Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
18741 | 2e45 RC | 7365 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H ASP 1 H ASP 1 -16.829 3.808 1.676
2 HA ASP 1 HA ASP 1 -18.957 4.601 2.390
3 1HB ASP 1 1HB ASP 1 -17.486 3.111 4.587
4 2HB ASP 1 2HB ASP 1 -19.217 3.035 4.255
5 H SER 2 H SER 2 -16.311 5.496 4.556
6 HA SER 2 HA SER 2 -18.156 7.391 5.970
7 1HB SER 2 1HB SER 2 -16.295 5.435 6.838
8 2HB SER 2 2HB SER 2 -15.585 7.000 7.224
9 HG SER 2 HG SER 2 -16.928 6.987 8.836
10 H PHE 3 H PHE 3 -17.817 8.925 4.126
11 HA PHE 3 HA PHE 3 -16.765 10.843 3.227
12 1HB PHE 3 1HB PHE 3 -15.940 10.487 5.992
13 2HB PHE 3 2HB PHE 3 -14.672 11.276 5.054
14 HD1 PHE 3 HD1 PHE 3 -17.614 11.831 6.903
15 HD2 PHE 3 HD2 PHE 3 -15.566 13.144 3.363
16 HE1 PHE 3 HE1 PHE 3 -18.894 13.954 6.951
17 HE2 PHE 3 HE2 PHE 3 -16.846 15.268 3.411
18 HZ PHE 3 HZ PHE 3 -18.510 15.673 5.204
19 H TRP 4 H TRP 4 -15.669 7.959 2.841
20 HA TRP 4 HA TRP 4 -13.877 6.980 1.651
21 1HB TRP 4 1HB TRP 4 -14.327 9.696 0.746
22 2HB TRP 4 2HB TRP 4 -12.623 9.272 0.581
23 HD1 TRP 4 HD1 TRP 4 -15.958 8.723 -0.973
24 HE1 TRP 4 HE1 TRP 4 -15.769 7.028 -2.906
25 HE3 TRP 4 HE3 TRP 4 -11.234 6.967 -0.148
26 HZ2 TRP 4 HZ2 TRP 4 -13.866 5.172 -3.963
27 HZ3 TRP 4 HZ3 TRP 4 -10.259 5.237 -1.632
28 HH2 TRP 4 HH2 TRP 4 -11.568 4.338 -3.536
29 H ASN 5 H ASN 5 -13.251 7.129 4.275
30 HA ASN 5 HA ASN 5 -11.155 8.708 5.224
31 1HB ASN 5 1HB ASN 5 -12.121 5.910 5.614
32 2HB ASN 5 2HB ASN 5 -10.560 6.329 6.322
33 1HD2 ASN 5 1HD2 ASN 5 -10.729 7.150 8.406
34 2HD2 ASN 5 2HD2 ASN 5 -12.068 7.993 9.021
35 HA PRO 6 HA PRO 6 -7.565 7.661 2.933
36 1HB PRO 6 1HB PRO 6 -5.633 7.584 4.868
37 2HB PRO 6 2HB PRO 6 -6.379 9.094 4.308
38 1HG PRO 6 1HG PRO 6 -6.929 7.510 6.765
39 2HG PRO 6 2HG PRO 6 -6.884 9.265 6.539
40 1HD PRO 6 1HD PRO 6 -9.195 7.814 6.684
41 2HD PRO 6 2HD PRO 6 -9.051 9.358 5.814
42 H ASN 7 H ASN 7 -8.370 5.645 5.695
43 HA ASN 7 HA ASN 7 -6.540 3.475 4.927
44 1HB ASN 7 1HB ASN 7 -7.745 4.339 7.236
45 2HB ASN 7 2HB ASN 7 -8.770 2.971 6.799
46 1HD2 ASN 7 1HD2 ASN 7 -5.419 3.886 7.594
47 2HD2 ASN 7 2HD2 ASN 7 -4.892 2.308 7.928
48 H ALA 8 H ALA 8 -10.068 3.368 5.507
49 HA ALA 8 HA ALA 8 -11.697 1.990 4.461
50 1HB ALA 8 1HB ALA 8 -10.150 3.254 2.177
51 2HB ALA 8 2HB ALA 8 -11.547 3.940 3.008
52 3HB ALA 8 3HB ALA 8 -11.737 2.504 2.001
53 H PHE 9 H PHE 9 -11.552 0.606 1.995
54 HA PHE 9 HA PHE 9 -9.587 -1.545 2.688
55 1HB PHE 9 1HB PHE 9 -12.372 -1.470 2.171
56 2HB PHE 9 2HB PHE 9 -11.635 -2.282 0.789
57 HD1 PHE 9 HD1 PHE 9 -9.777 -4.068 1.390
58 HD2 PHE 9 HD2 PHE 9 -12.830 -2.713 4.092
59 HE1 PHE 9 HE1 PHE 9 -9.485 -6.121 2.750
60 HE2 PHE 9 HE2 PHE 9 -12.538 -4.767 5.452
61 HZ PHE 9 HZ PHE 9 -10.865 -6.470 4.781
62 H GLU 10 H GLU 10 -8.538 0.616 1.242
63 HA GLU 10 HA GLU 10 -8.706 0.236 -1.626
64 1HB GLU 10 1HB GLU 10 -6.861 1.857 -1.607
65 2HB GLU 10 2HB GLU 10 -8.097 2.343 -0.449
66 1HG GLU 10 1HG GLU 10 -6.728 1.072 1.310
67 2HG GLU 10 2HG GLU 10 -5.432 1.035 0.113
68 H THR 11 H THR 11 -5.968 0.265 -2.328
69 HA THR 11 HA THR 11 -5.352 -2.592 -2.209
70 HB THR 11 HB THR 11 -3.500 -0.471 -3.249
71 HG1 THR 11 HG1 THR 11 -5.250 0.351 -4.135
72 1HG2 THR 11 1HG2 THR 11 -2.663 -2.211 -4.404
73 2HG2 THR 11 2HG2 THR 11 -4.260 -2.633 -5.024
74 3HG2 THR 11 3HG2 THR 11 -3.726 -3.259 -3.464
75 H ASP 12 H ASP 12 -2.552 -2.554 -2.091
76 HA ASP 12 HA ASP 12 -2.000 -2.724 0.686
77 1HB ASP 12 1HB ASP 12 0.355 -2.834 -0.123
78 2HB ASP 12 2HB ASP 12 -0.723 -3.823 -1.107
79 H SER 13 H SER 13 0.494 -1.223 0.818
80 HA SER 13 HA SER 13 -0.644 1.496 1.296
81 1HB SER 13 1HB SER 13 1.863 1.306 2.492
82 2HB SER 13 2HB SER 13 0.318 1.046 3.297
83 HG SER 13 HG SER 13 1.021 -0.915 3.552
84 H ASP 14 H ASP 14 2.402 -0.015 0.191
85 HA ASP 14 HA ASP 14 2.648 1.647 -2.143
86 1HB ASP 14 1HB ASP 14 2.900 3.222 -0.098
87 2HB ASP 14 2HB ASP 14 4.473 2.456 0.122
88 H LEU 15 H LEU 15 3.051 -1.041 -1.927
89 HA LEU 15 HA LEU 15 5.737 -1.860 -1.279
90 1HB LEU 15 1HB LEU 15 3.351 -2.918 -2.736
91 2HB LEU 15 2HB LEU 15 4.891 -3.724 -3.021
92 HG LEU 15 HG LEU 15 3.552 -4.694 -1.113
93 1HD1 LEU 15 1HD1 LEU 15 5.839 -5.230 -1.043
94 2HD1 LEU 15 2HD1 LEU 15 5.566 -4.489 0.534
95 3HD1 LEU 15 3HD1 LEU 15 6.319 -3.557 -0.760
96 1HD2 LEU 15 1HD2 LEU 15 4.160 -1.955 0.035
97 2HD2 LEU 15 2HD2 LEU 15 3.697 -3.335 1.031
98 3HD2 LEU 15 3HD2 LEU 15 2.576 -2.703 -0.175
99 HA PRO 16 HA PRO 16 7.998 -0.778 -4.881
100 1HB PRO 16 1HB PRO 16 9.333 -3.080 -5.540
101 2HB PRO 16 2HB PRO 16 9.758 -2.083 -4.133
102 1HG PRO 16 1HG PRO 16 8.167 -4.599 -4.258
103 2HG PRO 16 2HG PRO 16 9.367 -4.081 -3.063
104 1HD PRO 16 1HD PRO 16 6.690 -3.940 -2.630
105 2HD PRO 16 2HD PRO 16 7.851 -2.812 -1.896
106 H ALA 17 H ALA 17 8.587 -1.985 -7.235
107 HA ALA 17 HA ALA 17 5.929 -2.364 -8.459
108 1HB ALA 17 1HB ALA 17 7.615 -2.482 -10.512
109 2HB ALA 17 2HB ALA 17 8.748 -1.835 -9.326
110 3HB ALA 17 3HB ALA 17 7.275 -0.946 -9.716
111 H GLY 18 H GLY 18 5.093 -4.384 -8.711
112 1HA GLY 18 1HA GLY 18 5.229 -6.602 -9.702
113 2HA GLY 18 2HA GLY 18 6.951 -6.629 -9.329
114 H TRP 19 H TRP 19 5.288 -5.339 -6.703
115 HA TRP 19 HA TRP 19 5.189 -8.040 -5.397
116 1HB TRP 19 1HB TRP 19 6.257 -5.354 -4.608
117 2HB TRP 19 2HB TRP 19 5.642 -6.414 -3.341
118 HD1 TRP 19 HD1 TRP 19 8.581 -5.866 -5.565
119 HE1 TRP 19 HE1 TRP 19 10.318 -7.741 -5.219
120 HE3 TRP 19 HE3 TRP 19 5.809 -9.135 -2.788
121 HZ2 TRP 19 HZ2 TRP 19 10.504 -10.294 -3.936
122 HZ3 TRP 19 HZ3 TRP 19 6.790 -11.280 -2.021
123 HH2 TRP 19 HH2 TRP 19 9.131 -11.861 -2.590
124 H MET 20 H MET 20 3.268 -8.532 -4.342
125 HA MET 20 HA MET 20 1.182 -6.375 -4.266
126 1HB MET 20 1HB MET 20 0.826 -9.379 -4.410
127 2HB MET 20 2HB MET 20 -0.404 -8.152 -4.690
128 1HG MET 20 1HG MET 20 1.930 -7.752 -6.390
129 2HG MET 20 2HG MET 20 1.200 -9.338 -6.635
130 1HE MET 20 1HE MET 20 0.868 -5.567 -7.791
131 2HE MET 20 2HE MET 20 0.708 -5.748 -6.046
132 3HE MET 20 3HE MET 20 -0.674 -5.214 -7.000
133 H ARG 21 H ARG 21 -0.460 -6.709 -2.510
134 HA ARG 21 HA ARG 21 0.786 -7.865 -0.035
135 1HB ARG 21 1HB ARG 21 0.520 -5.303 -0.377
136 2HB ARG 21 2HB ARG 21 -1.205 -5.595 -0.150
137 1HG ARG 21 1HG ARG 21 -0.636 -6.765 2.014
138 2HG ARG 21 2HG ARG 21 1.025 -6.209 1.805
139 1HD ARG 21 1HD ARG 21 0.506 -4.067 2.405
140 2HD ARG 21 2HD ARG 21 -1.025 -4.093 1.507
141 HE ARG 21 HE ARG 21 -1.819 -5.649 3.432
142 1HH1 ARG 21 1HH1 ARG 21 1.110 -4.760 4.476
143 2HH1 ARG 21 2HH1 ARG 21 0.599 -3.805 5.828
144 1HH2 ARG 21 1HH2 ARG 21 -2.729 -3.733 4.860
145 2HH2 ARG 21 2HH2 ARG 21 -1.574 -3.225 6.046
146 H VAL 22 H VAL 22 -0.328 -9.809 0.204
147 HA VAL 22 HA VAL 22 -3.295 -9.769 -0.194
148 HB VAL 22 HB VAL 22 -1.453 -12.151 0.052
149 1HG1 VAL 22 1HG1 VAL 22 -4.250 -11.637 -0.911
150 2HG1 VAL 22 2HG1 VAL 22 -3.660 -12.903 0.167
151 3HG1 VAL 22 3HG1 VAL 22 -3.336 -12.996 -1.565
152 1HG2 VAL 22 1HG2 VAL 22 -1.253 -12.137 -2.388
153 2HG2 VAL 22 2HG2 VAL 22 -0.648 -10.610 -1.746
154 3HG2 VAL 22 3HG2 VAL 22 -2.247 -10.684 -2.485
155 H GLN 23 H GLN 23 -4.556 -11.065 1.371
156 HA GLN 23 HA GLN 23 -3.321 -11.087 4.107
157 1HB GLN 23 1HB GLN 23 -5.229 -9.414 3.288
158 2HB GLN 23 2HB GLN 23 -6.265 -10.800 3.628
159 1HG GLN 23 1HG GLN 23 -6.100 -10.469 5.850
160 2HG GLN 23 2HG GLN 23 -4.339 -10.407 5.763
161 1HE2 GLN 23 1HE2 GLN 23 -4.434 -8.575 7.344
162 2HE2 GLN 23 2HE2 GLN 23 -4.836 -7.019 6.798
163 H ASP 24 H ASP 24 -2.752 -13.397 3.577
164 HA ASP 24 HA ASP 24 -4.855 -15.328 3.045
165 1HB ASP 24 1HB ASP 24 -2.020 -15.168 3.154
166 2HB ASP 24 2HB ASP 24 -2.518 -16.471 4.231
167 H THR 25 H THR 25 -5.199 -17.199 4.632
168 HA THR 25 HA THR 25 -6.309 -16.280 7.083
169 HB THR 25 HB THR 25 -6.944 -18.350 5.932
170 HG1 THR 25 HG1 THR 25 -7.086 -18.189 8.265
171 1HG2 THR 25 1HG2 THR 25 -5.473 -19.990 5.343
172 2HG2 THR 25 2HG2 THR 25 -4.540 -19.825 6.830
173 3HG2 THR 25 3HG2 THR 25 -4.284 -18.697 5.499
174 H SER 26 H SER 26 -3.042 -17.168 6.240
175 HA SER 26 HA SER 26 -2.161 -17.623 8.998
176 1HB SER 26 1HB SER 26 -0.966 -17.486 6.252
177 2HB SER 26 2HB SER 26 0.109 -17.375 7.643
178 HG SER 26 HG SER 26 -0.058 -19.505 7.361
179 H GLY 27 H GLY 27 -2.203 -14.946 6.695
180 1HA GLY 27 1HA GLY 27 -2.242 -12.821 8.408
181 2HA GLY 27 2HA GLY 27 -0.529 -13.244 8.402
182 H THR 28 H THR 28 -0.976 -10.803 7.452
183 HA THR 28 HA THR 28 -1.543 -10.780 4.578
184 HB THR 28 HB THR 28 -0.476 -8.746 6.561
185 HG1 THR 28 HG1 THR 28 -2.665 -7.929 6.138
186 1HG2 THR 28 1HG2 THR 28 -1.138 -7.094 4.763
187 2HG2 THR 28 2HG2 THR 28 -1.283 -8.461 3.658
188 3HG2 THR 28 3HG2 THR 28 0.279 -8.072 4.379
189 H TYR 29 H TYR 29 -0.003 -11.620 3.197
190 HA TYR 29 HA TYR 29 2.878 -11.131 3.876
191 1HB TYR 29 1HB TYR 29 3.303 -13.188 2.639
192 2HB TYR 29 2HB TYR 29 2.041 -13.490 3.827
193 HD1 TYR 29 HD1 TYR 29 2.842 -13.205 0.270
194 HD2 TYR 29 HD2 TYR 29 -0.328 -13.684 3.128
195 HE1 TYR 29 HE1 TYR 29 1.316 -13.928 -1.546
196 HE2 TYR 29 HE2 TYR 29 -1.855 -14.406 1.313
197 HH TYR 29 HH TYR 29 -1.287 -15.571 -1.213
198 H TYR 30 H TYR 30 3.797 -11.879 1.253
