6.395
312 HB2 GLU 43 HB2 GLU 43 -0.082 7.731 -8.359
313 HB3 GLU 43 HB3 GLU 43 1.630 7.288 -8.194
314 HG2 GLU 43 HG2 GLU 43 1.211 6.277 -6.018
315 HG3 GLU 43 HG3 GLU 43 -0.456 6.887 -6.012
316 H TRP 44 H TRP 44 3.679 9.036 -7.184
317 HA TRP 44 HA TRP 44 4.202 7.927 -4.588
318 HB2 TRP 44 HB2 TRP 44 6.464 8.298 -4.784
319 HB3 TRP 44 HB3 TRP 44 5.880 7.604 -6.281
320 HD1 TRP 44 HD1 TRP 44 7.084 11.011 -4.915
321 HE1 TRP 44 HE1 TRP 44 8.348 12.215 -6.768
322 HE3 TRP 44 HE3 TRP 44 6.155 7.749 -8.713
323 HZ2 TRP 44 HZ2 TRP 44 8.950 11.768 -9.580
324 HZ3 TRP 44 HZ3 TRP 44 7.082 8.151 -10.968
325 HH2 TRP 44 HH2 TRP 44 8.460 10.153 -11.412
326 H TYR 45 H TYR 45 5.349 8.918 -2.830
327 HA TYR 45 HA TYR 45 4.141 11.398 -2.086
328 HB2 TYR 45 HB2 TYR 45 6.382 9.817 -0.741
329 HB3 TYR 45 HB3 TYR 45 5.543 11.206 -0.046
330 HD1 TYR 45 HD1 TYR 45 5.208 7.647 -1.024
331 HD2 TYR 45 HD2 TYR 45 3.313 11.018 0.856
332 HE1 TYR 45 HE1 TYR 45 3.481 6.142 -0.082
333 HE2 TYR 45 HE2 TYR 45 1.570 9.523 1.792
334 HH TYR 45 HH TYR 45 1.577 5.985 1.189
335 HA PRO 46 HA PRO 46 7.410 13.808 -4.031
336 HB2 PRO 46 HB2 PRO 46 6.748 16.275 -3.006
337 HB3 PRO 46 HB3 PRO 46 5.848 15.473 -4.339
338 HG2 PRO 46 HG2 PRO 46 5.198 15.467 -1.381
339 HG3 PRO 46 HG3 PRO 46 4.091 15.807 -2.755
340 HD2 PRO 46 HD2 PRO 46 4.200 13.362 -1.581
341 HD3 PRO 46 HD3 PRO 46 4.017 13.511 -3.358
342 H GLU 47 H GLU 47 6.853 13.856 -0.485
343 HA GLU 47 HA GLU 47 9.437 14.998 0.023
344 HB2 GLU 47 HB2 GLU 47 7.571 15.250 1.660
345 HB3 GLU 47 HB3 GLU 47 7.573 13.491 1.908
346 HG2 GLU 47 HG2 GLU 47 9.934 13.600 2.655
347 HG3 GLU 47 HG3 GLU 47 9.946 15.349 2.374
348 H GLU 48 H GLU 48 11.324 13.831 0.033
349 HA GLU 48 HA GLU 48 11.108 10.931 -0.278
350 HB2 GLU 48 HB2 GLU 48 13.351 12.847 -0.792
351 HB3 GLU 48 HB3 GLU 48 13.565 11.084 -0.775
352 HG2 GLU 48 HG2 GLU 48 11.834 10.923 -2.574
353 HG3 GLU 48 HG3 GLU 48 11.759 12.699 -2.621
354 H LEU 49 H LEU 49 11.680 9.542 1.197
355 HA LEU 49 HA LEU 49 12.111 10.258 3.865
356 HB2 LEU 49 HB2 LEU 49 12.708 7.616 2.475
357 HB3 LEU 49 HB3 LEU 49 12.452 7.868 4.212
358 HG LEU 49 HG LEU 49 10.385 8.335 2.014
359 HD11 LEU 49 1HD1 LEU 49 10.618 6.172 4.146
360 HD12 LEU 49 2HD1 LEU 49 9.276 6.361 2.992
361 HD13 LEU 49 3HD1 LEU 49 10.904 5.954 2.402
362 HD21 LEU 49 3HD2 LEU 49 10.166 8.495 5.053
363 HD22 LEU 49 1HD2 LEU 49 10.030 9.858 3.915
364 HD23 LEU 49 2HD2 LEU 49 8.798 8.580 3.917
365 H LEU 50 H LEU 50 14.404 9.038 1.346
366 HA LEU 50 HA LEU 50 16.612 8.839 3.096
367 HB2 LEU 50 HB2 LEU 50 16.555 9.152 0.089
368 HB3 LEU 50 HB3 LEU 50 17.965 8.707 1.068
369 HG LEU 50 HG LEU 50 15.369 7.111 0.913
370 HD11 LEU 50 1HD1 LEU 50 18.118 6.600 -0.301
371 HD12 LEU 50 2HD1 LEU 50 16.709 5.517 -0.405
372 HD13 LEU 50 3HD1 LEU 50 16.670 7.108 -1.199
373 HD21 LEU 50 3HD2 LEU 50 18.059 6.507 2.217
374 HD22 LEU 50 1HD2 LEU 50 16.517 6.785 3.063
375 HD23 LEU 50 2HD2 LEU 50 16.721 5.349 2.042
376 H THR 51 H THR 51 15.541 11.527 0.922
377 HA THR 51 HA THR 51 17.893 13.031 1.730
378 HB THR 51 HB THR 51 16.992 14.738 0.220
379 HG1 THR 51 HG1 THR 51 15.294 14.095 -1.131
380 HG21 THR 51 1HG2 THR 51 17.218 11.945 -0.978
381 HG22 THR 51 2HG2 THR 51 17.479 13.481 -1.836
382 HG23 THR 51 3HG2 THR 51 18.595 12.984 -0.542
383 H ASP 52 H ASP 52 17.430 13.088 4.073
384 HA ASP 52 HA ASP 52 15.019 14.638 4.689
385 HB2 ASP 52 HB2 ASP 52 15.398 12.724 6.142
386 HB3 ASP 52 HB3 ASP 52 17.001 13.343 6.576
387 H GLY 53 H GLY 53 15.187 16.676 4.379
388 HA2 GLY 53 HA2 GLY 53 15.735 18.784 4.938
389 HA3 GLY 53 HA3 GLY 53 17.275 18.230 5.610
390 H GLU 54 H GLU 54 17.522 16.637 2.788
391 HA GLU 54 HA GLU 54 19.143 18.656 1.592
392 HB2 GLU 54 HB2 GLU 54 18.287 15.998 0.467
393 HB3 GLU 54 HB3 GLU 54 19.543 17.067 -0.173
394 HG2 GLU 54 HG2 GLU 54 20.812 16.856 1.932
395 HG3 GLU 54 HG3 GLU 54 19.544 15.814 2.604
396 H ASP 55 H ASP 55 15.893 17.281 0.807
397 HA ASP 55 HA ASP 55 15.540 18.692 -1.591
398 HB2 ASP 55 HB2 ASP 55 13.507 17.660 0.424
399 HB3 ASP 55 HB3 ASP 55 13.100 18.347 -1.156
400 H ASP 56 H ASP 56 14.736 19.368 1.828
401 HA ASP 56 HA ASP 56 13.942 21.079 2.979