199 HA TYR 30 HA TYR 30 2.694 -9.663 -0.442
200 1HB TYR 30 1HB TYR 30 5.548 -10.386 0.272
201 2HB TYR 30 2HB TYR 30 5.143 -9.294 -1.053
202 HD1 TYR 30 HD1 TYR 30 3.929 -7.159 -0.592
203 HD2 TYR 30 HD2 TYR 30 5.379 -9.690 2.562
204 HE1 TYR 30 HE1 TYR 30 3.692 -5.288 1.019
205 HE2 TYR 30 HE2 TYR 30 5.142 -7.819 4.172
206 HH TYR 30 HH TYR 30 5.026 -5.411 4.187
207 H TRP 31 H TRP 31 2.366 -10.263 -2.568
208 HA TRP 31 HA TRP 31 3.297 -12.988 -3.383
209 1HB TRP 31 1HB TRP 31 0.940 -12.839 -3.467
210 2HB TRP 31 2HB TRP 31 0.978 -11.193 -4.086
211 HD1 TRP 31 HD1 TRP 31 3.206 -13.876 -5.605
212 HE1 TRP 31 HE1 TRP 31 2.427 -14.343 -8.018
213 HE3 TRP 31 HE3 TRP 31 -1.104 -11.140 -5.685
214 HZ2 TRP 31 HZ2 TRP 31 0.262 -13.647 -9.753
215 HZ3 TRP 31 HZ3 TRP 31 -2.505 -11.059 -7.728
216 HH2 TRP 31 HH2 TRP 31 -1.828 -12.308 -9.760
217 H HIS 32 H HIS 32 5.052 -12.939 -4.705
218 HA HIS 32 HA HIS 32 5.874 -10.512 -6.107
219 1HB HIS 32 1HB HIS 32 7.122 -12.657 -5.000
220 2HB HIS 32 2HB HIS 32 7.137 -13.131 -6.699
221 HD1 HIS 32 HD1 HIS 32 9.836 -12.501 -5.592
222 HD2 HIS 32 HD2 HIS 32 7.364 -9.514 -7.119
223 HE1 HIS 32 HE1 HIS 32 11.347 -10.564 -6.207
224 H ILE 33 H ILE 33 4.736 -9.976 -7.899
225 HA ILE 33 HA ILE 33 3.284 -11.764 -9.595
226 HB ILE 33 HB ILE 33 4.357 -8.962 -10.040
227 1HG1 ILE 33 1HG1 ILE 33 1.759 -9.974 -8.830
228 2HG1 ILE 33 2HG1 ILE 33 3.049 -9.129 -7.974
229 1HG2 ILE 33 1HG2 ILE 33 2.881 -8.766 -11.822
230 2HG2 ILE 33 2HG2 ILE 33 1.810 -10.027 -11.211
231 3HG2 ILE 33 3HG2 ILE 33 3.336 -10.462 -11.978
232 1HD1 ILE 33 1HD1 ILE 33 2.450 -7.493 -10.174
233 2HD1 ILE 33 2HD1 ILE 33 2.012 -7.197 -8.492
234 3HD1 ILE 33 3HD1 ILE 33 0.884 -8.028 -9.563
235 HA PRO 34 HA PRO 34 6.987 -11.174 -12.604
236 1HB PRO 34 1HB PRO 34 9.451 -10.758 -11.487
237 2HB PRO 34 2HB PRO 34 8.370 -9.444 -11.989
238 1HG PRO 34 1HG PRO 34 8.905 -10.523 -9.277
239 2HG PRO 34 2HG PRO 34 8.598 -8.858 -9.792
240 1HD PRO 34 1HD PRO 34 6.742 -10.469 -8.592
241 2HD PRO 34 2HD PRO 34 6.335 -9.098 -9.646
242 H THR 35 H THR 35 8.588 -12.392 -9.613
243 HA THR 35 HA THR 35 9.376 -14.841 -11.053
244 HB THR 35 HB THR 35 10.953 -13.778 -9.561
245 HG1 THR 35 HG1 THR 35 11.121 -15.962 -9.426
246 1HG2 THR 35 1HG2 THR 35 10.008 -14.032 -6.988
247 2HG2 THR 35 2HG2 THR 35 8.562 -13.541 -7.872
248 3HG2 THR 35 3HG2 THR 35 10.011 -12.536 -7.922
249 H GLY 36 H GLY 36 6.798 -13.821 -8.981
250 1HA GLY 36 1HA GLY 36 4.833 -15.063 -8.479
251 2HA GLY 36 2HA GLY 36 5.622 -16.511 -9.106
252 H THR 37 H THR 37 7.989 -15.539 -7.257
253 HA THR 37 HA THR 37 7.586 -17.396 -5.145
254 HB THR 37 HB THR 37 9.262 -14.883 -5.043
255 HG1 THR 37 HG1 THR 37 10.135 -17.296 -6.175
256 1HG2 THR 37 1HG2 THR 37 9.920 -15.876 -3.134
257 2HG2 THR 37 2HG2 THR 37 10.720 -17.070 -4.158
258 3HG2 THR 37 3HG2 THR 37 9.094 -17.379 -3.547
259 H THR 38 H THR 38 7.286 -16.883 -2.825
260 HA THR 38 HA THR 38 5.568 -14.458 -2.401
261 HB THR 38 HB THR 38 4.807 -16.281 -0.491
262 HG1 THR 38 HG1 THR 38 5.269 -18.207 -1.142
263 1HG2 THR 38 1HG2 THR 38 2.978 -16.848 -2.262
264 2HG2 THR 38 2HG2 THR 38 3.822 -15.670 -3.267
265 3HG2 THR 38 3HG2 THR 38 3.140 -15.179 -1.716
266 H GLN 39 H GLN 39 5.771 -13.457 -0.291
267 HA GLN 39 HA GLN 39 8.055 -14.379 1.399
268 1HB GLN 39 1HB GLN 39 7.671 -11.738 -0.014
269 2HB GLN 39 2HB GLN 39 8.685 -11.858 1.424
270 1HG GLN 39 1HG GLN 39 9.817 -13.846 0.189
271 2HG GLN 39 2HG GLN 39 9.064 -13.177 -1.258
272 1HE2 GLN 39 1HE2 GLN 39 11.919 -13.212 -0.927
273 2HE2 GLN 39 2HE2 GLN 39 12.455 -11.607 -0.788
274 H TRP 40 H TRP 40 8.092 -12.588 3.359
275 HA TRP 40 HA TRP 40 5.257 -12.073 4.181
276 1HB TRP 40 1HB TRP 40 7.464 -13.463 5.735
277 2HB TRP 40 2HB TRP 40 5.902 -13.010 6.416
278 HD1 TRP 40 HD1 TRP 40 7.512 -15.409 3.923
279 HE1 TRP 40 HE1 TRP 40 5.831 -17.283 3.368
280 HE3 TRP 40 HE3 TRP 40 3.371 -13.617 6.315
281 HZ2 TRP 40 HZ2 TRP 40 3.091 -17.936 3.872
282 HZ3 TRP 40 HZ3 TRP 40 1.242 -14.884 6.262
283 HH2 TRP 40 HH2 TRP 40 1.096 -17.039 5.045
284 H GLU 41 H GLU 41 8.257 -10.766 3.651
285 HA GLU 41 HA GLU 41 7.907 -8.713 5.815
286 1HB GLU 41 1HB GLU 41 10.428 -9.592 4.367
287 2HB GLU 41 2HB GLU 41 10.340 -8.502 5.751
288 1HG GLU 41 1HG GLU 41 9.069 -10.545 6.863
289 2HG GLU 41 2HG GLU 41 9.956 -11.470 5.651
290 HA PRO 42 HA PRO 42 7.532 -5.696 2.647
291 1HB PRO 42 1HB PRO 42 8.770 -3.543 3.798
292 2HB PRO 42 2HB PRO 42 7.180 -4.136 4.320
293 1HG PRO 42 1HG PRO 42 9.856 -4.564 5.549
294 2HG PRO 42 2HG PRO 42 8.287 -4.294 6.324
295 1HD PRO 42 1HD PRO 42 9.460 -6.750 6.101
296 2HD PRO 42 2HD PRO 42 7.702 -6.503 6.206
297 HA PRO 43 HA PRO 43 11.587 -6.309 0.770
298 1HB PRO 43 1HB PRO 43 10.700 -6.046 -1.805
299 2HB PRO 43 2HB PRO 43 10.539 -7.551 -0.878
300 1HG PRO 43 1HG PRO 43 8.507 -5.464 -1.466
301 2HG PRO 43 2HG PRO 43 8.326 -7.222 -1.361
302 1HD PRO 43 1HD PRO 43 7.586 -5.476 0.621
303 2HD PRO 43 2HD PRO 43 8.008 -7.180 0.897
304 H GLY 44 H GLY 44 12.809 -4.456 1.072
305 1HA GLY 44 1HA GLY 44 12.301 -2.172 -0.730
306 2HA GLY 44 2HA GLY 44 12.255 -1.821 0.999
307 H ARG 45 H ARG 45 14.374 -3.612 -1.277
308 HA ARG 45 HA ARG 45 16.750 -3.299 0.305
309 1HB ARG 45 1HB ARG 45 16.528 -5.003 -1.405
310 2HB ARG 45 2HB ARG 45 16.235 -3.783 -2.645
311 1HG ARG 45 1HG ARG 45 18.523 -4.376 -2.901
312 2HG ARG 45 2HG ARG 45 18.546 -2.841 -2.032
313 1HD ARG 45 1HD ARG 45 19.657 -3.820 -0.321
314 2HD ARG 45 2HD ARG 45 18.337 -4.990 -0.121
315 HE ARG 45 HE ARG 45 20.830 -5.498 -1.512
316 1HH1 ARG 45 1HH1 ARG 45 18.702 -7.369 -0.177
317 2HH1 ARG 45 2HH1 ARG 45 18.271 -8.340 -1.545
318 1HH2 ARG 45 1HH2 ARG 45 19.738 -6.210 -3.855
319 2HH2 ARG 45 2HH2 ARG 45 18.858 -7.684 -3.627
320 H ALA 46 H ALA 46 17.359 -1.204 0.855
321 HA ALA 46 HA ALA 46 17.988 0.642 -1.402
322 1HB ALA 46 1HB ALA 46 16.789 1.924 0.962
323 2HB ALA 46 2HB ALA 46 15.690 0.836 0.113
324 3HB ALA 46 3HB ALA 46 16.442 2.179 -0.748
325 H SER 47 H SER 47 20.232 0.491 -1.003
326 HA SER 47 HA SER 47 21.158 1.226 1.753
327 1HB SER 47 1HB SER 47 23.337 0.207 0.545
328 2HB SER 47 2HB SER 47 22.134 -0.819 1.320
329 HG SER 47 HG SER 47 21.410 -1.431 -0.590
330 HA PRO 48 HA PRO 48 22.158 4.857 -0.869
331 1HB PRO 48 1HB PRO 48 21.767 6.692 1.125
332 2HB PRO 48 2HB PRO 48 20.449 6.072 0.110
333 1HG PRO 48 1HG PRO 48 21.229 5.304 2.877
334 2HG PRO 48 2HG PRO 48 19.617 5.480 2.166
335 1HD PRO 48 1HD PRO 48 20.836 3.070 2.568
336 2HD PRO 48 2HD PRO 48 19.627 3.363 1.298
337 H SER 49 H SER 49 23.526 3.256 1.739
338 HA SER 49 HA SER 49 25.699 5.197 2.245
339 1HB SER 49 1HB SER 49 25.424 2.344 3.210
340 2HB SER 49 2HB SER 49 26.287 3.668 3.987
341 HG SER 49 HG SER 49 23.567 3.081 3.909
342 H GLN 50 H GLN 50 25.111 2.239 0.436
343 HA GLN 50 HA GLN 50 27.902 2.421 -0.648
344 1HB GLN 50 1HB GLN 50 26.865 0.458 1.020
345 2HB GLN 50 2HB GLN 50 26.693 -0.252 -0.586
346 1HG GLN 50 1HG GLN 50 29.234 0.953 -0.581
347 2HG GLN 50 2HG GLN 50 29.099 0.146 0.981
348 1HE2 GLN 50 1HE2 GLN 50 27.780 -0.761 -2.253
349 2HE2 GLN 50 2HE2 GLN 50 28.508 -2.295 -2.281
Start of MODEL 2
1 H ASP 1 H ASP 1 -9.470 -1.200 -17.292
2 HA ASP 1 HA ASP 1 -11.770 -1.202 -15.465
3 1HB ASP 1 1HB ASP 1 -11.177 -3.567 -15.455
4 2HB ASP 1 2HB ASP 1 -11.166 -2.995 -17.124
5 H SER 2 H SER 2 -10.015 0.684 -14.516
6 HA SER 2 HA SER 2 -8.631 -0.760 -12.282
7 1HB SER 2 1HB SER 2 -7.255 0.263 -14.278
8 2HB SER 2 2HB SER 2 -7.593 1.797 -13.481
9 HG SER 2 HG SER 2 -5.726 1.053 -12.592
10 H PHE 3 H PHE 3 -10.067 -0.242 -10.617
11 HA PHE 3 HA PHE 3 -10.187 2.564 -9.760
12 1HB PHE 3 1HB PHE 3 -12.477 1.083 -11.027
13 2HB PHE 3 2HB PHE 3 -12.809 2.292 -9.786
14 HD1 PHE 3 HD1 PHE 3 -11.068 4.455 -10.144
15 HD2 PHE 3 HD2 PHE 3 -12.729 1.913 -13.183
16 HE1 PHE 3 HE1 PHE 3 -10.767 6.260 -11.818
17 HE2 PHE 3 HE2 PHE 3 -12.427 3.717 -14.857
18 HZ PHE 3 HZ PHE 3 -11.446 5.891 -14.176
19 H TRP 4 H TRP 4 -9.104 0.339 -8.442
20 HA TRP 4 HA TRP 4 -10.656 -1.231 -6.757
21 1HB TRP 4 1HB TRP 4 -8.162 0.364 -6.072
22 2HB TRP 4 2HB TRP 4 -8.718 -1.080 -5.225
23 HD1 TRP 4 HD1 TRP 4 -6.890 0.058 -8.309
24 HE1 TRP 4 HE1 TRP 4 -6.075 -1.995 -9.638
25 HE3 TRP 4 HE3 TRP 4 -9.367 -3.649 -5.815
26 HZ2 TRP 4 HZ2 TRP 4 -6.426 -4.834 -9.642
27 HZ3 TRP 4 HZ3 TRP 4 -9.108 -6.016 -6.503
28 HH2 TRP 4 HH2 TRP 4 -7.643 -6.612 -8.412
29 H ASN 5 H ASN 5 -11.458 -0.893 -4.557
30 HA ASN 5 HA ASN 5 -12.447 1.885 -4.126
31 1HB ASN 5 1HB ASN 5 -13.491 -0.753 -3.919
32 2HB ASN 5 2HB ASN 5 -13.457 -0.086 -2.286
33 1HD2 ASN 5 1HD2 ASN 5 -15.926 -0.119 -2.599
34 2HD2 ASN 5 2HD2 ASN 5 -16.638 1.217 -3.366
35 HA PRO 6 HA PRO 6 -9.603 2.412 -0.795
36 1HB PRO 6 1HB PRO 6 -10.868 4.480 0.476
37 2HB PRO 6 2HB PRO 6 -9.966 4.684 -1.040
38 1HG PRO 6 1HG PRO 6 -12.899 4.466 -0.596
39 2HG PRO 6 2HG PRO 6 -12.002 5.476 -1.740
40 1HD PRO 6 1HD PRO 6 -13.277 3.160 -2.434
41 2HD PRO 6 2HD PRO 6 -11.870 3.813 -3.302
42 H ASN 7 H ASN 7 -13.019 1.823 -0.304
43 HA ASN 7 HA ASN 7 -12.753 1.345 2.589
44 1HB ASN 7 1HB ASN 7 -14.902 1.249 0.487
45 2HB ASN 7 2HB ASN 7 -15.194 0.506 2.060
46 1HD2 ASN 7 1HD2 ASN 7 -13.067 3.300 1.856