402 HB2 ASP 56 HB2 ASP 56 16.261 21.786 2.574
403 HB3 ASP 56 HB3 ASP 56 15.717 22.708 1.161
404 H VAL 57 H VAL 57 12.037 20.183 1.187
405 HA VAL 57 HA VAL 57 10.868 22.651 0.107
406 HB VAL 57 HB VAL 57 10.020 19.746 -0.217
407 HG11 VAL 57 1HG1 VAL 57 8.983 22.322 -1.481
408 HG12 VAL 57 2HG1 VAL 57 8.477 20.676 -1.927
409 HG13 VAL 57 3HG1 VAL 57 8.108 21.309 -0.309
410 HG21 VAL 57 3HG2 VAL 57 11.335 21.708 -2.144
411 HG22 VAL 57 1HG2 VAL 57 12.120 20.297 -1.404
412 HG23 VAL 57 2HG2 VAL 57 10.780 20.068 -2.552
413 H PHE 58 H PHE 58 10.331 19.711 2.143
414 HA PHE 58 HA PHE 58 7.842 20.561 3.207
415 HB2 PHE 58 HB2 PHE 58 9.544 18.192 3.685
416 HB3 PHE 58 HB3 PHE 58 8.146 18.610 4.705
417 HD1 PHE 58 HD1 PHE 58 9.188 17.885 1.196
418 HD2 PHE 58 HD2 PHE 58 5.901 18.553 3.887
419 HE1 PHE 58 HE1 PHE 58 7.589 17.250 -0.593
420 HE2 PHE 58 HE2 PHE 58 4.305 17.915 2.100
421 HZ PHE 58 HZ PHE 58 5.149 17.276 -0.143
422 H ASP 59 H ASP 59 11.112 21.093 4.520
423 HA ASP 59 HA ASP 59 10.106 21.800 7.070
424 HB2 ASP 59 HB2 ASP 59 12.637 22.800 5.759
425 HB3 ASP 59 HB3 ASP 59 12.206 22.895 7.479
426 HA PRO 60 HA PRO 60 9.538 26.210 5.660
427 HB2 PRO 60 HB2 PRO 60 9.619 27.089 3.086
428 HB3 PRO 60 HB3 PRO 60 11.098 26.927 4.102
429 HG2 PRO 60 HG2 PRO 60 9.971 24.930 2.111
430 HG3 PRO 60 HG3 PRO 60 11.659 25.525 2.228
431 HD2 PRO 60 HD2 PRO 60 10.903 23.155 3.348
432 HD3 PRO 60 HD3 PRO 60 12.070 24.232 4.170
433 H ASP 61 H ASP 61 8.154 23.582 3.785
434 HA ASP 61 HA ASP 61 6.117 23.076 3.070
435 HB2 ASP 61 HB2 ASP 61 5.734 23.093 5.510
436 HB3 ASP 61 HB3 ASP 61 5.093 24.740 5.359
437 H LEU 62 H LEU 62 7.288 24.963 1.498
438 HA LEU 62 HA LEU 62 5.045 26.741 0.819
439 HB2 LEU 62 HB2 LEU 62 7.166 27.959 1.116
440 HB3 LEU 62 HB3 LEU 62 7.987 26.838 0.016
441 HG LEU 62 HG LEU 62 6.465 27.561 -1.828
442 HD11 LEU 62 1HD1 LEU 62 5.520 29.596 0.238
443 HD12 LEU 62 2HD1 LEU 62 5.136 29.638 -1.499
444 HD13 LEU 62 3HD1 LEU 62 4.534 28.306 -0.494
445 HD21 LEU 62 3HD2 LEU 62 7.962 29.806 -0.418
446 HD22 LEU 62 1HD2 LEU 62 8.677 28.601 -1.515
447 HD23 LEU 62 2HD2 LEU 62 7.499 29.778 -2.136
448 H ASP 63 H ASP 63 3.830 25.937 -0.897
449 HA ASP 63 HA ASP 63 5.198 24.033 -2.686
450 HB2 ASP 63 HB2 ASP 63 3.401 22.860 -1.535
451 HB3 ASP 63 HB3 ASP 63 2.263 24.173 -1.884
452 H MET 64 H MET 64 5.392 24.907 -4.751
453 HA MET 64 HA MET 64 3.739 27.273 -5.350
454 HB2 MET 64 HB2 MET 64 6.527 26.594 -6.336
455 HB3 MET 64 HB3 MET 64 5.514 27.910 -6.970
456 HG2 MET 64 HG2 MET 64 5.459 28.995 -4.810
457 HG3 MET 64 HG3 MET 64 6.277 27.631 -4.040
458 HE1 MET 64 HE1 MET 64 8.603 26.769 -5.715
459 HE2 MET 64 HE2 MET 64 9.916 27.839 -5.169
460 HE3 MET 64 HE3 MET 64 8.753 27.184 -3.992
461 H GLU 65 H GLU 65 2.230 26.770 -6.752
462 HA GLU 65 HA GLU 65 1.969 24.344 -8.100
463 HB2 GLU 65 HB2 GLU 65 0.616 27.012 -8.634
464 HB3 GLU 65 HB3 GLU 65 0.132 25.439 -9.311
465 HG2 GLU 65 HG2 GLU 65 -0.181 24.559 -7.006
466 HG3 GLU 65 HG3 GLU 65 0.226 26.159 -6.352
467 H VAL 66 H VAL 66 3.097 27.545 -9.240
468 HA VAL 66 HA VAL 66 3.163 26.964 -11.977
469 HB VAL 66 HB VAL 66 4.834 28.911 -10.365
470 HG11 VAL 66 1HG1 VAL 66 4.179 28.747 -13.339
471 HG12 VAL 66 2HG1 VAL 66 5.027 30.094 -12.543
472 HG13 VAL 66 3HG1 VAL 66 5.778 28.486 -12.601
473 HG21 VAL 66 3HG2 VAL 66 2.187 29.225 -11.847
474 HG22 VAL 66 1HG2 VAL 66 2.407 29.265 -10.081
475 HG23 VAL 66 2HG2 VAL 66 3.112 30.544 -11.094
476 H VAL 67 H VAL 67 5.664 26.569 -9.379
477 HA VAL 67 HA VAL 67 7.766 25.846 -11.113
478 HB VAL 67 HB VAL 67 7.304 25.190 -8.201
479 HG11 VAL 67 1HG1 VAL 67 9.810 25.027 -9.927
480 HG12 VAL 67 2HG1 VAL 67 9.754 24.816 -8.160
481 HG13 VAL 67 3HG1 VAL 67 8.933 23.651 -9.218
482 HG21 VAL 67 3HG2 VAL 67 8.884 27.382 -9.613
483 HG22 VAL 67 1HG2 VAL 67 7.394 27.606 -8.667
484 HG23 VAL 67 2HG2 VAL 67 8.887 27.079 -7.862
485 H PHE 68 H PHE 68 5.345 23.753 -9.283
486 HA PHE 68 HA PHE 68 6.525 21.411 -10.463
487 HB2 PHE 68 HB2 PHE 68 5.196 20.061 -9.444
488 HB3 PHE 68 HB3 PHE 68 5.523 21.304 -8.261
489 HD1 PHE 68 HD1 PHE 68 2.942 19.762 -10.404
490 HD2 PHE 68 HD2 PHE 68 3.751 22.593 -7.274
491 HE1 PHE 68 HE1 PHE 68 0.535 19.806 -9.826
492 HE2 PHE 68 HE2 PHE 68 1.343 22.637 -6.694
493 HZ PHE 68 HZ PHE 68 -0.269 21.246 -7.970
494 H GLU 69 H GLU 69 3.746 23.366 -11.494
495 HA GLU 69 HA GLU 69 3.111 21.408 -13.500
496 HB2 GLU 69 HB2 GLU 69 2.084 24.225 -13.094
497 HB3 GLU 69 HB3 GLU 69 1.436 23.032 -14.240
498 HG2 GLU 69 HG2 GLU 69 0.814 21.545 -12.405
499 HG3 GLU 69 HG3 GLU 69 1.574 22.624 -11.224
500 H THR 70 H THR 70 5.225 21.267 -14.384
501 HA THR 70 HA THR 70 6.481 23.308 -15.863
502 HB THR 70 HB THR 70 6.582 20.285 -16.114
503 HG1 THR 70 HG1 THR 70 7.062 21.078 -14.023
504 HG21 THR 70 1HG2 THR 70 8.549 22.474 -16.917
505 HG22 THR 70 2HG2 THR 70 8.847 20.724 -17.024
506 HG23 THR 70 3HG2 THR 70 7.591 21.473 -18.034
507 H GLN 71 H GLN 71 4.056 20.746 -16.537
508 HA GLN 71 HA GLN 71 3.884 21.302 -19.352
509 HB2 GLN 71 HB2 GLN 71 1.892 19.816 -19.266
510 HB3 GLN 71 HB3 GLN 71 3.397 19.051 -18.756
511 HG2 GLN 71 HG2 GLN 71 1.342 20.160 -16.802
512 HG3 GLN 71 HG3 GLN 71 1.354 18.490 -17.378
513 HE21 GLN 71 1HE2 GLN 71 3.889 17.643 -17.366
514 HE22 GLN 71 2HE2 GLN 71 4.599 17.763 -15.771
Start of MODEL 10
1 H1 GLY 1 H1 GLY 1 -13.086 -10.524 -15.234
2 H2 GLY 1 H2 GLY 1 -12.909 -9.462 -13.923
3 H3 GLY 1 H3 GLY 1 -11.761 -9.475 -15.172
4 HA2 GLY 1 HA3 GLY 1 -11.144 -10.625 -13.019
5 HA3 GLY 1 HA2 GLY 1 -12.290 -11.877 -13.556
6 H SER 2 H SER 2 -9.260 -11.690 -13.198
7 HA SER 2 HA SER 2 -8.557 -12.747 -15.849
8 HB2 SER 2 HB2 SER 2 -6.291 -11.877 -15.589
9 HB3 SER 2 HB3 SER 2 -7.467 -10.542 -15.598
10 HG SER 2 HG SER 2 -5.919 -10.356 -13.913
11 H THR 3 H THR 3 -6.996 -14.464 -15.782
12 HA THR 3 HA THR 3 -7.207 -16.019 -13.347
13 HB THR 3 HB THR 3 -5.841 -16.686 -15.945
14 HG1 THR 3 HG1 THR 3 -7.752 -17.930 -16.203
15 HG21 THR 3 1HG2 THR 3 -6.661 -18.371 -13.542
16 HG22 THR 3 2HG2 THR 3 -5.955 -18.987 -15.056
17 HG23 THR 3 3HG2 THR 3 -4.993 -17.938 -13.988
18 H ALA 4 H ALA 4 -6.112 -14.580 -11.994
19 HA ALA 4 HA ALA 4 -3.216 -14.350 -12.415
20 HB1 ALA 4 HB1 ALA 4 -5.047 -12.739 -10.578
21 HB2 ALA 4 HB2 ALA 4 -3.285 -12.547 -10.737
22 HB3 ALA 4 HB3 ALA 4 -4.350 -12.154 -12.107
23 H MET 5 H MET 5 -1.956 -15.229 -10.697
24 HA MET 5 HA MET 5 -3.115 -17.321 -9.210
25 HB2 MET 5 HB2 MET 5 -0.999 -17.669 -8.226
26 HB3 MET 5 HB3 MET 5 -0.678 -17.168 -9.903
27 HG2 MET 5 HG2 MET 5 -0.534 -15.364 -7.460
28 HG3 MET 5 HG3 MET 5 0.854 -16.077 -8.315
29 HE1 MET 5 HE1 MET 5 1.978 -13.750 -8.343
30 HE2 MET 5 HE2 MET 5 1.205 -12.279 -8.981
31 HE3 MET 5 HE3 MET 5 0.570 -13.052 -7.509
32 H ALA 6 H ALA 6 -4.022 -17.475 -7.388
33 HA ALA 6 HA ALA 6 -5.118 -17.006 -5.526
34 HB1 ALA 6 HB1 ALA 6 -2.713 -15.270 -4.924
35 HB2 ALA 6 HB2 ALA 6 -3.950 -15.798 -3.759
36 HB3 ALA 6 HB3 ALA 6 -2.898 -16.999 -4.544
37 H THR 7 H THR 7 -5.704 -15.334 -7.924
38 HA THR 7 HA THR 7 -6.874 -13.588 -8.582
39 HB THR 7 HB THR 7 -8.836 -13.033 -7.392
40 HG1 THR 7 HG1 THR 7 -7.943 -13.093 -5.285
41 HG21 THR 7 1HG2 THR 7 -8.158 -16.001 -7.293
42 HG22 THR 7 2HG2 THR 7 -9.797 -15.305 -7.303
43 HG23 THR 7 3HG2 THR 7 -8.740 -15.112 -8.721
44 H THR 8 H THR 8 -4.353 -12.798 -7.818
45 HA THR 8 HA THR 8 -4.470 -10.523 -6.096
46 HB THR 8 HB THR 8 -2.402 -11.343 -8.139
47 HG1 THR 8 HG1 THR 8 -2.785 -12.842 -6.435
48 HG21 THR 8 1HG2 THR 8 -2.275 -9.410 -5.793
49 HG22 THR 8 2HG2 THR 8 -0.909 -9.889 -6.829
50 HG23 THR 8 3HG2 THR 8 -2.264 -8.961 -7.515
51 H MET 9 H MET 9 -4.719 -8.349 -6.641
52 HA MET 9 HA MET 9 -6.117 -7.858 -9.112
53 HB2 MET 9 HB2 MET 9 -6.630 -6.726 -6.854
54 HB3 MET 9 HB3 MET 9 -5.194 -5.727 -7.184
55 HG2 MET 9 HG2 MET 9 -7.164 -4.581 -8.067
56 HG3 MET 9 HG3 MET 9 -6.177 -5.157 -9.431
57 HE1 MET 9 HE1 MET 9 -8.064 -4.867 -11.163
58 HE2 MET 9 HE2 MET 9 -9.730 -5.450 -10.937
59 HE3 MET 9 HE3 MET 9 -9.085 -4.169 -9.883
60 H GLU 10 H GLU 10 -5.249 -7.043 -10.912
61 HA GLU 10 HA GLU 10 -2.470 -7.104 -11.353
62 HB2 GLU 10 HB2 GLU 10 -4.656 -5.953 -13.094
63 HB3 GLU 10 HB3 GLU 10 -2.992 -6.349 -13.582
64 HG2 GLU 10 HG2 GLU 10 -3.401 -8.727 -12.975
65 HG3 GLU 10 HG3 GLU 10 -5.080 -8.313 -12.553
66 H GLN 11 H GLN 11 -4.594 -4.181 -10.873
67 HA GLN 11 HA GLN 11 -2.405 -2.527 -11.749