47 2HD2 ASN 7 2HD2 ASN 7 -14.138 4.403 2.575
48 H ALA 8 H ALA 8 -12.685 -0.508 -0.388
49 HA ALA 8 HA ALA 8 -13.293 -3.105 0.607
50 1HB ALA 8 1HB ALA 8 -13.063 -2.364 -1.776
51 2HB ALA 8 2HB ALA 8 -12.145 -3.831 -1.427
52 3HB ALA 8 3HB ALA 8 -11.316 -2.279 -1.544
53 H PHE 9 H PHE 9 -10.733 -4.373 -0.260
54 HA PHE 9 HA PHE 9 -9.386 -4.329 2.359
55 1HB PHE 9 1HB PHE 9 -9.455 -5.972 -0.126
56 2HB PHE 9 2HB PHE 9 -7.972 -6.045 0.826
57 HD1 PHE 9 HD1 PHE 9 -11.228 -7.374 0.451
58 HD2 PHE 9 HD2 PHE 9 -8.324 -6.324 3.437
59 HE1 PHE 9 HE1 PHE 9 -12.339 -8.894 2.065
60 HE2 PHE 9 HE2 PHE 9 -9.436 -7.843 5.052
61 HZ PHE 9 HZ PHE 9 -11.444 -9.128 4.366
62 H GLU 10 H GLU 10 -7.898 -2.704 2.685
63 HA GLU 10 HA GLU 10 -6.662 -1.040 0.823
64 1HB GLU 10 1HB GLU 10 -5.900 -2.149 3.517
65 2HB GLU 10 2HB GLU 10 -4.798 -1.060 2.674
66 1HG GLU 10 1HG GLU 10 -6.849 0.487 2.389
67 2HG GLU 10 2HG GLU 10 -7.603 -0.507 3.636
68 H THR 11 H THR 11 -4.975 -1.281 -0.632
69 HA THR 11 HA THR 11 -3.847 -3.999 -0.986
70 HB THR 11 HB THR 11 -3.149 -1.679 -2.726
71 HG1 THR 11 HG1 THR 11 -5.180 -1.592 -3.582
72 1HG2 THR 11 1HG2 THR 11 -4.036 -3.567 -4.375
73 2HG2 THR 11 2HG2 THR 11 -3.746 -4.597 -2.973
74 3HG2 THR 11 3HG2 THR 11 -2.423 -3.661 -3.669
75 H ASP 12 H ASP 12 -1.392 -3.361 -2.140
76 HA ASP 12 HA ASP 12 0.467 -3.323 -0.106
77 1HB ASP 12 1HB ASP 12 2.032 -2.606 -1.816
78 2HB ASP 12 2HB ASP 12 0.804 -3.604 -2.592
79 H SER 13 H SER 13 1.009 -1.852 1.455
80 HA SER 13 HA SER 13 -0.178 0.802 1.513
81 1HB SER 13 1HB SER 13 0.761 0.853 3.685
82 2HB SER 13 2HB SER 13 0.451 -0.859 3.409
83 HG SER 13 HG SER 13 2.505 -1.097 3.748
84 H ASP 14 H ASP 14 2.922 -0.531 0.527
85 HA ASP 14 HA ASP 14 3.697 1.832 -0.901
86 1HB ASP 14 1HB ASP 14 3.833 2.259 1.747
87 2HB ASP 14 2HB ASP 14 5.413 1.507 1.521
88 H LEU 15 H LEU 15 3.760 -0.842 -1.622
89 HA LEU 15 HA LEU 15 6.512 -1.866 -1.244
90 1HB LEU 15 1HB LEU 15 3.948 -2.822 -2.523
91 2HB LEU 15 2HB LEU 15 5.461 -3.692 -2.767
92 HG LEU 15 HG LEU 15 4.249 -4.650 -0.864
93 1HD1 LEU 15 1HD1 LEU 15 6.882 -3.973 -0.910
94 2HD1 LEU 15 2HD1 LEU 15 6.139 -4.892 0.399
95 3HD1 LEU 15 3HD1 LEU 15 6.371 -3.151 0.564
96 1HD2 LEU 15 1HD2 LEU 15 3.436 -3.396 0.921
97 2HD2 LEU 15 2HD2 LEU 15 3.216 -2.251 -0.401
98 3HD2 LEU 15 3HD2 LEU 15 4.605 -2.099 0.675
99 HA PRO 16 HA PRO 16 8.082 -0.436 -5.082
100 1HB PRO 16 1HB PRO 16 9.426 -2.618 -6.050
101 2HB PRO 16 2HB PRO 16 10.008 -1.652 -4.678
102 1HG PRO 16 1HG PRO 16 8.578 -4.262 -4.680
103 2HG PRO 16 2HG PRO 16 9.907 -3.705 -3.653
104 1HD PRO 16 1HD PRO 16 7.314 -3.772 -2.834
105 2HD PRO 16 2HD PRO 16 8.507 -2.611 -2.207
106 H ALA 17 H ALA 17 8.457 -1.765 -7.518
107 HA ALA 17 HA ALA 17 5.638 -2.178 -8.369
108 1HB ALA 17 1HB ALA 17 6.473 -0.803 -9.963
109 2HB ALA 17 2HB ALA 17 7.339 -2.209 -10.583
110 3HB ALA 17 3HB ALA 17 8.132 -1.113 -9.452
111 H GLY 18 H GLY 18 4.923 -4.256 -8.551
112 1HA GLY 18 1HA GLY 18 5.162 -6.393 -9.788
113 2HA GLY 18 2HA GLY 18 6.881 -6.353 -9.401
114 H TRP 19 H TRP 19 5.342 -5.235 -6.700
115 HA TRP 19 HA TRP 19 5.222 -7.992 -5.518
116 1HB TRP 19 1HB TRP 19 6.301 -5.336 -4.625
117 2HB TRP 19 2HB TRP 19 5.737 -6.475 -3.403
118 HD1 TRP 19 HD1 TRP 19 8.579 -5.792 -5.736
119 HE1 TRP 19 HE1 TRP 19 10.353 -7.651 -5.530
120 HE3 TRP 19 HE3 TRP 19 5.984 -9.181 -2.931
121 HZ2 TRP 19 HZ2 TRP 19 10.633 -10.235 -4.337
122 HZ3 TRP 19 HZ3 TRP 19 7.029 -11.333 -2.278
123 HH2 TRP 19 HH2 TRP 19 9.346 -11.863 -2.977
124 H MET 20 H MET 20 3.378 -8.469 -4.285
125 HA MET 20 HA MET 20 1.274 -6.335 -4.163
126 1HB MET 20 1HB MET 20 0.932 -9.337 -4.388
127 2HB MET 20 2HB MET 20 -0.318 -8.115 -4.585
128 1HG MET 20 1HG MET 20 2.124 -8.065 -6.341
129 2HG MET 20 2HG MET 20 0.784 -9.146 -6.718
130 1HE MET 20 1HE MET 20 -1.787 -7.313 -8.279
131 2HE MET 20 2HE MET 20 -2.033 -7.770 -6.595
132 3HE MET 20 3HE MET 20 -1.057 -8.795 -7.644
133 H ARG 21 H ARG 21 -0.319 -6.704 -2.379
134 HA ARG 21 HA ARG 21 0.970 -7.941 0.035
135 1HB ARG 21 1HB ARG 21 0.891 -5.445 -0.021
136 2HB ARG 21 2HB ARG 21 -0.864 -5.527 -0.185
137 1HG ARG 21 1HG ARG 21 -1.110 -6.528 1.979
138 2HG ARG 21 2HG ARG 21 0.627 -6.809 2.116
139 1HD ARG 21 1HD ARG 21 0.783 -4.187 1.826
140 2HD ARG 21 2HD ARG 21 -0.896 -4.234 2.403
141 HE ARG 21 HE ARG 21 0.783 -5.942 4.016
142 1HH1 ARG 21 1HH1 ARG 21 -1.029 -3.114 3.925
143 2HH1 ARG 21 2HH1 ARG 21 -0.248 -2.363 5.276
144 1HH2 ARG 21 1HH2 ARG 21 2.217 -4.786 5.538
145 2HH2 ARG 21 2HH2 ARG 21 1.589 -3.309 6.189
146 H VAL 22 H VAL 22 -0.178 -9.882 0.230
147 HA VAL 22 HA VAL 22 -3.150 -9.769 -0.102
148 HB VAL 22 HB VAL 22 -1.274 -12.139 0.025
149 1HG1 VAL 22 1HG1 VAL 22 -3.409 -12.899 -1.463
150 2HG1 VAL 22 2HG1 VAL 22 -4.183 -11.751 -0.371
151 3HG1 VAL 22 3HG1 VAL 22 -3.310 -13.136 0.282
152 1HG2 VAL 22 1HG2 VAL 22 -0.533 -11.298 -1.968
153 2HG2 VAL 22 2HG2 VAL 22 -1.927 -10.231 -2.142
154 3HG2 VAL 22 3HG2 VAL 22 -2.058 -11.933 -2.586
155 H GLN 23 H GLN 23 -4.397 -11.104 1.439
156 HA GLN 23 HA GLN 23 -3.146 -11.179 4.166
157 1HB GLN 23 1HB GLN 23 -5.071 -9.489 3.362
158 2HB GLN 23 2HB GLN 23 -6.092 -10.871 3.763
159 1HG GLN 23 1HG GLN 23 -5.422 -10.871 6.020
160 2HG GLN 23 2HG GLN 23 -3.979 -9.913 5.685
161 1HE2 GLN 23 1HE2 GLN 23 -5.231 -8.706 7.634
162 2HE2 GLN 23 2HE2 GLN 23 -6.251 -7.444 7.133
163 H ASP 24 H ASP 24 -2.602 -13.470 3.736
164 HA ASP 24 HA ASP 24 -4.601 -15.418 3.016
165 1HB ASP 24 1HB ASP 24 -1.812 -15.232 3.597
166 2HB ASP 24 2HB ASP 24 -2.487 -16.555 4.544
167 H THR 25 H THR 25 -5.036 -17.313 4.641
168 HA THR 25 HA THR 25 -6.529 -16.282 6.877
169 HB THR 25 HB THR 25 -7.038 -18.603 7.233
170 HG1 THR 25 HG1 THR 25 -4.942 -19.401 7.305
171 1HG2 THR 25 1HG2 THR 25 -7.094 -17.426 4.661
172 2HG2 THR 25 2HG2 THR 25 -8.117 -18.729 5.267
173 3HG2 THR 25 3HG2 THR 25 -6.610 -19.106 4.431
174 H SER 26 H SER 26 -3.207 -16.781 6.504
175 HA SER 26 HA SER 26 -2.783 -17.364 9.403
176 1HB SER 26 1HB SER 26 -1.359 -17.804 6.845
177 2HB SER 26 2HB SER 26 -0.327 -17.380 8.207
178 HG SER 26 HG SER 26 -1.872 -19.071 9.261
179 H GLY 27 H GLY 27 -2.378 -14.895 6.943
180 1HA GLY 27 1HA GLY 27 -2.235 -12.688 8.591
181 2HA GLY 27 2HA GLY 27 -0.564 -13.252 8.529
182 H THR 28 H THR 28 -0.602 -10.909 7.486
183 HA THR 28 HA THR 28 -1.343 -10.982 4.614
184 HB THR 28 HB THR 28 -0.114 -8.794 6.321
185 HG1 THR 28 HG1 THR 28 -2.002 -8.961 7.249
186 1HG2 THR 28 1HG2 THR 28 -0.445 -7.378 4.558
187 2HG2 THR 28 2HG2 THR 28 -1.896 -8.222 4.019
188 3HG2 THR 28 3HG2 THR 28 -0.302 -8.866 3.623
189 H TYR 29 H TYR 29 0.181 -11.750 3.194
190 HA TYR 29 HA TYR 29 3.072 -11.389 3.910
191 1HB TYR 29 1HB TYR 29 3.434 -13.420 2.599
192 2HB TYR 29 2HB TYR 29 2.164 -13.717 3.787
193 HD1 TYR 29 HD1 TYR 29 -0.217 -13.782 3.096
194 HD2 TYR 29 HD2 TYR 29 2.960 -13.380 0.233
195 HE1 TYR 29 HE1 TYR 29 -1.780 -14.402 1.275
196 HE2 TYR 29 HE2 TYR 29 1.396 -13.999 -1.590
197 HH TYR 29 HH TYR 29 -0.651 -14.698 -2.093
198 H TYR 30 H TYR 30 3.931 -12.124 1.226
199 HA TYR 30 HA TYR 30 2.901 -9.824 -0.394
200 1HB TYR 30 1HB TYR 30 5.733 -10.562 0.378
201 2HB TYR 30 2HB TYR 30 5.376 -9.469 -0.960
202 HD1 TYR 30 HD1 TYR 30 4.742 -7.208 -0.575
203 HD2 TYR 30 HD2 TYR 30 4.899 -9.984 2.701
204 HE1 TYR 30 HE1 TYR 30 4.442 -5.338 1.025
205 HE2 TYR 30 HE2 TYR 30 4.601 -8.111 4.299
206 HH TYR 30 HH TYR 30 3.680 -5.826 4.302
207 H TRP 31 H TRP 31 2.608 -10.346 -2.538
208 HA TRP 31 HA TRP 31 3.508 -13.054 -3.442
209 1HB TRP 31 1HB TRP 31 1.137 -12.796 -3.502
210 2HB TRP 31 2HB TRP 31 1.257 -11.169 -4.169
211 HD1 TRP 31 HD1 TRP 31 3.386 -14.002 -5.561
212 HE1 TRP 31 HE1 TRP 31 2.632 -14.505 -7.975
213 HE3 TRP 31 HE3 TRP 31 -0.779 -11.060 -5.813
214 HZ2 TRP 31 HZ2 TRP 31 0.537 -13.757 -9.775
215 HZ3 TRP 31 HZ3 TRP 31 -2.135 -10.974 -7.886
216 HH2 TRP 31 HH2 TRP 31 -1.483 -12.317 -9.865
217 H HIS 32 H HIS 32 4.996 -13.148 -5.111
218 HA HIS 32 HA HIS 32 5.942 -10.586 -6.251
219 1HB HIS 32 1HB HIS 32 7.290 -12.586 -5.222
220 2HB HIS 32 2HB HIS 32 7.081 -13.311 -6.815
221 HD1 HIS 32 HD1 HIS 32 7.414 -9.595 -6.626
222 HD2 HIS 32 HD2 HIS 32 9.892 -12.872 -7.331
223 HE1 HIS 32 HE1 HIS 32 9.575 -8.671 -7.559
224 H ILE 33 H ILE 33 4.744 -9.943 -7.974
225 HA ILE 33 HA ILE 33 3.223 -11.585 -9.723
226 HB ILE 33 HB ILE 33 4.452 -8.843 -10.129
227 1HG1 ILE 33 1HG1 ILE 33 1.923 -9.796 -8.754
228 2HG1 ILE 33 2HG1 ILE 33 3.231 -8.835 -8.063
229 1HG2 ILE 33 1HG2 ILE 33 1.788 -9.537 -11.227
230 2HG2 ILE 33 2HG2 ILE 33 3.153 -10.350 -11.993
231 3HG2 ILE 33 3HG2 ILE 33 3.090 -8.589 -11.944
232 1HD1 ILE 33 1HD1 ILE 33 0.887 -7.916 -9.433
233 2HD1 ILE 33 2HD1 ILE 33 2.306 -7.460 -10.375
234 3HD1 ILE 33 3HD1 ILE 33 2.168 -6.959 -8.690
235 HA PRO 34 HA PRO 34 6.881 -11.144 -12.794
236 1HB PRO 34 1HB PRO 34 9.380 -10.776 -11.746
237 2HB PRO 34 2HB PRO 34 8.314 -9.439 -12.222
238 1HG PRO 34 1HG PRO 34 8.898 -10.523 -9.523
239 2HG PRO 34 2HG PRO 34 8.616 -8.853 -10.034
240 1HD PRO 34 1HD PRO 34 6.756 -10.421 -8.780
241 2HD PRO 34 2HD PRO 34 6.354 -9.041 -9.822
242 H THR 35 H THR 35 8.553 -12.368 -9.845
243 HA THR 35 HA THR 35 9.244 -14.845 -11.278
244 HB THR 35 HB THR 35 9.778 -14.624 -8.405
245 HG1 THR 35 HG1 THR 35 11.187 -12.839 -10.017
246 1HG2 THR 35 1HG2 THR 35 11.280 -15.170 -10.944
247 2HG2 THR 35 2HG2 THR 35 11.066 -16.210 -9.538
248 3HG2 THR 35 3HG2 THR 35 12.162 -14.832 -9.455
249 H GLY 36 H GLY 36 6.990 -13.828 -8.755
250 1HA GLY 36 1HA GLY 36 4.957 -15.037 -8.264
251 2HA GLY 36 2HA GLY 36 5.681 -16.481 -8.969
252 H THR 37 H THR 37 7.934 -14.966 -7.000
253 HA THR 37 HA THR 37 7.837 -17.099 -5.027
254 HB THR 37 HB THR 37 9.353 -14.555 -4.622
255 HG1 THR 37 HG1 THR 37 10.830 -15.319 -6.253
256 1HG2 THR 37 1HG2 THR 37 10.041 -16.164 -3.112
257 2HG2 THR 37 2HG2 THR 37 11.162 -16.483 -4.435
258 3HG2 THR 37 3HG2 THR 37 9.732 -17.494 -4.228
259 H THR 38 H THR 38 7.365 -16.835 -2.768
260 HA THR 38 HA THR 38 5.673 -14.439 -2.127
261 HB THR 38 HB THR 38 4.835 -16.420 -0.438
262 HG1 THR 38 HG1 THR 38 5.263 -17.734 -2.887
263 1HG2 THR 38 1HG2 THR 38 3.032 -16.813 -2.190
264 2HG2 THR 38 2HG2 THR 38 3.959 -15.757 -3.255
265 3HG2 THR 38 3HG2 THR 38 3.302 -15.129 -1.744
266 H GLN 39 H GLN 39 5.885 -13.622 0.050
267 HA GLN 39 HA GLN 39 8.089 -14.781 1.697
268 1HB GLN 39 1HB GLN 39 7.827 -11.845 0.998
269 2HB GLN 39 2HB GLN 39 9.180 -12.635 1.810
270 1HG GLN 39 1HG GLN 39 9.660 -13.937 -0.216
271 2HG GLN 39 2HG GLN 39 8.286 -13.192 -1.035
272 1HE2 GLN 39 1HE2 GLN 39 11.546 -12.982 -1.000
273 2HE2 GLN 39 2HE2 GLN 39 11.753 -11.321 -1.282
274 H TRP 40 H TRP 40 7.943 -12.227 3.310
275 HA TRP 40 HA TRP 40 5.226 -12.539 4.529
276 1HB TRP 40 1HB TRP 40 7.009 -13.937 5.628
277 2HB TRP 40 2HB TRP 40 7.882 -12.451 5.991
278 HD1 TRP 40 HD1 TRP 40 7.367 -11.443 8.247
279 HE1 TRP 40 HE1 TRP 40 5.412 -11.554 9.927
280 HE3 TRP 40 HE3 TRP 40 4.108 -14.353 5.610
281 HZ2 TRP 40 HZ2 TRP 40 2.806 -12.725 10.121
282 HZ3 TRP 40 HZ3 TRP 40 1.898 -14.950 6.561
283 HH2 TRP 40 HH2 TRP 40 1.244 -14.141 8.812
284 H GLU 41 H GLU 41 8.282 -10.706 4.823
285 HA GLU 41 HA GLU 41 6.779 -8.262 5.566
286 1HB GLU 41 1HB GLU 41 9.707 -9.026 5.371
287 2HB GLU 41 2HB GLU 41 9.158 -7.423 5.860
288 1HG GLU 41 1HG GLU 41 7.630 -9.010 7.476
289 2HG GLU 41 2HG GLU 41 9.108 -9.967 7.360
290 HA PRO 42 HA PRO 42 7.043 -6.373 1.617
291 1HB PRO 42 1HB PRO 42 7.645 -3.778 2.246
292 2HB PRO 42 2HB PRO 42 6.050 -4.499 2.541
293 1HG PRO 42 1HG PRO 42 8.287 -4.012 4.441
294 2HG PRO 42 2HG PRO 42 6.542 -3.849 4.686
295 1HD PRO 42 1HD PRO 42 8.000 -5.979 5.576
296 2HD PRO 42 2HD PRO 42 6.271 -6.068 5.172
297 HA PRO 43 HA PRO 43 11.406 -6.613 0.750
298 1HB PRO 43 1HB PRO 43 11.195 -6.370 -1.967
299 2HB PRO 43 2HB PRO 43 10.828 -7.875 -1.100
300 1HG PRO 43 1HG PRO 43 8.976 -5.813 -2.180
301 2HG PRO 43 2HG PRO 43 8.806 -7.575 -2.138
302 1HD PRO 43 1HD PRO 43 7.546 -5.885 -0.397
303 2HD PRO 43 2HD PRO 43 7.957 -7.572 -0.017
304 H GLY 44 H GLY 44 12.723 -4.860 1.065
305 1HA GLY 44 1HA GLY 44 12.169 -2.384 -0.507
306 2HA GLY 44 2HA GLY 44 12.491 -2.278 1.224
307 H ARG 45 H ARG 45 13.931 -2.165 -1.803
308 HA ARG 45 HA ARG 45 16.602 -3.018 -0.763
309 1HB ARG 45 1HB ARG 45 15.977 -4.074 -2.818
310 2HB ARG 45 2HB ARG 45 15.403 -2.553 -3.504
311 1HG ARG 45 1HG ARG 45 17.677 -1.672 -3.561
312 2HG ARG 45 2HG ARG 45 18.287 -3.119 -2.759
313 1HD ARG 45 1HD ARG 45 17.837 -4.492 -4.656
314 2HD ARG 45 2HD ARG 45 16.809 -3.252 -5.402
315 HE ARG 45 HE ARG 45 19.486 -2.259 -4.881
316 1HH1 ARG 45 1HH1 ARG 45 19.890 -4.816 -6.440
317 2HH1 ARG 45 2HH1 ARG 45 19.843 -4.239 -8.073
318 1HH2 ARG 45 1HH2 ARG 45 18.401 -1.197 -7.237
319 2HH2 ARG 45 2HH2 ARG 45 19.000 -2.190 -8.525
320 H ALA 46 H ALA 46 14.719 -0.236 -1.577
321 HA ALA 46 HA ALA 46 17.116 1.499 -1.888
322 1HB ALA 46 1HB ALA 46 15.539 3.094 -2.717
323 2HB ALA 46 2HB ALA 46 14.186 2.257 -1.954
324 3HB ALA 46 3HB ALA 46 14.998 1.537 -3.345
325 H SER 47 H SER 47 17.643 3.088 -0.349
326 HA SER 47 HA SER 47 15.966 3.977 1.786
327 1HB SER 47 1HB SER 47 15.974 1.766 2.636
328 2HB SER 47 2HB SER 47 17.670 1.524 2.226
329 HG SER 47 HG SER 47 16.581 2.486 4.485
330 HA PRO 48 HA PRO 48 19.477 6.661 1.870
331 1HB PRO 48 1HB PRO 48 18.703 8.197 3.998
332 2HB PRO 48 2HB PRO 48 17.982 8.350 2.383
333 1HG PRO 48 1HG PRO 48 16.937 6.966 4.799
334 2HG PRO 48 2HG PRO 48 16.072 7.904 3.572
335 1HD PRO 48 1HD PRO 48 16.107 5.172 3.652
336 2HD PRO 48 2HD PRO 48 15.868 6.116 2.165
337 H SER 49 H SER 49 18.732 6.776 5.291
338 HA SER 49 HA SER 49 21.413 5.685 5.911
339 1HB SER 49 1HB SER 49 19.232 6.853 7.667
340 2HB SER 49 2HB SER 49 20.909 6.590 8.133
341 HG SER 49 HG SER 49 20.215 8.773 7.334
342 H GLN 50 H GLN 50 21.641 3.975 7.555
343 HA GLN 50 HA GLN 50 19.244 2.347 8.168
344 1HB GLN 50 1HB GLN 50 19.963 1.636 5.924
345 2HB GLN 50 2HB GLN 50 21.601 1.374 6.520
346 1HG GLN 50 1HG GLN 50 20.930 -0.450 7.885
347 2HG GLN 50 2HG GLN 50 19.223 -0.031 7.741
348 1HE2 GLN 50 1HE2 GLN 50 18.155 -0.477 5.649
349 2HE2 GLN 50 2HE2 GLN 50 18.829 -1.590 4.559
Start of MODEL 3
1 H ASP 1 H ASP 1 -26.637 -3.251 6.081
2 HA ASP 1 HA ASP 1 -26.299 -5.897 5.938
3 1HB ASP 1 1HB ASP 1 -28.853 -5.105 4.501
4 2HB ASP 1 2HB ASP 1 -28.015 -6.638 4.251
5 H SER 2 H SER 2 -26.462 -6.389 3.162
6 HA SER 2 HA SER 2 -25.427 -5.808 1.116
7 1HB SER 2 1HB SER 2 -26.951 -3.701 1.895
8 2HB SER 2 2HB SER 2 -25.366 -2.933 1.872
9 HG SER 2 HG SER 2 -25.223 -4.086 -0.283
10 H PHE 3 H PHE 3 -23.416 -6.794 1.920
11 HA PHE 3 HA PHE 3 -21.422 -4.988 3.167
12 1HB PHE 3 1HB PHE 3 -22.065 -7.624 3.456
13 2HB PHE 3 2HB PHE 3 -20.721 -7.741 2.322
14 HD1 PHE 3 HD1 PHE 3 -19.277 -5.194 3.259
15 HD2 PHE 3 HD2 PHE 3 -20.940 -8.534 5.389
16 HE1 PHE 3 HE1 PHE 3 -17.676 -4.809 5.113
17 HE2 PHE 3 HE2 PHE 3 -19.339 -8.147 7.243
18 HZ PHE 3 HZ PHE 3 -17.706 -6.286 7.106
19 H TRP 4 H TRP 4 -21.812 -6.937 0.195
20 HA TRP 4 HA TRP 4 -19.366 -6.418 -1.074
21 1HB TRP 4 1HB TRP 4 -21.160 -7.936 -1.852
22 2HB TRP 4 2HB TRP 4 -22.162 -6.542 -2.251
23 HD1 TRP 4 HD1 TRP 4 -22.132 -6.151 -4.748
24 HE1 TRP 4 HE1 TRP 4 -20.354 -6.224 -6.615
25 HE3 TRP 4 HE3 TRP 4 -18.080 -7.695 -2.050
26 HZ2 TRP 4 HZ2 TRP 4 -17.581 -6.854 -6.923
27 HZ3 TRP 4 HZ3 TRP 4 -15.886 -8.024 -3.154
28 HH2 TRP 4 HH2 TRP 4 -15.631 -7.605 -5.585
29 H ASN 5 H ASN 5 -18.444 -4.404 -1.274
30 HA ASN 5 HA ASN 5 -20.191 -2.165 -2.247
31 1HB ASN 5 1HB ASN 5 -18.395 -2.468 0.065
32 2HB ASN 5 2HB ASN 5 -18.101 -0.998 -0.865
33 1HD2 ASN 5 1HD2 ASN 5 -19.060 -0.296 1.488
34 2HD2 ASN 5 2HD2 ASN 5 -20.731 0.005 1.483
35 HA PRO 6 HA PRO 6 -17.228 -2.045 -5.521
36 1HB PRO 6 1HB PRO 6 -17.957 0.372 -6.579
37 2HB PRO 6 2HB PRO 6 -18.910 -1.110 -6.804
38 1HG PRO 6 1HG PRO 6 -19.352 1.159 -4.931
39 2HG PRO 6 2HG PRO 6 -20.529 0.199 -5.840
40 1HD PRO 6 1HD PRO 6 -20.005 -0.161 -3.182
41 2HD PRO 6 2HD PRO 6 -20.608 -1.444 -4.254
42 H ASN 7 H ASN 7 -17.591 0.545 -3.167
43 HA ASN 7 HA ASN 7 -15.001 1.773 -3.897
44 1HB ASN 7 1HB ASN 7 -17.156 2.310 -1.833
45 2HB ASN 7 2HB ASN 7 -15.698 3.289 -1.981
46 1HD2 ASN 7 1HD2 ASN 7 -18.759 3.690 -2.690
47 2HD2 ASN 7 2HD2 ASN 7 -18.684 4.390 -4.235
48 H ALA 8 H ALA 8 -14.839 -0.966 -2.990
49 HA ALA 8 HA ALA 8 -13.580 -0.620 -0.287
50 1HB ALA 8 1HB ALA 8 -15.611 -2.305 -1.168
51 2HB ALA 8 2HB ALA 8 -14.662 -2.525 0.303
52 3HB ALA 8 3HB ALA 8 -14.185 -3.343 -1.185
53 H PHE 9 H PHE 9 -12.550 -0.439 -3.262
54 HA PHE 9 HA PHE 9 -10.510 -2.589 -3.253
55 1HB PHE 9 1HB PHE 9 -11.620 -0.550 -5.133
56 2HB PHE 9 2HB PHE 9 -9.973 -1.107 -5.428
57 HD1 PHE 9 HD1 PHE 9 -13.345 -2.509 -4.551
58 HD2 PHE 9 HD2 PHE 9 -9.679 -3.013 -6.730
59 HE1 PHE 9 HE1 PHE 9 -14.228 -4.599 -5.553
60 HE2 PHE 9 HE2 PHE 9 -10.561 -5.103 -7.732
61 HZ PHE 9 HZ PHE 9 -12.835 -5.896 -7.143
62 H GLU 10 H GLU 10 -9.328 -1.779 -1.330
63 HA GLU 10 HA GLU 10 -8.145 0.882 -1.332
64 1HB GLU 10 1HB GLU 10 -7.553 -1.652 0.235
65 2HB GLU 10 2HB GLU 10 -6.990 -0.037 0.661
66 1HG GLU 10 1HG GLU 10 -9.376 0.711 0.778
67 2HG GLU 10 2HG GLU 10 -9.872 -0.959 0.505
68 H THR 11 H THR 11 -5.660 1.053 -1.159
69 HA THR 11 HA THR 11 -4.463 -0.388 -3.464
70 HB THR 11 HB THR 11 -3.030 1.699 -1.879
71 HG1 THR 11 HG1 THR 11 -4.943 2.694 -1.867
72 1HG2 THR 11 1HG2 THR 11 -3.355 0.858 -4.736
73 2HG2 THR 11 2HG2 THR 11 -1.878 1.156 -3.820
74 3HG2 THR 11 3HG2 THR 11 -2.853 2.512 -4.386
75 H ASP 12 H ASP 12 -1.806 -0.439 -2.824
76 HA ASP 12 HA ASP 12 -1.693 -2.576 -0.783
77 1HB ASP 12 1HB ASP 12 0.112 -1.435 -2.913
78 2HB ASP 12 2HB ASP 12 0.749 -2.554 -1.708
79 H SER 13 H SER 13 0.936 -2.229 0.121
80 HA SER 13 HA SER 13 0.632 0.177 1.869
81 1HB SER 13 1HB SER 13 2.643 -1.471 2.871
82 2HB SER 13 2HB SER 13 0.965 -1.457 3.403
83 HG SER 13 HG SER 13 0.528 -3.054 1.857
84 H ASP 14 H ASP 14 1.568 0.890 -0.594
85 HA ASP 14 HA ASP 14 3.386 1.945 -1.674
86 1HB ASP 14 1HB ASP 14 4.299 1.861 1.219
87 2HB ASP 14 2HB ASP 14 5.089 2.818 -0.035
88 H LEU 15 H LEU 15 3.436 -0.750 -2.126
89 HA LEU 15 HA LEU 15 6.014 -1.908 -1.298
90 1HB LEU 15 1HB LEU 15 3.604 -2.712 -2.907
91 2HB LEU 15 2HB LEU 15 5.081 -3.664 -3.041
92 HG LEU 15 HG LEU 15 3.587 -4.567 -1.289