68 HB2 GLN 11 HB2 GLN 11 -3.520 -0.583 -10.889
69 HB3 GLN 11 HB3 GLN 11 -4.554 -1.525 -11.990
70 HG2 GLN 11 HG2 GLN 11 -4.786 -2.178 -9.096
71 HG3 GLN 11 HG3 GLN 11 -5.392 -0.582 -9.598
72 HE21 GLN 11 1HE2 GLN 11 -7.563 -0.845 -9.498
73 HE22 GLN 11 2HE2 GLN 11 -8.452 -2.050 -10.401
74 H GLU 12 H GLU 12 -1.305 -0.949 -10.638
75 HA GLU 12 HA GLU 12 -0.116 -1.989 -8.238
76 HB2 GLU 12 HB2 GLU 12 0.512 0.556 -9.767
77 HB3 GLU 12 HB3 GLU 12 1.515 -0.242 -8.531
78 HG2 GLU 12 HG2 GLU 12 1.639 -2.242 -10.064
79 HG3 GLU 12 HG3 GLU 12 0.856 -1.243 -11.312
80 H ILE 13 H ILE 13 -1.776 -1.922 -6.776
81 HA ILE 13 HA ILE 13 -3.069 0.575 -6.079
82 HB ILE 13 HB ILE 13 -4.337 -0.693 -4.494
83 HG12 ILE 13 2HG1 ILE 13 -4.291 -3.211 -4.689
84 HG13 ILE 13 3HG1 ILE 13 -2.693 -3.049 -5.455
85 HG21 ILE 13 1HG2 ILE 13 -4.152 -1.914 -7.286
86 HG22 ILE 13 2HG2 ILE 13 -5.558 -2.020 -6.202
87 HG23 ILE 13 3HG2 ILE 13 -5.056 -0.443 -6.857
88 HD11 ILE 13 3HD1 ILE 13 -1.840 -1.925 -3.440
89 HD12 ILE 13 1HD1 ILE 13 -3.438 -2.087 -2.673
90 HD13 ILE 13 2HD1 ILE 13 -2.488 -3.540 -3.067
91 H CYS 14 H CYS 14 -0.077 -0.657 -4.909
92 HA CYS 14 HA CYS 14 -0.457 0.045 -2.189
93 HB2 CYS 14 HB2 CYS 14 1.466 -1.333 -2.908
94 HB3 CYS 14 HB3 CYS 14 2.186 0.129 -3.623
95 H ALA 15 H ALA 15 0.140 1.851 -1.056
96 HA ALA 15 HA ALA 15 -0.778 4.276 -2.099
97 HB1 ALA 15 HB1 ALA 15 0.913 3.734 0.371
98 HB2 ALA 15 HB2 ALA 15 0.025 5.235 0.017
99 HB3 ALA 15 HB3 ALA 15 -0.865 3.721 0.300
100 H HIS 16 H HIS 16 2.587 3.089 -1.529
101 HA HIS 16 HA HIS 16 3.838 5.532 -2.121
102 HB2 HIS 16 HB2 HIS 16 4.846 2.696 -2.302
103 HB3 HIS 16 HB3 HIS 16 5.844 4.144 -2.572
104 HD2 HIS 16 HD2 HIS 16 7.079 5.101 -0.407
105 HE1 HIS 16 HE1 HIS 16 4.658 3.216 2.511
106 H SER 17 H SER 17 2.879 2.792 -4.328
107 HA SER 17 HA SER 17 2.398 4.212 -6.569
108 HB2 SER 17 HB2 SER 17 4.376 3.931 -8.033
109 HB3 SER 17 HB3 SER 17 4.633 5.149 -6.760
110 HG SER 17 HG SER 17 6.399 3.715 -6.990
111 H MET 18 H MET 18 4.487 1.408 -5.631
112 HA MET 18 HA MET 18 3.562 -0.156 -7.856
113 HB2 MET 18 HB2 MET 18 5.322 -0.992 -5.559
114 HB3 MET 18 HB3 MET 18 5.106 -1.803 -7.129
115 HG2 MET 18 HG2 MET 18 6.028 0.237 -8.239
116 HG3 MET 18 HG3 MET 18 6.370 0.906 -6.626
117 HE1 MET 18 HE1 MET 18 8.858 1.270 -7.378
118 HE2 MET 18 HE2 MET 18 9.897 -0.016 -8.036
119 HE3 MET 18 HE3 MET 18 8.494 0.560 -8.967
120 H THR 19 H THR 19 3.399 -2.657 -7.250
121 HA THR 19 HA THR 19 0.653 -2.909 -6.455
122 HB THR 19 HB THR 19 2.753 -4.970 -7.249
123 HG1 THR 19 HG1 THR 19 2.268 -3.383 -8.847
124 HG21 THR 19 1HG2 THR 19 -0.282 -5.145 -7.206
125 HG22 THR 19 2HG2 THR 19 0.834 -6.393 -7.809
126 HG23 THR 19 3HG2 THR 19 0.823 -5.969 -6.080
127 H PHE 20 H PHE 20 0.041 -4.674 -4.852
128 HA PHE 20 HA PHE 20 0.985 -4.206 -2.283
129 HB2 PHE 20 HB2 PHE 20 -1.300 -5.019 -2.914
130 HB3 PHE 20 HB3 PHE 20 -0.594 -6.523 -3.555
131 HD1 PHE 20 HD2 PHE 20 -1.268 -4.564 -0.478
132 HD2 PHE 20 HD1 PHE 20 0.025 -8.321 -2.119
133 HE1 PHE 20 HE2 PHE 20 -1.455 -5.609 1.763
134 HE2 PHE 20 HE1 PHE 20 -0.162 -9.366 0.121
135 HZ PHE 20 HZ PHE 20 -0.902 -8.009 2.065
136 H GLU 21 H GLU 21 1.617 -6.787 -4.722
137 HA GLU 21 HA GLU 21 3.259 -8.462 -3.181
138 HB2 GLU 21 HB2 GLU 21 2.032 -9.057 -5.297
139 HB3 GLU 21 HB3 GLU 21 3.151 -8.007 -6.198
140 HG2 GLU 21 HG2 GLU 21 5.042 -9.389 -5.564
141 HG3 GLU 21 HG3 GLU 21 4.013 -10.375 -4.497
142 H GLU 22 H GLU 22 3.872 -5.589 -5.226
143 HA GLU 22 HA GLU 22 6.755 -5.772 -4.972
144 HB2 GLU 22 HB2 GLU 22 4.951 -3.837 -6.478
145 HB3 GLU 22 HB3 GLU 22 6.729 -3.863 -6.530
146 HG2 GLU 22 HG2 GLU 22 4.938 -6.170 -7.371
147 HG3 GLU 22 HG3 GLU 22 5.677 -4.993 -8.482
148 H CYS 23 H CYS 23 4.517 -4.855 -2.792
149 HA CYS 23 HA CYS 23 5.014 -2.236 -2.135
150 HB2 CYS 23 HB2 CYS 23 3.204 -3.586 -1.140
151 HB3 CYS 23 HB3 CYS 23 4.422 -4.457 -0.176
152 HG CYS 23 HG CYS 23 3.218 -2.680 1.306
153 HA PRO 24 HA PRO 24 8.635 -3.433 0.710
154 HB2 PRO 24 HB2 PRO 24 10.390 -5.348 -0.086
155 HB3 PRO 24 HB3 PRO 24 9.082 -5.632 1.087
156 HG2 PRO 24 HG2 PRO 24 9.132 -6.225 -1.906
157 HG3 PRO 24 HG3 PRO 24 8.514 -7.252 -0.589