93 1HD1 LEU 15 1HD1 LEU 15 5.553 -5.196 -0.392
94 2HD1 LEU 15 2HD1 LEU 15 5.488 -3.754 0.620
95 3HD1 LEU 15 3HD1 LEU 15 6.332 -3.709 -0.928
96 1HD2 LEU 15 1HD2 LEU 15 2.592 -2.307 -0.731
97 2HD2 LEU 15 2HD2 LEU 15 4.077 -1.944 0.150
98 3HD2 LEU 15 3HD2 LEU 15 3.042 -3.273 0.674
99 HA PRO 16 HA PRO 16 8.352 -0.782 -4.837
100 1HB PRO 16 1HB PRO 16 9.614 -3.113 -5.524
101 2HB PRO 16 2HB PRO 16 10.050 -2.163 -4.088
102 1HG PRO 16 1HG PRO 16 8.383 -4.620 -4.294
103 2HG PRO 16 2HG PRO 16 9.570 -4.163 -3.064
104 1HD PRO 16 1HD PRO 16 6.883 -3.948 -2.698
105 2HD PRO 16 2HD PRO 16 8.065 -2.888 -1.897
106 H ALA 17 H ALA 17 9.005 -2.328 -7.118
107 HA ALA 17 HA ALA 17 6.357 -2.402 -8.466
108 1HB ALA 17 1HB ALA 17 7.860 -1.092 -9.665
109 2HB ALA 17 2HB ALA 17 8.095 -2.651 -10.456
110 3HB ALA 17 3HB ALA 17 9.239 -2.101 -9.231
111 H GLY 18 H GLY 18 5.389 -4.348 -8.822
112 1HA GLY 18 1HA GLY 18 5.371 -6.580 -9.748
113 2HA GLY 18 2HA GLY 18 7.086 -6.723 -9.374
114 H TRP 19 H TRP 19 5.414 -5.331 -6.778
115 HA TRP 19 HA TRP 19 5.209 -8.013 -5.452
116 1HB TRP 19 1HB TRP 19 6.324 -5.347 -4.639
117 2HB TRP 19 2HB TRP 19 5.691 -6.424 -3.396
118 HD1 TRP 19 HD1 TRP 19 8.636 -5.892 -5.632
119 HE1 TRP 19 HE1 TRP 19 10.357 -7.779 -5.288
120 HE3 TRP 19 HE3 TRP 19 5.854 -9.125 -2.822
121 HZ2 TRP 19 HZ2 TRP 19 10.532 -10.324 -3.995
122 HZ3 TRP 19 HZ3 TRP 19 6.823 -11.274 -2.053
123 HH2 TRP 19 HH2 TRP 19 9.155 -11.875 -2.635
124 H MET 20 H MET 20 3.287 -8.415 -4.359
125 HA MET 20 HA MET 20 1.250 -6.210 -4.329
126 1HB MET 20 1HB MET 20 0.873 -9.208 -4.623
127 2HB MET 20 2HB MET 20 -0.379 -7.978 -4.785
128 1HG MET 20 1HG MET 20 2.094 -8.056 -6.527
129 2HG MET 20 2HG MET 20 0.574 -8.829 -6.977
130 1HE MET 20 1HE MET 20 -1.914 -6.255 -7.640
131 2HE MET 20 2HE MET 20 -1.745 -6.631 -5.928
132 3HE MET 20 3HE MET 20 -1.508 -7.898 -7.129
133 H ARG 21 H ARG 21 -0.503 -6.666 -2.640
134 HA ARG 21 HA ARG 21 0.714 -7.848 -0.162
135 1HB ARG 21 1HB ARG 21 0.607 -5.485 0.103
136 2HB ARG 21 2HB ARG 21 -0.970 -5.391 -0.682
137 1HG ARG 21 1HG ARG 21 -2.047 -6.473 1.187
138 2HG ARG 21 2HG ARG 21 -0.491 -6.835 1.937
139 1HD ARG 21 1HD ARG 21 -0.154 -4.634 2.620
140 2HD ARG 21 2HD ARG 21 -1.172 -3.971 1.327
141 HE ARG 21 HE ARG 21 -2.725 -5.671 3.064
142 1HH1 ARG 21 1HH1 ARG 21 -2.051 -2.507 2.104
143 2HH1 ARG 21 2HH1 ARG 21 -2.797 -1.754 3.473
144 1HH2 ARG 21 1HH2 ARG 21 -3.342 -4.738 5.152
145 2HH2 ARG 21 2HH2 ARG 21 -3.526 -3.016 5.199
146 H VAL 22 H VAL 22 -0.357 -9.794 0.127
147 HA VAL 22 HA VAL 22 -3.306 -9.863 -0.417
148 HB VAL 22 HB VAL 22 -1.374 -12.170 -0.134
149 1HG1 VAL 22 1HG1 VAL 22 -3.181 -13.110 -1.776
150 2HG1 VAL 22 2HG1 VAL 22 -4.173 -11.787 -1.163
151 3HG1 VAL 22 3HG1 VAL 22 -3.556 -13.013 -0.056
152 1HG2 VAL 22 1HG2 VAL 22 -0.447 -11.606 -2.110
153 2HG2 VAL 22 2HG2 VAL 22 -1.454 -10.161 -2.181
154 3HG2 VAL 22 3HG2 VAL 22 -2.040 -11.678 -2.863
155 H GLN 23 H GLN 23 -4.563 -11.266 1.078
156 HA GLN 23 HA GLN 23 -3.435 -11.259 3.861
157 1HB GLN 23 1HB GLN 23 -5.229 -9.572 3.290
158 2HB GLN 23 2HB GLN 23 -6.315 -10.924 2.969
159 1HG GLN 23 1HG GLN 23 -6.256 -11.651 5.229
160 2HG GLN 23 2HG GLN 23 -4.849 -10.651 5.594
161 1HE2 GLN 23 1HE2 GLN 23 -5.228 -8.213 5.478
162 2HE2 GLN 23 2HE2 GLN 23 -6.768 -7.623 5.879
163 H ASP 24 H ASP 24 -2.769 -13.497 3.713
164 HA ASP 24 HA ASP 24 -4.800 -15.526 3.002
165 1HB ASP 24 1HB ASP 24 -1.970 -15.234 2.964
166 2HB ASP 24 2HB ASP 24 -2.355 -16.606 4.000
167 H THR 25 H THR 25 -4.374 -17.591 4.644
168 HA THR 25 HA THR 25 -5.711 -16.892 7.094
169 HB THR 25 HB THR 25 -5.286 -19.297 7.590
170 HG1 THR 25 HG1 THR 25 -3.140 -19.206 6.613
171 1HG2 THR 25 1HG2 THR 25 -5.889 -19.669 4.800
172 2HG2 THR 25 2HG2 THR 25 -6.669 -18.197 5.377
173 3HG2 THR 25 3HG2 THR 25 -6.981 -19.735 6.182
174 H SER 26 H SER 26 -2.313 -17.442 6.256
175 HA SER 26 HA SER 26 -1.341 -17.492 8.990
176 1HB SER 26 1HB SER 26 -0.359 -17.630 6.245
177 2HB SER 26 2HB SER 26 0.722 -16.697 7.277
178 HG SER 26 HG SER 26 0.995 -19.079 7.202
179 H GLY 27 H GLY 27 -2.279 -14.967 6.806
180 1HA GLY 27 1HA GLY 27 -2.556 -12.799 8.258
181 2HA GLY 27 2HA GLY 27 -0.803 -12.933 8.405
182 H THR 28 H THR 28 -1.159 -10.686 7.314
183 HA THR 28 HA THR 28 -1.724 -10.788 4.427
184 HB THR 28 HB THR 28 -0.804 -8.625 6.344
185 HG1 THR 28 HG1 THR 28 -2.944 -9.489 6.579
186 1HG2 THR 28 1HG2 THR 28 -0.457 -7.274 4.583
187 2HG2 THR 28 2HG2 THR 28 -2.055 -7.650 3.941
188 3HG2 THR 28 3HG2 THR 28 -0.673 -8.662 3.518
189 H TYR 29 H TYR 29 -0.117 -11.575 3.102
190 HA TYR 29 HA TYR 29 2.723 -10.930 3.822
191 1HB TYR 29 1HB TYR 29 3.263 -12.991 2.630
192 2HB TYR 29 2HB TYR 29 2.004 -13.327 3.813
193 HD1 TYR 29 HD1 TYR 29 -0.356 -13.627 3.088
194 HD2 TYR 29 HD2 TYR 29 2.835 -13.102 0.263
195 HE1 TYR 29 HE1 TYR 29 -1.827 -14.457 1.270
196 HE2 TYR 29 HE2 TYR 29 1.366 -13.930 -1.555
197 HH TYR 29 HH TYR 29 -0.826 -14.342 -2.099
198 H TYR 30 H TYR 30 3.726 -11.691 1.229
199 HA TYR 30 HA TYR 30 2.559 -9.545 -0.513
200 1HB TYR 30 1HB TYR 30 5.454 -10.240 0.068
201 2HB TYR 30 2HB TYR 30 4.937 -9.053 -1.130
202 HD1 TYR 30 HD1 TYR 30 3.059 -7.348 -0.138
203 HD2 TYR 30 HD2 TYR 30 6.071 -9.393 2.140
204 HE1 TYR 30 HE1 TYR 30 2.884 -5.626 1.639
205 HE2 TYR 30 HE2 TYR 30 5.897 -7.672 3.917
206 HH TYR 30 HH TYR 30 5.014 -4.967 3.772
207 H TRP 31 H TRP 31 2.422 -10.072 -2.706
208 HA TRP 31 HA TRP 31 3.254 -12.854 -3.451
209 1HB TRP 31 1HB TRP 31 0.911 -12.677 -3.568
210 2HB TRP 31 2HB TRP 31 0.972 -11.024 -4.173
211 HD1 TRP 31 HD1 TRP 31 3.194 -13.680 -5.735
212 HE1 TRP 31 HE1 TRP 31 2.395 -14.133 -8.145
213 HE3 TRP 31 HE3 TRP 31 -1.151 -11.000 -5.739
214 HZ2 TRP 31 HZ2 TRP 31 0.200 -13.446 -9.849
215 HZ3 TRP 31 HZ3 TRP 31 -2.576 -10.915 -7.765
216 HH2 TRP 31 HH2 TRP 31 -1.907 -12.133 -9.818
217 H HIS 32 H HIS 32 4.847 -12.986 -4.969
218 HA HIS 32 HA HIS 32 5.838 -10.553 -6.279
219 1HB HIS 32 1HB HIS 32 7.060 -12.648 -5.215
220 2HB HIS 32 2HB HIS 32 6.821 -13.343 -6.817
221 HD1 HIS 32 HD1 HIS 32 7.405 -9.653 -6.485
222 HD2 HIS 32 HD2 HIS 32 9.610 -13.068 -7.403
223 HE1 HIS 32 HE1 HIS 32 9.611 -8.848 -7.428
224 H ILE 33 H ILE 33 4.673 -9.901 -8.037
225 HA ILE 33 HA ILE 33 3.046 -11.551 -9.699
226 HB ILE 33 HB ILE 33 4.346 -8.844 -10.121
227 1HG1 ILE 33 1HG1 ILE 33 1.621 -9.675 -9.060
228 2HG1 ILE 33 2HG1 ILE 33 2.933 -8.973 -8.112
229 1HG2 ILE 33 1HG2 ILE 33 2.277 -10.398 -11.652
230 2HG2 ILE 33 2HG2 ILE 33 3.607 -9.414 -12.263
231 3HG2 ILE 33 3HG2 ILE 33 2.171 -8.639 -11.592
232 1HD1 ILE 33 1HD1 ILE 33 2.332 -7.358 -10.459
233 2HD1 ILE 33 2HD1 ILE 33 2.396 -6.882 -8.762
234 3HD1 ILE 33 3HD1 ILE 33 0.914 -7.563 -9.431
235 HA PRO 34 HA PRO 34 6.696 -11.370 -12.805
236 1HB PRO 34 1HB PRO 34 9.214 -11.056 -11.784
237 2HB PRO 34 2HB PRO 34 8.198 -9.701 -12.310
238 1HG PRO 34 1HG PRO 34 8.777 -10.681 -9.574
239 2HG PRO 34 2HG PRO 34 8.520 -9.031 -10.153
240 1HD PRO 34 1HD PRO 34 6.646 -10.530 -8.815
241 2HD PRO 34 2HD PRO 34 6.265 -9.155 -9.872
242 H THR 35 H THR 35 8.332 -12.543 -9.814
243 HA THR 35 HA THR 35 8.936 -15.095 -11.152
244 HB THR 35 HB THR 35 9.451 -14.708 -8.280
245 HG1 THR 35 HG1 THR 35 11.120 -13.177 -8.824
246 1HG2 THR 35 1HG2 THR 35 10.393 -16.428 -10.051
247 2HG2 THR 35 2HG2 THR 35 11.434 -15.799 -8.774
248 3HG2 THR 35 3HG2 THR 35 11.520 -15.116 -10.397
249 H GLY 36 H GLY 36 6.643 -13.889 -8.777
250 1HA GLY 36 1HA GLY 36 4.603 -15.020 -8.199
251 2HA GLY 36 2HA GLY 36 5.278 -16.513 -8.849
252 H THR 37 H THR 37 7.681 -15.189 -7.023
253 HA THR 37 HA THR 37 7.486 -17.172 -4.945
254 HB THR 37 HB THR 37 9.074 -14.640 -4.706
255 HG1 THR 37 HG1 THR 37 10.154 -15.036 -6.467
256 1HG2 THR 37 1HG2 THR 37 10.750 -16.119 -3.833
257 2HG2 THR 37 2HG2 THR 37 9.868 -17.539 -4.398
258 3HG2 THR 37 3HG2 THR 37 9.218 -16.563 -3.081
259 H THR 38 H THR 38 7.101 -16.788 -2.669
260 HA THR 38 HA THR 38 5.451 -14.340 -2.108
261 HB THR 38 HB THR 38 4.751 -16.356 -0.294
262 HG1 THR 38 HG1 THR 38 4.256 -18.046 -1.892
263 1HG2 THR 38 1HG2 THR 38 2.645 -16.127 -1.246
264 2HG2 THR 38 2HG2 THR 38 3.285 -16.030 -2.886
265 3HG2 THR 38 3HG2 THR 38 3.425 -14.645 -1.802
266 H GLN 39 H GLN 39 5.720 -13.433 0.035
267 HA GLN 39 HA GLN 39 7.963 -14.532 1.674
268 1HB GLN 39 1HB GLN 39 7.702 -11.824 0.368
269 2HB GLN 39 2HB GLN 39 8.708 -12.042 1.800
270 1HG GLN 39 1HG GLN 39 9.781 -14.009 0.517
271 2HG GLN 39 2HG GLN 39 9.017 -13.321 -0.916
272 1HE2 GLN 39 1HE2 GLN 39 11.970 -13.421 0.204
273 2HE2 GLN 39 2HE2 GLN 39 12.499 -11.823 -0.013
274 H TRP 40 H TRP 40 8.087 -12.615 3.621
275 HA TRP 40 HA TRP 40 5.267 -12.188 4.543
276 1HB TRP 40 1HB TRP 40 7.577 -13.514 5.995
277 2HB TRP 40 2HB TRP 40 6.077 -13.031 6.787
278 HD1 TRP 40 HD1 TRP 40 7.580 -15.701 4.627
279 HE1 TRP 40 HE1 TRP 40 5.811 -17.508 4.118
280 HE3 TRP 40 HE3 TRP 40 3.393 -13.352 6.368
281 HZ2 TRP 40 HZ2 TRP 40 2.992 -17.903 4.411
282 HZ3 TRP 40 HZ3 TRP 40 1.183 -14.464 6.241
283 HH2 TRP 40 HH2 TRP 40 0.976 -16.734 5.266
284 H GLU 41 H GLU 41 8.220 -10.792 3.903
285 HA GLU 41 HA GLU 41 7.848 -8.721 6.044
286 1HB GLU 41 1HB GLU 41 10.332 -9.693 4.598
287 2HB GLU 41 2HB GLU 41 10.309 -8.390 5.786
288 1HG GLU 41 1HG GLU 41 8.974 -10.422 7.099
289 2HG GLU 41 2HG GLU 41 10.220 -11.292 6.204
290 HA PRO 42 HA PRO 42 7.382 -5.734 2.865
291 1HB PRO 42 1HB PRO 42 8.576 -3.550 3.998
292 2HB PRO 42 2HB PRO 42 7.012 -4.186 4.544
293 1HG PRO 42 1HG PRO 42 9.711 -4.514 5.744
294 2HG PRO 42 2HG PRO 42 8.138 -4.326 6.534
295 1HD PRO 42 1HD PRO 42 9.448 -6.723 6.251
296 2HD PRO 42 2HD PRO 42 7.689 -6.560 6.448
297 HA PRO 43 HA PRO 43 11.386 -6.199 0.868
298 1HB PRO 43 1HB PRO 43 10.470 -5.673 -1.657
299 2HB PRO 43 2HB PRO 43 10.281 -7.253 -0.870
300 1HG PRO 43 1HG PRO 43 8.302 -5.059 -1.211
301 2HG PRO 43 2HG PRO 43 8.070 -6.811 -1.292
302 1HD PRO 43 1HD PRO 43 7.397 -5.286 0.875
303 2HD PRO 43 2HD PRO 43 7.814 -7.011 0.969
304 H GLY 44 H GLY 44 12.442 -4.309 1.637
305 1HA GLY 44 1HA GLY 44 11.703 -1.742 0.299
306 2HA GLY 44 2HA GLY 44 12.544 -1.852 1.847
307 H ARG 45 H ARG 45 12.925 -1.791 -1.584
308 HA ARG 45 HA ARG 45 15.866 -2.294 -1.288
309 1HB ARG 45 1HB ARG 45 13.795 -2.793 -3.392
310 2HB ARG 45 2HB ARG 45 15.456 -2.507 -3.913
311 1HG ARG 45 1HG ARG 45 16.277 -4.369 -2.685
312 2HG ARG 45 2HG ARG 45 14.784 -4.512 -1.756
313 1HD ARG 45 1HD ARG 45 13.579 -5.388 -3.604
314 2HD ARG 45 2HD ARG 45 14.805 -4.843 -4.765
315 HE ARG 45 HE ARG 45 16.152 -6.530 -2.967
316 1HH1 ARG 45 1HH1 ARG 45 13.078 -7.305 -3.918
317 2HH1 ARG 45 2HH1 ARG 45 13.502 -8.706 -4.842
318 1HH2 ARG 45 1HH2 ARG 45 16.911 -8.086 -4.716
319 2HH2 ARG 45 2HH2 ARG 45 15.671 -9.149 -5.295
320 H ALA 46 H ALA 46 17.224 -0.586 -1.734
321 HA ALA 46 HA ALA 46 16.238 1.674 -3.392
322 1HB ALA 46 1HB ALA 46 15.671 1.988 -0.929
323 2HB ALA 46 2HB ALA 46 16.644 3.275 -1.641
324 3HB ALA 46 3HB ALA 46 17.407 2.053 -0.624
325 H SER 47 H SER 47 18.910 0.189 -1.589
326 HA SER 47 HA SER 47 20.988 1.792 -2.835
327 1HB SER 47 1HB SER 47 20.698 -0.009 -0.713
328 2HB SER 47 2HB SER 47 21.775 -0.833 -1.836
329 HG SER 47 HG SER 47 22.211 1.348 -0.263
330 HA PRO 48 HA PRO 48 21.617 -2.103 -5.531
331 1HB PRO 48 1HB PRO 48 19.739 -4.087 -5.407
332 2HB PRO 48 2HB PRO 48 21.151 -4.028 -4.335
333 1HG PRO 48 1HG PRO 48 18.329 -3.287 -3.789
334 2HG PRO 48 2HG PRO 48 19.528 -4.037 -2.725
335 1HD PRO 48 1HD PRO 48 18.817 -1.383 -2.643
336 2HD PRO 48 2HD PRO 48 20.360 -2.030 -2.046
337 H SER 49 H SER 49 21.080 -1.670 -7.646
338 HA SER 49 HA SER 49 19.784 -1.073 -9.531
339 1HB SER 49 1HB SER 49 17.371 -2.051 -8.039
340 2HB SER 49 2HB SER 49 17.819 -2.319 -9.721
341 HG SER 49 HG SER 49 19.038 -3.957 -9.139
342 H GLN 50 H GLN 50 20.159 0.897 -7.381
343 HA GLN 50 HA GLN 50 17.798 2.285 -6.640
344 1HB GLN 50 1HB GLN 50 20.311 2.554 -6.001
345 2HB GLN 50 2HB GLN 50 20.391 3.630 -7.397
346 1HG GLN 50 1HG GLN 50 18.080 4.144 -5.658
347 2HG GLN 50 2HG GLN 50 19.633 4.395 -4.859
348 1HE2 GLN 50 1HE2 GLN 50 21.197 5.893 -6.005
349 2HE2 GLN 50 2HE2 GLN 50 20.571 7.133 -6.981
Start of MODEL 4
1 H ASP 1 H ASP 1 -19.050 -2.425 -7.202
2 HA ASP 1 HA ASP 1 -19.470 -3.396 -9.917
3 1HB ASP 1 1HB ASP 1 -20.851 -2.034 -7.640
4 2HB ASP 1 2HB ASP 1 -21.520 -1.814 -9.257
5 H SER 2 H SER 2 -20.281 -0.188 -8.738
6 HA SER 2 HA SER 2 -18.738 0.978 -11.030
7 1HB SER 2 1HB SER 2 -21.372 1.551 -9.703
8 2HB SER 2 2HB SER 2 -20.537 2.849 -10.551
9 HG SER 2 HG SER 2 -22.070 1.382 -11.752
10 H PHE 3 H PHE 3 -19.238 1.036 -7.581
11 HA PHE 3 HA PHE 3 -17.741 3.584 -7.267
12 1HB PHE 3 1HB PHE 3 -19.710 2.020 -5.826
13 2HB PHE 3 2HB PHE 3 -18.338 2.391 -4.779
14 HD1 PHE 3 HD1 PHE 3 -21.422 3.591 -5.917
15 HD2 PHE 3 HD2 PHE 3 -17.418 4.908 -5.095
16 HE1 PHE 3 HE1 PHE 3 -22.239 5.920 -5.670
17 HE2 PHE 3 HE2 PHE 3 -18.234 7.238 -4.848
18 HZ PHE 3 HZ PHE 3 -20.645 7.743 -5.135
19 H TRP 4 H TRP 4 -15.628 2.806 -7.959
20 HA TRP 4 HA TRP 4 -14.256 0.510 -7.142
21 1HB TRP 4 1HB TRP 4 -13.424 2.127 -8.770
22 2HB TRP 4 2HB TRP 4 -13.297 3.365 -7.521
23 HD1 TRP 4 HD1 TRP 4 -11.544 2.754 -5.454
24 HE1 TRP 4 HE1 TRP 4 -9.256 1.575 -5.591
25 HE3 TRP 4 HE3 TRP 4 -12.003 0.461 -9.995
26 HZ2 TRP 4 HZ2 TRP 4 -7.811 -0.116 -7.388
27 HZ3 TRP 4 HZ3 TRP 4 -10.158 -0.926 -10.894
28 HH2 TRP 4 HH2 TRP 4 -8.063 -1.217 -9.598
29 H ASN 5 H ASN 5 -13.169 -0.101 -5.255
30 HA ASN 5 HA ASN 5 -13.943 0.704 -2.719
31 1HB ASN 5 1HB ASN 5 -11.257 -0.267 -3.740
32 2HB ASN 5 2HB ASN 5 -11.715 -0.259 -2.038
33 1HD2 ASN 5 1HD2 ASN 5 -11.144 -2.693 -3.528
34 2HD2 ASN 5 2HD2 ASN 5 -12.578 -3.599 -3.592
35 HA PRO 6 HA PRO 6 -12.186 4.853 -2.852
36 1HB PRO 6 1HB PRO 6 -13.568 5.762 -0.672
37 2HB PRO 6 2HB PRO 6 -14.278 5.665 -2.296
38 1HG PRO 6 1HG PRO 6 -14.599 3.830 0.024
39 2HG PRO 6 2HG PRO 6 -15.789 4.347 -1.181
40 1HD PRO 6 1HD PRO 6 -14.532 1.919 -1.229
41 2HD PRO 6 2HD PRO 6 -15.168 2.733 -2.676
42 H ASN 7 H ASN 7 -12.903 4.436 0.553
43 HA ASN 7 HA ASN 7 -10.067 4.759 1.237
44 1HB ASN 7 1HB ASN 7 -12.734 4.781 2.556
45 2HB ASN 7 2HB ASN 7 -11.362 4.355 3.581
46 1HD2 ASN 7 1HD2 ASN 7 -12.489 6.898 1.304
47 2HD2 ASN 7 2HD2 ASN 7 -11.576 8.145 2.006
48 H ALA 8 H ALA 8 -12.443 2.428 2.548
49 HA ALA 8 HA ALA 8 -12.088 0.202 3.289
50 1HB ALA 8 1HB ALA 8 -12.401 -0.147 0.934
51 2HB ALA 8 2HB ALA 8 -11.011 -1.131 1.392
52 3HB ALA 8 3HB ALA 8 -10.768 0.411 0.571
53 H PHE 9 H PHE 9 -10.006 -1.553 3.083
54 HA PHE 9 HA PHE 9 -8.024 -0.433 4.903
55 1HB PHE 9 1HB PHE 9 -8.248 -3.087 3.445
56 2HB PHE 9 2HB PHE 9 -7.159 -2.759 4.792
57 HD1 PHE 9 HD1 PHE 9 -8.436 -1.545 6.869
58 HD2 PHE 9 HD2 PHE 9 -10.238 -4.163 3.980
59 HE1 PHE 9 HE1 PHE 9 -10.260 -2.058 8.471
60 HE2 PHE 9 HE2 PHE 9 -12.060 -4.677 5.581
61 HZ PHE 9 HZ PHE 9 -12.072 -3.625 7.827
62 H GLU 10 H GLU 10 -6.719 1.101 3.825
63 HA GLU 10 HA GLU 10 -5.764 1.019 1.175
64 1HB GLU 10 1HB GLU 10 -5.278 2.411 3.657
65 2HB GLU 10 2HB GLU 10 -3.742 2.099 2.847
66 1HG GLU 10 1HG GLU 10 -4.807 4.259 2.149
67 2HG GLU 10 2HG GLU 10 -4.542 3.146 0.807
68 H THR 11 H THR 11 -3.121 0.880 0.942
69 HA THR 11 HA THR 11 -2.440 -1.918 1.765
70 HB THR 11 HB THR 11 -1.006 -0.393 -0.377
71 HG1 THR 11 HG1 THR 11 -2.665 -0.557 -1.750
72 1HG2 THR 11 1HG2 THR 11 -1.639 -3.196 0.357
73 2HG2 THR 11 2HG2 THR 11 -0.186 -2.525 -0.385
74 3HG2 THR 11 3HG2 THR 11 -1.616 -2.838 -1.369
75 H ASP 12 H ASP 12 0.270 -1.907 1.415
76 HA ASP 12 HA ASP 12 1.303 -0.762 3.807
77 1HB ASP 12 1HB ASP 12 2.099 -2.508 1.795
78 2HB ASP 12 2HB ASP 12 3.236 -1.168 1.640
79 H SER 13 H SER 13 3.613 0.592 3.206
80 HA SER 13 HA SER 13 2.694 3.272 2.679
81 1HB SER 13 1HB SER 13 4.869 3.828 3.307
82 2HB SER 13 2HB SER 13 4.723 2.226 4.025
83 HG SER 13 HG SER 13 6.030 1.429 2.542
84 H ASP 14 H ASP 14 4.720 1.016 0.798
85 HA ASP 14 HA ASP 14 3.682 1.651 -1.751
86 1HB ASP 14 1HB ASP 14 5.392 3.676 -0.530
87 2HB ASP 14 2HB ASP 14 6.031 3.139 -2.085
88 H LEU 15 H LEU 15 4.254 -0.679 -1.738
89 HA LEU 15 HA LEU 15 6.964 -1.622 -1.506
90 1HB LEU 15 1HB LEU 15 4.366 -2.622 -2.658
91 2HB LEU 15 2HB LEU 15 5.842 -3.559 -2.876
92 HG LEU 15 HG LEU 15 4.720 -4.345 -0.870
93 1HD1 LEU 15 1HD1 LEU 15 7.318 -3.757 -0.986
94 2HD1 LEU 15 2HD1 LEU 15 6.580 -4.349 0.503
95 3HD1 LEU 15 3HD1 LEU 15 6.873 -2.622 0.290
96 1HD2 LEU 15 1HD2 LEU 15 4.047 -2.913 0.908
97 2HD2 LEU 15 2HD2 LEU 15 3.522 -2.085 -0.558
98 3HD2 LEU 15 3HD2 LEU 15 4.984 -1.558 0.276
99 HA PRO 16 HA PRO 16 8.655 -0.742 -5.457
100 1HB PRO 16 1HB PRO 16 9.866 -3.099 -6.164
101 2HB PRO 16 2HB PRO 16 10.502 -2.020 -4.905
102 1HG PRO 16 1HG PRO 16 8.906 -4.518 -4.624
103 2HG PRO 16 2HG PRO 16 10.273 -3.939 -3.660
104 1HD PRO 16 1HD PRO 16 7.691 -3.740 -2.839
105 2HD PRO 16 2HD PRO 16 8.953 -2.582 -2.362
106 H ALA 17 H ALA 17 8.742 -1.734 -7.833
107 HA ALA 17 HA ALA 17 5.978 -2.317 -8.589
108 1HB ALA 17 1HB ALA 17 8.603 -2.025 -10.073
109 2HB ALA 17 2HB ALA 17 7.327 -0.818 -9.915
110 3HB ALA 17 3HB ALA 17 7.056 -2.266 -10.885
111 H GLY 18 H GLY 18 5.156 -4.358 -8.712
112 1HA GLY 18 1HA GLY 18 5.288 -6.580 -9.776
113 2HA GLY 18 2HA GLY 18 7.014 -6.587 -9.424
114 H TRP 19 H TRP 19 5.415 -5.268 -6.789
115 HA TRP 19 HA TRP 19 5.310 -7.952 -5.451
116 1HB TRP 19 1HB TRP 19 6.456 -5.283 -4.722
117 2HB TRP 19 2HB TRP 19 5.850 -6.313 -3.426
118 HD1 TRP 19 HD1 TRP 19 8.706 -5.915 -5.818
119 HE1 TRP 19 HE1 TRP 19 10.417 -7.808 -5.462
120 HE3 TRP 19 HE3 TRP 19 6.017 -8.968 -2.728
121 HZ2 TRP 19 HZ2 TRP 19 10.619 -10.291 -4.059
122 HZ3 TRP 19 HZ3 TRP 19 6.994 -11.093 -1.902
123 HH2 TRP 19 HH2 TRP 19 9.289 -11.756 -2.564
124 H MET 20 H MET 20 3.416 -8.406 -4.362
125 HA MET 20 HA MET 20 1.382 -6.210 -4.159
126 1HB MET 20 1HB MET 20 0.942 -9.186 -4.515
127 2HB MET 20 2HB MET 20 -0.259 -7.910 -4.686
128 1HG MET 20 1HG MET 20 2.210 -8.179 -6.422
129 2HG MET 20 2HG MET 20 0.599 -8.726 -6.885
130 1HE MET 20 1HE MET 20 -1.519 -5.706 -6.358
131 2HE MET 20 2HE MET 20 -1.324 -7.457 -6.381
132 3HE MET 20 3HE MET 20 -1.400 -6.566 -7.900
133 H ARG 21 H ARG 21 -0.241 -6.609 -2.407
134 HA ARG 21 HA ARG 21 0.984 -7.999 -0.044
135 1HB ARG 21 1HB ARG 21 0.965 -5.484 -0.027
136 2HB ARG 21 2HB ARG 21 -0.795 -5.539 -0.132