158 HD2 PRO 24 HD2 PRO 24 6.823 -5.732 -2.105
159 HD3 PRO 24 HD3 PRO 24 6.520 -6.015 -0.375
160 H LYS 25 H LYS 25 8.844 -3.768 -2.862
161 HA LYS 25 HA LYS 25 11.324 -2.393 -3.110
162 HB2 LYS 25 HB2 LYS 25 9.171 -2.750 -5.187
163 HB3 LYS 25 HB3 LYS 25 10.827 -2.151 -5.446
164 HG2 LYS 25 HG2 LYS 25 11.683 -4.327 -4.494
165 HG3 LYS 25 HG3 LYS 25 10.003 -4.914 -4.464
166 HD2 LYS 25 HD2 LYS 25 11.074 -5.689 -6.510
167 HD3 LYS 25 HD3 LYS 25 9.857 -4.459 -6.930
168 HE2 LYS 25 HE2 LYS 25 11.936 -4.106 -8.195
169 HE3 LYS 25 HE3 LYS 25 11.643 -2.753 -7.077
170 HZ1 LYS 25 HZ1 LYS 25 13.456 -5.004 -6.601
171 HZ2 LYS 25 HZ2 LYS 25 13.901 -3.476 -7.036
172 HZ3 LYS 25 HZ3 LYS 25 13.189 -3.742 -5.572
173 H CYS 26 H CYS 26 8.025 -1.290 -2.509
174 HA CYS 26 HA CYS 26 8.140 1.252 -3.658
175 HB2 CYS 26 HB2 CYS 26 6.604 0.155 -1.288
176 HB3 CYS 26 HB3 CYS 26 6.393 1.793 -1.951
177 HG CYS 26 HG CYS 26 4.432 0.282 -2.669
178 H SER 27 H SER 27 9.357 -0.098 -0.571
179 HA SER 27 HA SER 27 9.829 2.292 0.820
180 HB2 SER 27 HB2 SER 27 11.301 -0.360 0.975
181 HB3 SER 27 HB3 SER 27 11.377 0.961 2.165
182 HG SER 27 HG SER 27 9.855 -0.656 2.731
183 H ALA 28 H ALA 28 11.740 0.450 -1.623
184 HA ALA 28 HA ALA 28 14.149 1.929 -1.295
185 HB1 ALA 28 HB1 ALA 28 13.129 0.408 -3.720
186 HB2 ALA 28 HB2 ALA 28 14.780 1.027 -3.480
187 HB3 ALA 28 HB3 ALA 28 14.150 -0.260 -2.425
188 H LEU 29 H LEU 29 14.751 3.841 -2.346
189 HA LEU 29 HA LEU 29 12.588 5.345 -3.588
190 HB2 LEU 29 HB2 LEU 29 15.083 5.989 -2.096
191 HB3 LEU 29 HB3 LEU 29 14.613 7.100 -3.404
192 HG LEU 29 HG LEU 29 12.318 7.229 -2.373
193 HD11 LEU 29 1HD1 LEU 29 13.643 5.763 -0.073
194 HD12 LEU 29 2HD1 LEU 29 12.033 6.522 -0.048
195 HD13 LEU 29 3HD1 LEU 29 12.346 5.130 -1.112
196 HD21 LEU 29 3HD2 LEU 29 14.668 8.030 -0.611
197 HD22 LEU 29 1HD2 LEU 29 14.030 8.960 -1.988
198 HD23 LEU 29 2HD2 LEU 29 13.030 8.720 -0.535
199 H GLN 30 H GLN 30 14.380 3.182 -5.023
200 HA GLN 30 HA GLN 30 15.979 4.439 -6.911
201 HB2 GLN 30 HB2 GLN 30 14.260 1.923 -7.161
202 HB3 GLN 30 HB3 GLN 30 15.560 2.392 -8.278
203 HG2 GLN 30 HG2 GLN 30 17.199 2.282 -6.440
204 HG3 GLN 30 HG3 GLN 30 15.909 1.846 -5.302
205 HE21 GLN 30 2HE2 GLN 30 18.275 0.637 -7.424
206 HE22 GLN 30 1HE2 GLN 30 17.714 -1.017 -7.527
207 H TYR 31 H TYR 31 12.477 3.624 -6.925
208 HA TYR 31 HA TYR 31 11.855 4.352 -9.554
209 HB2 TYR 31 HB2 TYR 31 10.377 2.927 -8.220
210 HB3 TYR 31 HB3 TYR 31 10.196 4.188 -6.995
211 HD1 TYR 31 HD1 TYR 31 9.444 3.365 -10.560
212 HD2 TYR 31 HD2 TYR 31 8.531 5.847 -7.169
213 HE1 TYR 31 HE1 TYR 31 7.460 4.256 -11.753
214 HE2 TYR 31 HE2 TYR 31 6.544 6.742 -8.348
215 HH TYR 31 HH TYR 31 5.658 5.676 -11.660
216 H ARG 32 H ARG 32 11.890 6.206 -6.482
217 HA ARG 32 HA ARG 32 10.552 8.493 -7.355
218 HB2 ARG 32 HB2 ARG 32 12.668 8.191 -5.177
219 HB3 ARG 32 HB3 ARG 32 11.596 9.584 -5.432
220 HG2 ARG 32 HG2 ARG 32 9.669 7.818 -5.344
221 HG3 ARG 32 HG3 ARG 32 10.870 6.788 -4.549
222 HD2 ARG 32 HD2 ARG 32 11.199 8.605 -2.827
223 HD3 ARG 32 HD3 ARG 32 9.981 9.564 -3.635
224 HE ARG 32 HE ARG 32 8.723 7.143 -3.191
225 HH11 ARG 32 2HH1 ARG 32 10.319 9.576 -1.173
226 HH12 ARG 32 1HH1 ARG 32 9.278 9.298 0.205
227 HH21 ARG 32 2HH2 ARG 32 7.360 6.792 -1.387
228 HH22 ARG 32 1HH2 ARG 32 7.592 7.714 0.083
229 H ASN 33 H ASN 33 14.035 7.612 -7.333
230 HA ASN 33 HA ASN 33 14.928 10.118 -8.316
231 HB2 ASN 33 HB2 ASN 33 16.240 7.377 -8.448
232 HB3 ASN 33 HB3 ASN 33 17.025 8.923 -8.835
233 HD21 ASN 33 1HD2 ASN 33 16.710 6.652 -6.436
234 HD22 ASN 33 2HD2 ASN 33 16.995 7.655 -5.031
235 H GLY 34 H GLY 34 15.696 10.625 -10.455
236 HA2 GLY 34 HA2 GLY 34 15.939 10.228 -12.718
237 HA3 GLY 34 HA3 GLY 34 14.825 8.859 -12.610
238 H PHE 35 H PHE 35 13.160 11.096 -10.813
239 HA PHE 35 HA PHE 35 11.583 11.938 -13.108
240 HB2 PHE 35 HB2 PHE 35 11.107 12.208 -10.152
241 HB3 PHE 35 HB3 PHE 35 10.198 13.130 -11.354
242 HD1 PHE 35 HD2 PHE 35 8.839 11.952 -13.096
243 HD2 PHE 35 HD1 PHE 35 10.542 9.891 -9.739
244 HE1 PHE 35 HE2 PHE 35 7.261 10.069 -13.437
245 HE2 PHE 35 HE1 PHE 35 8.988 8.008 -10.085
246 HZ PHE 35 HZ PHE 35 7.336 8.094 -11.936
247 H TYR 36 H TYR 36 11.323 14.087 -13.757
248 HA TYR 36 HA TYR 36 13.522 15.798 -13.450
249 HB2 TYR 36 HB2 TYR 36 12.168 15.828 -15.462
250 HB3 TYR 36 HB3 TYR 36 10.720 16.250 -14.539
251 HD1 TYR 36 HD1 TYR 36 14.126 17.510 -15.444
252 HD2 TYR 36 HD2 TYR 36 10.153 18.490 -14.124
253 HE1 TYR 36 HE1 TYR 36 14.636 19.922 -15.717
254 HE2 TYR 36 HE2 TYR 36 10.648 20.902 -14.396
255 HH TYR 36 HH TYR 36 13.847 22.069 -15.535
256 H LEU 37 H LEU 37 10.196 16.084 -11.863
257 HA LEU 37 HA LEU 37 11.675 17.802 -9.985
258 HB2 LEU 37 HB2 LEU 37 10.594 19.346 -11.497
259 HB3 LEU 37 HB3 LEU 37 9.039 18.539 -11.247
260 HG LEU 37 HG LEU 37 9.069 19.168 -8.869
261 HD11 LEU 37 1HD1 LEU 37 11.644 20.640 -9.598
262 HD12 LEU 37 2HD1 LEU 37 10.750 20.828 -8.071
263 HD13 LEU 37 3HD1 LEU 37 11.508 19.274 -8.466
264 HD21 LEU 37 3HD2 LEU 37 9.637 21.528 -10.708
265 HD22 LEU 37 1HD2 LEU 37 8.129 20.597 -10.706
266 HD23 LEU 37 2HD2 LEU 37 8.604 21.522 -9.257
267 H LEU 38 H LEU 38 11.419 17.318 -8.017
268 HA LEU 38 HA LEU 38 10.070 15.060 -7.104
269 HB2 LEU 38 HB2 LEU 38 11.145 17.481 -5.600
270 HB3 LEU 38 HB3 LEU 38 10.640 15.957 -4.855
271 HG LEU 38 HG LEU 38 12.921 16.271 -6.851
272 HD11 LEU 38 1HD1 LEU 38 12.897 15.756 -3.844
273 HD12 LEU 38 2HD1 LEU 38 14.342 15.802 -4.880
274 HD13 LEU 38 3HD1 LEU 38 13.378 17.275 -4.634
275 HD21 LEU 38 3HD2 LEU 38 11.936 13.875 -5.236
276 HD22 LEU 38 1HD2 LEU 38 11.902 14.042 -7.010
277 HD23 LEU 38 2HD2 LEU 38 13.454 13.926 -6.161
278 H LYS 39 H LYS 39 9.325 18.544 -7.019
279 HA LYS 39 HA LYS 39 7.120 18.499 -5.302
280 HB2 LYS 39 HB2 LYS 39 7.842 20.484 -7.480
281 HB3 LYS 39 HB3 LYS 39 6.591 20.704 -6.244
282 HG2 LYS 39 HG2 LYS 39 8.309 20.494 -4.466
283 HG3 LYS 39 HG3 LYS 39 9.569 20.339 -5.716
284 HD2 LYS 39 HD2 LYS 39 8.955 22.555 -6.623
285 HD3 LYS 39 HD3 LYS 39 7.663 22.704 -5.409
286 HE2 LYS 39 HE2 LYS 39 9.348 22.574 -3.601
287 HE3 LYS 39 HE3 LYS 39 10.638 22.436 -4.814
288 HZ1 LYS 39 HZ1 LYS 39 10.386 24.672 -4.036
289 HZ2 LYS 39 HZ2 LYS 39 8.807 24.712 -4.512
290 HZ3 LYS 39 HZ3 LYS 39 10.005 24.584 -5.638
291 H TYR 40 H TYR 40 7.282 17.498 -8.716
292 HA TYR 40 HA TYR 40 4.677 18.206 -9.489
293 HB2 TYR 40 HB2 TYR 40 6.393 17.476 -11.093
294 HB3 TYR 40 HB3 TYR 40 6.371 15.852 -10.389
295 HD1 TYR 40 HD1 TYR 40 4.290 18.382 -12.169
296 HD2 TYR 40 HD2 TYR 40 4.718 14.265 -11.008
297 HE1 TYR 40 HE1 TYR 40 2.406 17.774 -13.662
298 HE2 TYR 40 HE2 TYR 40 2.835 13.640 -12.499
299 HH TYR 40 HH TYR 40 1.091 16.083 -14.473
300 H ASP 41 H ASP 41 2.709 17.353 -9.055
301 HA ASP 41 HA ASP 41 2.643 15.354 -6.937
302 HB2 ASP 41 HB2 ASP 41 1.409 17.467 -6.614
303 HB3 ASP 41 HB3 ASP 41 0.477 17.156 -8.090
304 H GLU 42 H GLU 42 2.233 13.402 -7.171
305 HA GLU 42 HA GLU 42 0.342 12.351 -9.048
306 HB2 GLU 42 HB2 GLU 42 1.689 10.758 -10.147
307 HB3 GLU 42 HB3 GLU 42 2.274 12.386 -10.515
308 HG2 GLU 42 HG2 GLU 42 4.059 12.065 -8.770
309 HG3 GLU 42 HG3 GLU 42 3.483 10.382 -8.612
310 H GLU 43 H GLU 43 0.931 9.614 -8.605
311 HA GLU 43 HA GLU 43 -0.116 9.179 -6.045
312 HB2 GLU 43 HB2 GLU 43 1.353 7.229 -7.838
313 HB3 GLU 43 HB3 GLU 43 0.351 6.824 -6.429
314 HG2 GLU 43 HG2 GLU 43 -1.601 7.909 -7.543
315 HG3 GLU 43 HG3 GLU 43 -0.595 8.199 -8.977
316 H TRP 44 H TRP 44 3.197 9.093 -7.291
317 HA TRP 44 HA TRP 44 4.664 8.041 -5.222
318 HB2 TRP 44 HB2 TRP 44 5.552 8.592 -7.460
319 HB3 TRP 44 HB3 TRP 44 4.937 10.231 -7.337
320 HD1 TRP 44 HD1 TRP 44 7.375 8.809 -4.723
321 HE1 TRP 44 HE1 TRP 44 9.511 10.202 -4.843
322 HE3 TRP 44 HE3 TRP 44 6.232 11.708 -8.772
323 HZ2 TRP 44 HZ2 TRP 44 10.622 12.280 -6.524
324 HZ3 TRP 44 HZ3 TRP 44 7.850 13.362 -9.628
325 HH2 TRP 44 HH2 TRP 44 10.051 13.645 -8.536
326 H TYR 45 H TYR 45 5.554 8.992 -3.266
327 HA TYR 45 HA TYR 45 4.235 11.405 -2.352
328 HB2 TYR 45 HB2 TYR 45 6.336 9.659 -1.021
329 HB3 TYR 45 HB3 TYR 45 5.628 11.115 -0.305
330 HD1 TYR 45 HD2 TYR 45 3.186 11.221 0.174
331 HD2 TYR 45 HD1 TYR 45 5.121 7.576 -1.036
332 HE1 TYR 45 HE2 TYR 45 1.246 9.924 1.009
333 HE2 TYR 45 HE1 TYR 45 3.186 6.267 -0.200
334 HH TYR 45 HH TYR 45 1.128 6.343 0.806
335 HA PRO 46 HA PRO 46 7.474 13.908 -4.152