137 1HG ARG 21 1HG ARG 21 -0.994 -6.585 1.997
138 2HG ARG 21 2HG ARG 21 0.727 -6.971 2.051
139 1HD ARG 21 1HD ARG 21 1.073 -4.381 1.912
140 2HD ARG 21 2HD ARG 21 -0.615 -4.303 2.456
141 HE ARG 21 HE ARG 21 0.934 -6.199 4.016
142 1HH1 ARG 21 1HH1 ARG 21 0.209 -2.858 3.524
143 2HH1 ARG 21 2HH1 ARG 21 0.513 -2.418 5.171
144 1HH2 ARG 21 1HH2 ARG 21 1.309 -5.640 6.170
145 2HH2 ARG 21 2HH2 ARG 21 1.134 -3.990 6.667
146 H VAL 22 H VAL 22 -0.243 -9.831 0.341
147 HA VAL 22 HA VAL 22 -3.204 -9.638 -0.108
148 HB VAL 22 HB VAL 22 -1.488 -12.124 -0.055
149 1HG1 VAL 22 1HG1 VAL 22 -3.828 -12.601 0.145
150 2HG1 VAL 22 2HG1 VAL 22 -3.393 -12.923 -1.534
151 3HG1 VAL 22 3HG1 VAL 22 -4.236 -11.432 -1.112
152 1HG2 VAL 22 1HG2 VAL 22 -1.559 -9.993 -2.024
153 2HG2 VAL 22 2HG2 VAL 22 -2.158 -11.500 -2.718
154 3HG2 VAL 22 3HG2 VAL 22 -0.551 -11.440 -1.994
155 H GLN 23 H GLN 23 -4.517 -10.954 1.385
156 HA GLN 23 HA GLN 23 -3.265 -11.239 4.093
157 1HB GLN 23 1HB GLN 23 -5.749 -10.766 4.754
158 2HB GLN 23 2HB GLN 23 -4.755 -9.416 4.215
159 1HG GLN 23 1HG GLN 23 -5.679 -9.606 1.955
160 2HG GLN 23 2HG GLN 23 -6.622 -11.017 2.438
161 1HE2 GLN 23 1HE2 GLN 23 -6.082 -7.854 4.092
162 2HE2 GLN 23 2HE2 GLN 23 -7.732 -7.486 4.240
163 H ASP 24 H ASP 24 -2.914 -13.500 4.060
164 HA ASP 24 HA ASP 24 -5.219 -15.240 3.307
165 1HB ASP 24 1HB ASP 24 -2.394 -15.271 2.936
166 2HB ASP 24 2HB ASP 24 -2.827 -16.668 3.919
167 H THR 25 H THR 25 -5.000 -17.425 4.754
168 HA THR 25 HA THR 25 -6.006 -16.882 7.320
169 HB THR 25 HB THR 25 -5.220 -19.303 7.725
170 HG1 THR 25 HG1 THR 25 -4.552 -20.233 5.627
171 1HG2 THR 25 1HG2 THR 25 -6.820 -20.194 6.099
172 2HG2 THR 25 2HG2 THR 25 -6.736 -18.697 5.172
173 3HG2 THR 25 3HG2 THR 25 -7.437 -18.694 6.790
174 H SER 26 H SER 26 -2.733 -18.244 6.763
175 HA SER 26 HA SER 26 -1.602 -17.926 9.251
176 1HB SER 26 1HB SER 26 -0.706 -17.901 6.451
177 2HB SER 26 2HB SER 26 0.416 -17.109 7.553
178 HG SER 26 HG SER 26 0.691 -19.432 7.304
179 H GLY 27 H GLY 27 -1.639 -15.387 6.738
180 1HA GLY 27 1HA GLY 27 -2.289 -13.216 8.369
181 2HA GLY 27 2HA GLY 27 -0.535 -13.371 8.493
182 H THR 28 H THR 28 -0.840 -11.126 7.419
183 HA THR 28 HA THR 28 -1.480 -11.179 4.548
184 HB THR 28 HB THR 28 -0.228 -8.964 6.183
185 HG1 THR 28 HG1 THR 28 -2.936 -9.779 6.001
186 1HG2 THR 28 1HG2 THR 28 -1.050 -7.533 4.549
187 2HG2 THR 28 2HG2 THR 28 -2.328 -8.649 4.068
188 3HG2 THR 28 3HG2 THR 28 -0.661 -8.954 3.580
189 H TYR 29 H TYR 29 0.037 -11.851 3.087
190 HA TYR 29 HA TYR 29 2.930 -11.459 3.778
191 1HB TYR 29 1HB TYR 29 3.303 -13.429 2.385
192 2HB TYR 29 2HB TYR 29 2.046 -13.793 3.564
193 HD1 TYR 29 HD1 TYR 29 -0.297 -14.010 2.892
194 HD2 TYR 29 HD2 TYR 29 2.773 -13.133 0.019
195 HE1 TYR 29 HE1 TYR 29 -1.863 -14.563 1.050
196 HE2 TYR 29 HE2 TYR 29 1.208 -13.685 -1.823
197 HH TYR 29 HH TYR 29 -2.010 -15.001 -1.166
198 H TYR 30 H TYR 30 3.872 -11.990 1.150
199 HA TYR 30 HA TYR 30 2.760 -9.689 -0.422
200 1HB TYR 30 1HB TYR 30 5.604 -10.438 0.295
201 2HB TYR 30 2HB TYR 30 5.233 -9.324 -1.022
202 HD1 TYR 30 HD1 TYR 30 5.037 -7.051 -0.546
203 HD2 TYR 30 HD2 TYR 30 4.364 -9.915 2.585
204 HE1 TYR 30 HE1 TYR 30 4.759 -5.203 1.084
205 HE2 TYR 30 HE2 TYR 30 4.084 -8.065 4.214
206 HH TYR 30 HH TYR 30 5.083 -5.365 4.117
207 H TRP 31 H TRP 31 2.273 -10.274 -2.505
208 HA TRP 31 HA TRP 31 3.192 -12.940 -3.470
209 1HB TRP 31 1HB TRP 31 0.851 -12.690 -3.552
210 2HB TRP 31 2HB TRP 31 0.956 -11.019 -4.095
211 HD1 TRP 31 HD1 TRP 31 2.917 -13.913 -5.670
212 HE1 TRP 31 HE1 TRP 31 2.178 -14.165 -8.127
213 HE3 TRP 31 HE3 TRP 31 -0.916 -10.543 -5.784
214 HZ2 TRP 31 HZ2 TRP 31 0.218 -13.079 -9.906
215 HZ3 TRP 31 HZ3 TRP 31 -2.201 -10.171 -7.870
216 HH2 TRP 31 HH2 TRP 31 -1.640 -11.434 -9.929
217 H HIS 32 H HIS 32 4.894 -12.960 -4.852
218 HA HIS 32 HA HIS 32 5.835 -10.509 -6.160
219 1HB HIS 32 1HB HIS 32 7.046 -12.644 -5.078
220 2HB HIS 32 2HB HIS 32 6.949 -13.228 -6.738
221 HD1 HIS 32 HD1 HIS 32 9.730 -12.788 -6.019
222 HD2 HIS 32 HD2 HIS 32 7.362 -9.563 -7.187
223 HE1 HIS 32 HE1 HIS 32 11.321 -10.967 -6.774
224 H ILE 33 H ILE 33 4.720 -9.887 -7.950
225 HA ILE 33 HA ILE 33 3.157 -11.584 -9.643
226 HB ILE 33 HB ILE 33 4.365 -8.840 -10.106
227 1HG1 ILE 33 1HG1 ILE 33 1.577 -9.394 -9.110
228 2HG1 ILE 33 2HG1 ILE 33 2.924 -9.359 -7.973
229 1HG2 ILE 33 1HG2 ILE 33 3.473 -9.708 -12.168
230 2HG2 ILE 33 2HG2 ILE 33 2.282 -8.579 -11.525
231 3HG2 ILE 33 3HG2 ILE 33 2.031 -10.316 -11.355
232 1HD1 ILE 33 1HD1 ILE 33 1.526 -7.144 -9.093
233 2HD1 ILE 33 2HD1 ILE 33 3.170 -7.111 -9.730
234 3HD1 ILE 33 3HD1 ILE 33 2.900 -7.112 -7.987
235 HA PRO 34 HA PRO 34 6.821 -11.179 -12.713
236 1HB PRO 34 1HB PRO 34 9.300 -10.681 -11.670
237 2HB PRO 34 2HB PRO 34 8.194 -9.402 -12.206
238 1HG PRO 34 1HG PRO 34 8.811 -10.345 -9.462
239 2HG PRO 34 2HG PRO 34 8.454 -8.713 -10.045
240 1HD PRO 34 1HD PRO 34 6.666 -10.326 -8.729
241 2HD PRO 34 2HD PRO 34 6.207 -8.988 -9.803
242 H THR 35 H THR 35 8.336 -12.260 -9.627
243 HA THR 35 HA THR 35 9.283 -14.722 -10.945
244 HB THR 35 HB THR 35 10.515 -15.001 -8.917
245 HG1 THR 35 HG1 THR 35 8.495 -13.345 -7.866
246 1HG2 THR 35 1HG2 THR 35 10.740 -12.742 -10.382
247 2HG2 THR 35 2HG2 THR 35 11.776 -13.092 -8.999
248 3HG2 THR 35 3HG2 THR 35 10.377 -12.037 -8.808
249 H GLY 36 H GLY 36 6.767 -13.755 -8.660
250 1HA GLY 36 1HA GLY 36 4.733 -15.014 -8.331
251 2HA GLY 36 2HA GLY 36 5.555 -16.446 -8.956
252 H THR 37 H THR 37 7.863 -15.375 -7.067
253 HA THR 37 HA THR 37 7.500 -17.271 -4.970
254 HB THR 37 HB THR 37 9.114 -14.734 -4.771
255 HG1 THR 37 HG1 THR 37 10.218 -15.305 -6.448
256 1HG2 THR 37 1HG2 THR 37 8.947 -16.752 -3.052
257 2HG2 THR 37 2HG2 THR 37 10.481 -15.941 -3.368
258 3HG2 THR 37 3HG2 THR 37 10.114 -17.475 -4.158
259 H THR 38 H THR 38 7.114 -16.824 -2.677
260 HA THR 38 HA THR 38 5.405 -14.396 -2.213
261 HB THR 38 HB THR 38 4.704 -16.363 -0.353
262 HG1 THR 38 HG1 THR 38 4.871 -18.234 -1.300
263 1HG2 THR 38 1HG2 THR 38 3.101 -14.933 -1.435
264 2HG2 THR 38 2HG2 THR 38 2.677 -16.594 -1.850
265 3HG2 THR 38 3HG2 THR 38 3.516 -15.579 -3.023
266 H GLN 39 H GLN 39 5.544 -13.525 0.005
267 HA GLN 39 HA GLN 39 7.890 -14.473 1.594
268 1HB GLN 39 1HB GLN 39 7.351 -11.615 0.723
269 2HB GLN 39 2HB GLN 39 8.720 -12.163 1.691
270 1HG GLN 39 1HG GLN 39 9.001 -13.833 -0.395
271 2HG GLN 39 2HG GLN 39 8.210 -12.492 -1.225
272 1HE2 GLN 39 1HE2 GLN 39 11.172 -13.533 -1.071
273 2HE2 GLN 39 2HE2 GLN 39 12.057 -12.111 -0.795
274 H TRP 40 H TRP 40 7.607 -11.916 3.176
275 HA TRP 40 HA TRP 40 4.928 -12.292 4.434
276 1HB TRP 40 1HB TRP 40 6.672 -13.812 5.444
277 2HB TRP 40 2HB TRP 40 7.579 -12.376 5.909
278 HD1 TRP 40 HD1 TRP 40 6.945 -11.260 8.109
279 HE1 TRP 40 HE1 TRP 40 5.024 -11.522 9.810
280 HE3 TRP 40 HE3 TRP 40 3.935 -14.491 5.545
281 HZ2 TRP 40 HZ2 TRP 40 2.537 -12.919 10.049
282 HZ3 TRP 40 HZ3 TRP 40 1.800 -15.271 6.531
283 HH2 TRP 40 HH2 TRP 40 1.096 -14.489 8.777
284 H GLU 41 H GLU 41 8.042 -10.585 4.881
285 HA GLU 41 HA GLU 41 6.616 -8.144 5.758
286 1HB GLU 41 1HB GLU 41 9.540 -8.914 5.470
287 2HB GLU 41 2HB GLU 41 8.977 -7.398 6.173
288 1HG GLU 41 1HG GLU 41 7.486 -9.294 7.531
289 2HG GLU 41 2HG GLU 41 9.054 -10.081 7.351
290 HA PRO 42 HA PRO 42 6.958 -6.034 1.924
291 1HB PRO 42 1HB PRO 42 7.584 -3.491 2.716
292 2HB PRO 42 2HB PRO 42 5.978 -4.206 2.950
293 1HG PRO 42 1HG PRO 42 8.192 -3.848 4.900
294 2HG PRO 42 2HG PRO 42 6.444 -3.704 5.136
295 1HD PRO 42 1HD PRO 42 7.918 -5.883 5.896
296 2HD PRO 42 2HD PRO 42 6.184 -5.939 5.515
297 HA PRO 43 HA PRO 43 11.386 -6.294 1.257
298 1HB PRO 43 1HB PRO 43 11.246 -6.397 -1.472
299 2HB PRO 43 2HB PRO 43 10.920 -7.802 -0.437
300 1HG PRO 43 1HG PRO 43 9.019 -6.000 -1.833
301 2HG PRO 43 2HG PRO 43 8.915 -7.741 -1.535
302 1HD PRO 43 1HD PRO 43 7.557 -5.831 -0.095
303 2HD PRO 43 2HD PRO 43 7.947 -7.456 0.506
304 H GLY 44 H GLY 44 12.968 -4.768 0.515
305 1HA GLY 44 1HA GLY 44 13.786 -2.694 -0.238
306 2HA GLY 44 2HA GLY 44 12.261 -2.468 -1.096
307 H ARG 45 H ARG 45 12.187 -3.172 2.308
308 HA ARG 45 HA ARG 45 11.864 -0.293 2.991
309 1HB ARG 45 1HB ARG 45 9.691 -1.473 2.222
310 2HB ARG 45 2HB ARG 45 9.791 -2.353 3.747
311 1HG ARG 45 1HG ARG 45 10.243 0.313 4.457
312 2HG ARG 45 2HG ARG 45 8.948 0.390 3.262
313 1HD ARG 45 1HD ARG 45 7.557 -0.142 4.988
314 2HD ARG 45 2HD ARG 45 8.224 -1.781 4.854
315 HE ARG 45 HE ARG 45 9.605 0.271 6.533
316 1HH1 ARG 45 1HH1 ARG 45 7.380 -1.078 7.968
317 2HH1 ARG 45 2HH1 ARG 45 8.165 -2.456 8.667
318 1HH2 ARG 45 1HH2 ARG 45 10.947 -2.249 6.607
319 2HH2 ARG 45 2HH2 ARG 45 10.185 -3.119 7.896
320 H ALA 46 H ALA 46 11.998 -3.662 4.095
321 HA ALA 46 HA ALA 46 12.840 -2.733 6.807
322 1HB ALA 46 1HB ALA 46 11.019 -4.598 5.958
323 2HB ALA 46 2HB ALA 46 11.782 -4.616 7.548
324 3HB ALA 46 3HB ALA 46 12.439 -5.607 6.244
325 H SER 47 H SER 47 15.064 -2.295 6.515
326 HA SER 47 HA SER 47 16.815 -4.637 6.277
327 1HB SER 47 1HB SER 47 16.357 -4.146 3.935
328 2HB SER 47 2HB SER 47 16.722 -2.442 4.183
329 HG SER 47 HG SER 47 18.742 -2.914 3.910
330 HA PRO 48 HA PRO 48 18.915 -1.795 8.974