336 HB2 PRO 46 HB2 PRO 46 6.212 15.938 -2.317
337 HB3 PRO 46 HB3 PRO 46 6.647 16.121 -4.048
338 HG2 PRO 46 HG2 PRO 46 4.069 15.728 -3.348
339 HG3 PRO 46 HG3 PRO 46 4.765 14.798 -4.722
340 HD2 PRO 46 HD2 PRO 46 4.384 13.897 -1.852
341 HD3 PRO 46 HD3 PRO 46 3.979 13.039 -3.372
342 H GLU 47 H GLU 47 6.880 13.853 -0.611
343 HA GLU 47 HA GLU 47 9.428 14.968 0.033
344 HB2 GLU 47 HB2 GLU 47 7.468 15.035 1.619
345 HB3 GLU 47 HB3 GLU 47 7.539 13.269 1.737
346 HG2 GLU 47 HG2 GLU 47 9.867 13.422 2.588
347 HG3 GLU 47 HG3 GLU 47 9.797 15.188 2.454
348 H GLU 48 H GLU 48 11.357 13.785 0.106
349 HA GLU 48 HA GLU 48 11.120 10.889 -0.296
350 HB2 GLU 48 HB2 GLU 48 13.370 12.787 -0.840
351 HB3 GLU 48 HB3 GLU 48 13.556 11.017 -0.844
352 HG2 GLU 48 HG2 GLU 48 11.801 10.880 -2.597
353 HG3 GLU 48 HG3 GLU 48 11.670 12.652 -2.593
354 H LEU 49 H LEU 49 11.627 9.528 1.182
355 HA LEU 49 HA LEU 49 11.973 10.226 3.858
356 HB2 LEU 49 HB2 LEU 49 12.540 7.593 2.426
357 HB3 LEU 49 HB3 LEU 49 12.259 7.801 4.165
358 HG LEU 49 HG LEU 49 10.243 8.402 1.953
359 HD11 LEU 49 1HD1 LEU 49 10.384 6.152 4.000
360 HD12 LEU 49 2HD1 LEU 49 9.067 6.422 2.833
361 HD13 LEU 49 3HD1 LEU 49 10.693 5.994 2.255
362 HD21 LEU 49 3HD2 LEU 49 9.983 8.453 4.992
363 HD22 LEU 49 1HD2 LEU 49 9.900 9.861 3.906
364 HD23 LEU 49 2HD2 LEU 49 8.636 8.618 3.842
365 H LEU 50 H LEU 50 14.369 8.927 1.482
366 HA LEU 50 HA LEU 50 16.465 8.743 3.370
367 HB2 LEU 50 HB2 LEU 50 16.583 8.912 0.354
368 HB3 LEU 50 HB3 LEU 50 17.919 8.469 1.433
369 HG LEU 50 HG LEU 50 15.281 6.954 1.193
370 HD11 LEU 50 1HD1 LEU 50 18.083 6.275 0.203
371 HD12 LEU 50 2HD1 LEU 50 16.635 5.251 0.046
372 HD13 LEU 50 3HD1 LEU 50 16.728 6.801 -0.822
373 HD21 LEU 50 3HD2 LEU 50 17.850 6.335 2.713
374 HD22 LEU 50 1HD2 LEU 50 16.262 6.702 3.429
375 HD23 LEU 50 2HD2 LEU 50 16.490 5.209 2.499
376 H THR 51 H THR 51 15.530 11.384 1.082
377 HA THR 51 HA THR 51 17.888 12.869 1.891
378 HB THR 51 HB THR 51 17.027 14.536 0.313
379 HG1 THR 51 HG1 THR 51 14.846 13.925 0.436
380 HG21 THR 51 1HG2 THR 51 17.283 11.700 -0.775
381 HG22 THR 51 2HG2 THR 51 17.568 13.204 -1.682
382 HG23 THR 51 3HG2 THR 51 18.650 12.753 -0.344
383 H ASP 52 H ASP 52 17.512 13.026 4.124
384 HA ASP 52 HA ASP 52 15.161 14.534 4.943
385 HB2 ASP 52 HB2 ASP 52 15.820 12.631 6.344
386 HB3 ASP 52 HB3 ASP 52 17.450 13.307 6.540
387 H GLY 53 H GLY 53 15.264 16.591 4.509
388 HA2 GLY 53 HA2 GLY 53 15.792 18.726 4.936
389 HA3 GLY 53 HA3 GLY 53 17.355 18.227 5.597
390 H GLU 54 H GLU 54 17.568 16.543 2.828
391 HA GLU 54 HA GLU 54 19.145 18.526 1.533
392 HB2 GLU 54 HB2 GLU 54 18.279 15.832 0.510
393 HB3 GLU 54 HB3 GLU 54 19.527 16.878 -0.178
394 HG2 GLU 54 HG2 GLU 54 20.819 16.735 1.919
395 HG3 GLU 54 HG3 GLU 54 19.559 15.714 2.638
396 H ASP 55 H ASP 55 15.895 17.140 0.907
397 HA ASP 55 HA ASP 55 15.423 18.372 -1.556
398 HB2 ASP 55 HB2 ASP 55 13.486 17.566 0.660
399 HB3 ASP 55 HB3 ASP 55 13.000 18.107 -0.954
400 H ASP 56 H ASP 56 14.736 19.321 1.829
401 HA ASP 56 HA ASP 56 14.057 21.153 2.862
402 HB2 ASP 56 HB2 ASP 56 16.341 21.821 2.238
403 HB3 ASP 56 HB3 ASP 56 15.708 22.575 0.765
404 H VAL 57 H VAL 57 12.073 20.085 1.216
405 HA VAL 57 HA VAL 57 10.788 22.454 0.047
406 HB VAL 57 HB VAL 57 10.038 19.515 -0.106
407 HG11 VAL 57 1HG1 VAL 57 8.849 21.995 -1.425
408 HG12 VAL 57 2HG1 VAL 57 8.390 20.315 -1.787
409 HG13 VAL 57 3HG1 VAL 57 8.064 20.996 -0.179
410 HG21 VAL 57 3HG2 VAL 57 11.190 21.441 -2.173
411 HG22 VAL 57 1HG2 VAL 57 12.062 20.092 -1.411
412 HG23 VAL 57 2HG2 VAL 57 10.684 19.763 -2.483
413 H PHE 58 H PHE 58 10.447 19.667 2.346
414 HA PHE 58 HA PHE 58 7.988 20.553 3.461
415 HB2 PHE 58 HB2 PHE 58 9.758 18.275 4.051
416 HB3 PHE 58 HB3 PHE 58 8.492 18.808 5.186
417 HD1 PHE 58 HD1 PHE 58 9.070 17.851 1.613
418 HD2 PHE 58 HD2 PHE 58 6.186 18.519 4.731
419 HE1 PHE 58 HE1 PHE 58 7.260 17.066 0.111
420 HE2 PHE 58 HE2 PHE 58 4.381 17.716 3.235
421 HZ PHE 58 HZ PHE 58 4.915 16.997 0.920
422 H ASP 59 H ASP 59 11.313 21.289 4.559
423 HA ASP 59 HA ASP 59 10.377 22.222 7.064
424 HB2 ASP 59 HB2 ASP 59 12.841 23.116 5.560
425 HB3 ASP 59 HB3 ASP 59 12.468 23.404 7.271
426 HA PRO 60 HA PRO 60 9.743 26.513 5.250
427 HB2 PRO 60 HB2 PRO 60 9.602 27.054 2.575
428 HB3 PRO 60 HB3 PRO 60 11.153 27.036 3.485
429 HG2 PRO 60 HG2 PRO 60 9.923 24.796 1.853
430 HG3 PRO 60 HG3 PRO 60 11.604 25.415 1.774
431 HD2 PRO 60 HD2 PRO 60 10.969 23.198 3.229
432 HD3 PRO 60 HD3 PRO 60 12.175 24.378 3.826
433 H ASP 61 H ASP 61 8.327 23.718 3.645
434 HA ASP 61 HA ASP 61 6.289 23.080 3.079
435 HB2 ASP 61 HB2 ASP 61 6.107 23.204 5.567
436 HB3 ASP 61 HB3 ASP 61 5.272 24.757 5.361
437 H LEU 62 H LEU 62 7.217 24.918 1.343
438 HA LEU 62 HA LEU 62 4.874 26.613 0.804
439 HB2 LEU 62 HB2 LEU 62 7.681 26.767 -0.378
440 HB3 LEU 62 HB3 LEU 62 6.316 27.829 -0.781
441 HG LEU 62 HG LEU 62 7.582 27.549 1.980
442 HD11 LEU 62 1HD1 LEU 62 7.776 29.768 -0.100
443 HD12 LEU 62 2HD1 LEU 62 8.481 29.806 1.535
444 HD13 LEU 62 3HD1 LEU 62 9.076 28.633 0.339
445 HD21 LEU 62 3HD2 LEU 62 5.461 29.456 0.905
446 HD22 LEU 62 1HD2 LEU 62 5.215 28.182 2.125
447 HD23 LEU 62 2HD2 LEU 62 6.239 29.580 2.500
448 H ASP 63 H ASP 63 3.586 25.802 -0.856
449 HA ASP 63 HA ASP 63 4.819 23.791 -2.624
450 HB2 ASP 63 HB2 ASP 63 2.990 22.773 -1.348
451 HB3 ASP 63 HB3 ASP 63 1.916 24.130 -1.733
452 H MET 64 H MET 64 5.094 24.729 -4.674
453 HA MET 64 HA MET 64 3.366 27.037 -5.307
454 HB2 MET 64 HB2 MET 64 6.208 26.526 -6.215
455 HB3 MET 64 HB3 MET 64 5.151 27.821 -6.820
456 HG2 MET 64 HG2 MET 64 4.995 28.817 -4.632
457 HG3 MET 64 HG3 MET 64 5.810 27.444 -3.876
458 HE1 MET 64 HE1 MET 64 8.243 26.719 -5.498
459 HE2 MET 64 HE2 MET 64 9.492 27.781 -4.808
460 HE3 MET 64 HE3 MET 64 8.279 27.027 -3.747
461 H GLU 65 H GLU 65 1.926 26.552 -6.729
462 HA GLU 65 HA GLU 65 1.756 24.168 -8.169
463 HB2 GLU 65 HB2 GLU 65 0.329 26.816 -8.599
464 HB3 GLU 65 HB3 GLU 65 -0.114 25.257 -9.330
465 HG2 GLU 65 HG2 GLU 65 -0.382 24.292 -7.044
466 HG3 GLU 65 HG3 GLU 65 -0.050 25.893 -6.351
467 H VAL 66 H VAL 66 2.815 27.443 -9.153
468 HA VAL 66 HA VAL 66 2.963 26.968 -11.911
469 HB VAL 66 HB VAL 66 4.538 28.905 -10.195
470 HG11 VAL 66 1HG1 VAL 66 3.952 28.818 -13.187
471 HG12 VAL 66 2HG1 VAL 66 4.741 30.163 -12.331
472 HG13 VAL 66 3HG1 VAL 66 5.541 28.581 -12.422
473 HG21 VAL 66 3HG2 VAL 66 1.915 29.193 -11.724
474 HG22 VAL 66 1HG2 VAL 66 2.096 29.180 -9.954
475 HG23 VAL 66 2HG2 VAL 66 2.784 30.512 -10.907
476 H VAL 67 H VAL 67 5.432 26.562 -9.266
477 HA VAL 67 HA VAL 67 7.569 25.927 -10.977
478 HB VAL 67 HB VAL 67 7.073 25.156 -8.101
479 HG11 VAL 67 1HG1 VAL 67 9.609 25.123 -9.789
480 HG12 VAL 67 2HG1 VAL 67 9.531 24.846 -8.032
481 HG13 VAL 67 3HG1 VAL 67 8.758 23.700 -9.145
482 HG21 VAL 67 3HG2 VAL 67 8.621 27.439 -9.398
483 HG22 VAL 67 1HG2 VAL 67 7.102 27.590 -8.482
484 HG23 VAL 67 2HG2 VAL 67 8.589 27.072 -7.659
485 H PHE 68 H PHE 68 5.153 23.710 -9.288
486 HA PHE 68 HA PHE 68 6.427 21.440 -10.518
487 HB2 PHE 68 HB2 PHE 68 5.129 20.007 -9.597
488 HB3 PHE 68 HB3 PHE 68 5.347 21.223 -8.360
489 HD1 PHE 68 HD1 PHE 68 2.952 19.645 -10.678
490 HD2 PHE 68 HD2 PHE 68 3.473 22.413 -7.430
491 HE1 PHE 68 HE1 PHE 68 0.515 19.570 -10.223
492 HE2 PHE 68 HE2 PHE 68 1.037 22.336 -6.973
493 HZ PHE 68 HZ PHE 68 -0.443 20.914 -8.370
494 H GLU 69 H GLU 69 3.677 23.415 -11.607
495 HA GLU 69 HA GLU 69 3.172 21.514 -13.713
496 HB2 GLU 69 HB2 GLU 69 2.045 24.281 -13.189
497 HB3 GLU 69 HB3 GLU 69 1.528 23.179 -14.484
498 HG2 GLU 69 HG2 GLU 69 0.881 21.490 -12.810
499 HG3 GLU 69 HG3 GLU 69 1.413 22.564 -11.502
500 H THR 70 H THR 70 5.356 21.465 -14.467
501 HA THR 70 HA THR 70 6.665 23.598 -15.743
502 HB THR 70 HB THR 70 6.848 20.593 -16.123
503 HG1 THR 70 HG1 THR 70 7.198 21.330 -13.981
504 HG21 THR 70 1HG2 THR 70 8.797 22.854 -16.749
505 HG22 THR 70 2HG2 THR 70 9.151 21.116 -16.890
506 HG23 THR 70 3HG2 THR 70 7.929 21.861 -17.945
507 H GLN 71 H GLN 71 4.311 21.092 -16.725
508 HA GLN 71 HA GLN 71 4.383 21.551 -19.524
509 HB2 GLN 71 HB2 GLN 71 2.055 20.379 -17.944
510 HB3 GLN 71 HB3 GLN 71 2.443 20.166 -19.657
511 HG2 GLN 71 HG2 GLN 71 3.435 18.249 -19.022
512 HG3 GLN 71 HG3 GLN 71 4.760 19.262 -18.434
513 HE21 GLN 71 1HE2 GLN 71 3.618 20.398 -16.107
514 HE22 GLN 71 2HE2 GLN 71 3.259 19.125 -14.962