331 1HB PRO 48 1HB PRO 48 21.063 -3.400 9.519
332 2HB PRO 48 2HB PRO 48 19.466 -3.642 10.254
333 1HG PRO 48 1HG PRO 48 20.747 -5.088 7.994
334 2HG PRO 48 2HG PRO 48 19.711 -5.706 9.291
335 1HD PRO 48 1HD PRO 48 18.842 -5.221 6.740
336 2HD PRO 48 2HD PRO 48 17.788 -5.196 8.170
337 H SER 49 H SER 49 21.618 -1.444 9.123
338 HA SER 49 HA SER 49 22.970 -1.434 6.556
339 1HB SER 49 1HB SER 49 21.144 0.737 7.309
340 2HB SER 49 2HB SER 49 22.756 1.311 6.894
341 HG SER 49 HG SER 49 20.844 0.563 5.258
342 H GLN 50 H GLN 50 24.879 0.332 6.767
343 HA GLN 50 HA GLN 50 26.490 -0.416 8.999
344 1HB GLN 50 1HB GLN 50 26.747 0.913 6.576
345 2HB GLN 50 2HB GLN 50 27.097 2.174 7.760
346 1HG GLN 50 1HG GLN 50 29.013 1.154 8.482
347 2HG GLN 50 2HG GLN 50 28.351 -0.467 8.270
348 1HE2 GLN 50 1HE2 GLN 50 29.902 2.232 6.544
349 2HE2 GLN 50 2HE2 GLN 50 30.331 1.328 5.172
Start of MODEL 5
1 H ASP 1 H ASP 1 -17.440 9.076 22.185
2 HA ASP 1 HA ASP 1 -19.176 8.609 20.727
3 1HB ASP 1 1HB ASP 1 -17.627 10.829 20.516
4 2HB ASP 1 2HB ASP 1 -17.552 10.246 18.853
5 H SER 2 H SER 2 -16.068 7.560 19.610
6 HA SER 2 HA SER 2 -17.341 6.247 17.231
7 1HB SER 2 1HB SER 2 -14.391 6.501 17.472
8 2HB SER 2 2HB SER 2 -15.427 6.757 16.070
9 HG SER 2 HG SER 2 -16.122 8.715 17.125
10 H PHE 3 H PHE 3 -16.115 4.127 16.663
11 HA PHE 3 HA PHE 3 -14.936 2.701 18.965
12 1HB PHE 3 1HB PHE 3 -17.522 2.719 19.077
13 2HB PHE 3 2HB PHE 3 -17.460 1.638 17.685
14 HD1 PHE 3 HD1 PHE 3 -15.276 1.923 20.719
15 HD2 PHE 3 HD2 PHE 3 -17.951 -0.529 18.419
16 HE1 PHE 3 HE1 PHE 3 -14.815 0.007 22.224
17 HE2 PHE 3 HE2 PHE 3 -17.489 -2.445 19.925
18 HZ PHE 3 HZ PHE 3 -15.921 -2.177 21.827
19 H TRP 4 H TRP 4 -16.625 1.812 15.926
20 HA TRP 4 HA TRP 4 -14.891 -0.283 15.168
21 1HB TRP 4 1HB TRP 4 -16.667 1.660 13.686
22 2HB TRP 4 2HB TRP 4 -15.800 0.383 12.832
23 HD1 TRP 4 HD1 TRP 4 -17.556 0.223 16.270
24 HE1 TRP 4 HE1 TRP 4 -19.279 -1.693 16.203
25 HE3 TRP 4 HE3 TRP 4 -17.080 -1.220 11.394
26 HZ2 TRP 4 HZ2 TRP 4 -20.319 -3.586 14.328
27 HZ3 TRP 4 HZ3 TRP 4 -18.449 -3.081 10.495
28 HH2 TRP 4 HH2 TRP 4 -20.065 -4.265 11.954
29 H ASN 5 H ASN 5 -13.614 0.002 12.909
30 HA ASN 5 HA ASN 5 -11.240 1.465 13.428
31 1HB ASN 5 1HB ASN 5 -12.534 0.015 11.193
32 2HB ASN 5 2HB ASN 5 -11.297 1.175 10.709
33 1HD2 ASN 5 1HD2 ASN 5 -10.677 -1.482 10.276
34 2HD2 ASN 5 2HD2 ASN 5 -9.533 -2.022 11.408
35 HA PRO 6 HA PRO 6 -12.253 5.569 12.243
36 1HB PRO 6 1HB PRO 6 -9.830 6.438 11.321
37 2HB PRO 6 2HB PRO 6 -10.172 6.181 13.043
38 1HG PRO 6 1HG PRO 6 -8.697 4.450 11.129
39 2HG PRO 6 2HG PRO 6 -8.380 4.768 12.840
40 1HD PRO 6 1HD PRO 6 -9.583 2.493 11.906
41 2HD PRO 6 2HD PRO 6 -9.825 3.145 13.541
42 H ASN 7 H ASN 7 -10.486 3.612 9.872
43 HA ASN 7 HA ASN 7 -12.210 4.740 7.720
44 1HB ASN 7 1HB ASN 7 -10.187 6.125 7.815
45 2HB ASN 7 2HB ASN 7 -9.175 4.681 7.747
46 1HD2 ASN 7 1HD2 ASN 7 -11.829 6.236 5.851
47 2HD2 ASN 7 2HD2 ASN 7 -11.195 5.802 4.337
48 H ALA 8 H ALA 8 -12.156 2.118 9.009
49 HA ALA 8 HA ALA 8 -12.081 -0.175 8.426
50 1HB ALA 8 1HB ALA 8 -12.026 0.347 5.552
51 2HB ALA 8 2HB ALA 8 -13.171 1.396 6.389
52 3HB ALA 8 3HB ALA 8 -13.313 -0.355 6.532
53 H PHE 9 H PHE 9 -10.943 -1.309 6.040
54 HA PHE 9 HA PHE 9 -8.146 -1.436 6.816
55 1HB PHE 9 1HB PHE 9 -8.066 -3.107 5.077
56 2HB PHE 9 2HB PHE 9 -9.631 -3.269 5.870
57 HD1 PHE 9 HD1 PHE 9 -7.880 -2.257 2.811
58 HD2 PHE 9 HD2 PHE 9 -11.692 -2.465 4.777
59 HE1 PHE 9 HE1 PHE 9 -9.018 -1.858 0.646
60 HE2 PHE 9 HE2 PHE 9 -12.832 -2.066 2.611
61 HZ PHE 9 HZ PHE 9 -11.494 -1.762 0.545
62 H GLU 10 H GLU 10 -6.920 -1.591 4.275
63 HA GLU 10 HA GLU 10 -7.354 0.956 2.859
64 1HB GLU 10 1HB GLU 10 -5.731 0.861 5.132
65 2HB GLU 10 2HB GLU 10 -4.590 0.777 3.788
66 1HG GLU 10 1HG GLU 10 -5.246 2.846 2.925
67 2HG GLU 10 2HG GLU 10 -6.823 2.786 3.715
68 H THR 11 H THR 11 -6.312 0.942 0.810
69 HA THR 11 HA THR 11 -5.756 -1.559 -0.411
70 HB THR 11 HB THR 11 -4.545 1.035 -1.339
71 HG1 THR 11 HG1 THR 11 -6.906 1.167 -2.191
72 1HG2 THR 11 1HG2 THR 11 -4.428 -0.139 -3.250
73 2HG2 THR 11 2HG2 THR 11 -6.185 -0.285 -3.254
74 3HG2 THR 11 3HG2 THR 11 -5.200 -1.515 -2.464
75 H ASP 12 H ASP 12 -3.369 -1.417 -1.741
76 HA ASP 12 HA ASP 12 -1.444 -2.530 -0.069
77 1HB ASP 12 1HB ASP 12 0.127 -1.870 -1.887
78 2HB ASP 12 2HB ASP 12 -1.390 -2.500 -2.528
79 H SER 13 H SER 13 0.364 -1.684 1.085
80 HA SER 13 HA SER 13 -0.011 0.985 2.223
81 1HB SER 13 1HB SER 13 2.166 0.222 3.399
82 2HB SER 13 2HB SER 13 0.714 -0.732 3.690
83 HG SER 13 HG SER 13 2.567 -2.001 3.131
84 H ASP 14 H ASP 14 2.800 -0.556 0.643
85 HA ASP 14 HA ASP 14 3.267 1.569 -1.232
86 1HB ASP 14 1HB ASP 14 3.839 2.165 1.462
87 2HB ASP 14 2HB ASP 14 5.407 1.872 0.708
88 H LEU 15 H LEU 15 3.408 -1.218 -1.453
89 HA LEU 15 HA LEU 15 6.088 -2.260 -1.113
90 1HB LEU 15 1HB LEU 15 3.589 -3.027 -2.616
91 2HB LEU 15 2HB LEU 15 5.074 -3.948 -2.839
92 HG LEU 15 HG LEU 15 3.615 -4.901 -1.051
93 1HD1 LEU 15 1HD1 LEU 15 6.184 -4.998 -1.071
94 2HD1 LEU 15 2HD1 LEU 15 5.394 -5.309 0.475
95 3HD1 LEU 15 3HD1 LEU 15 6.128 -3.736 0.159
96 1HD2 LEU 15 1HD2 LEU 15 3.310 -3.674 1.027
97 2HD2 LEU 15 2HD2 LEU 15 2.724 -2.672 -0.301
98 3HD2 LEU 15 3HD2 LEU 15 4.296 -2.341 0.427
99 HA PRO 16 HA PRO 16 8.115 -0.839 -4.736
100 1HB PRO 16 1HB PRO 16 9.297 -3.110 -5.720
101 2HB PRO 16 2HB PRO 16 9.875 -2.268 -4.267
102 1HG PRO 16 1HG PRO 16 8.149 -4.689 -4.488
103 2HG PRO 16 2HG PRO 16 9.487 -4.360 -3.375
104 1HD PRO 16 1HD PRO 16 6.902 -4.141 -2.633
105 2HD PRO 16 2HD PRO 16 8.175 -3.095 -1.963
106 H ALA 17 H ALA 17 8.530 -2.178 -7.194
107 HA ALA 17 HA ALA 17 5.757 -2.161 -8.257
108 1HB ALA 17 1HB ALA 17 7.011 -0.807 -9.616
109 2HB ALA 17 2HB ALA 17 7.420 -2.331 -10.404
110 3HB ALA 17 3HB ALA 17 8.515 -1.632 -9.212
111 H GLY 18 H GLY 18 4.746 -4.067 -8.671
112 1HA GLY 18 1HA GLY 18 4.671 -6.205 -9.833
113 2HA GLY 18 2HA GLY 18 6.393 -6.403 -9.511
114 H TRP 19 H TRP 19 5.604 -5.312 -6.649
115 HA TRP 19 HA TRP 19 5.105 -8.042 -5.575
116 1HB TRP 19 1HB TRP 19 6.205 -5.429 -4.591
117 2HB TRP 19 2HB TRP 19 5.598 -6.590 -3.409
118 HD1 TRP 19 HD1 TRP 19 8.441 -5.965 -5.806
119 HE1 TRP 19 HE1 TRP 19 10.204 -7.826 -5.557
120 HE3 TRP 19 HE3 TRP 19 5.877 -9.220 -2.814
121 HZ2 TRP 19 HZ2 TRP 19 10.491 -10.360 -4.265
122 HZ3 TRP 19 HZ3 TRP 19 6.921 -11.351 -2.095
123 HH2 TRP 19 HH2 TRP 19 9.223 -11.923 -2.817
124 H MET 20 H MET 20 3.228 -8.557 -4.452
125 HA MET 20 HA MET 20 1.124 -6.423 -4.314
126 1HB MET 20 1HB MET 20 0.780 -9.427 -4.405
127 2HB MET 20 2HB MET 20 -0.443 -8.204 -4.721
128 1HG MET 20 1HG MET 20 1.813 -7.752 -6.446
129 2HG MET 20 2HG MET 20 1.289 -9.429 -6.597
130 1HE MET 20 1HE MET 20 -0.875 -5.677 -6.526
131 2HE MET 20 2HE MET 20 -0.194 -5.680 -8.151
132 3HE MET 20 3HE MET 20 0.856 -5.949 -6.762
133 H ARG 21 H ARG 21 -0.419 -6.694 -2.497
134 HA ARG 21 HA ARG 21 0.872 -7.904 -0.072
135 1HB ARG 21 1HB ARG 21 0.720 -5.341 -0.363
136 2HB ARG 21 2HB ARG 21 -1.017 -5.542 -0.132
137 1HG ARG 21 1HG ARG 21 -0.554 -6.711 2.025
138 2HG ARG 21 2HG ARG 21 1.162 -6.368 1.807
139 1HD ARG 21 1HD ARG 21 0.746 -3.966 1.865
140 2HD ARG 21 2HD ARG 21 -1.007 -4.241 1.927
141 HE ARG 21 HE ARG 21 -0.374 -5.629 4.077
142 1HH1 ARG 21 1HH1 ARG 21 -0.930 -2.752 4.573
143 2HH1 ARG 21 2HH1 ARG 21 0.496 -2.231 5.406
144 1HH2 ARG 21 1HH2 ARG 21 2.384 -4.975 4.441
145 2HH2 ARG 21 2HH2 ARG 21 2.373 -3.488 5.329
146 H VAL 22 H VAL 22 -0.310 -9.836 0.080
147 HA VAL 22 HA VAL 22 -3.285 -9.662 -0.163
148 HB VAL 22 HB VAL 22 -1.514 -12.107 -0.025
149 1HG1 VAL 22 1HG1 VAL 22 -4.230 -11.632 -1.283
150 2HG1 VAL 22 2HG1 VAL 22 -3.972 -12.383 0.293
151 3HG1 VAL 22 3HG1 VAL 22 -3.385 -13.175 -1.169
152 1HG2 VAL 22 1HG2 VAL 22 -2.348 -11.535 -2.697
153 2HG2 VAL 22 2HG2 VAL 22 -0.701 -11.613 -2.070
154 3HG2 VAL 22 3HG2 VAL 22 -1.581 -10.084 -2.053
155 H GLN 23 H GLN 23 -4.538 -10.914 1.436
156 HA GLN 23 HA GLN 23 -3.196 -11.039 4.110
157 1HB GLN 23 1HB GLN 23 -5.676 -10.565 4.822
158 2HB GLN 23 2HB GLN 23 -4.694 -9.234 4.220
159 1HG GLN 23 1HG GLN 23 -5.660 -9.522 1.975
160 2HG GLN 23 2HG GLN 23 -6.622 -10.883 2.554
161 1HE2 GLN 23 1HE2 GLN 23 -6.059 -8.017 4.565
162 2HE2 GLN 23 2HE2 GLN 23 -7.657 -7.449 4.508
163 H ASP 24 H ASP 24 -2.762 -13.355 3.591
164 HA ASP 24 HA ASP 24 -4.962 -15.185 3.092
165 1HB ASP 24 1HB ASP 24 -2.093 -15.156 3.251
166 2HB ASP 24 2HB ASP 24 -2.719 -16.522 4.172
167 H THR 25 H THR 25 -5.613 -16.895 4.642
168 HA THR 25 HA THR 25 -6.491 -15.958 7.148
169 HB THR 25 HB THR 25 -6.536 -18.538 7.591
170 HG1 THR 25 HG1 THR 25 -4.919 -19.049 6.096
171 1HG2 THR 25 1HG2 THR 25 -8.159 -16.777 6.146
172 2HG2 THR 25 2HG2 THR 25 -8.616 -18.372 6.744
173 3HG2 THR 25 3HG2 THR 25 -7.997 -18.191 5.103
174 H SER 26 H SER 26 -3.342 -17.100 6.204
175 HA SER 26 HA SER 26 -2.454 -17.692 8.942
176 1HB SER 26 1HB SER 26 -1.389 -17.760 6.159
177 2HB SER 26 2HB SER 26 -0.209 -17.627 7.460
178 HG SER 26 HG SER 26 -1.618 -19.428 8.395
179 H GLY 27 H GLY 27 -2.242 -15.026 6.633
180 1HA GLY 27 1HA GLY 27 -1.985 -12.923 8.376
181 2HA GLY 27 2HA GLY 27 -0.331 -13.524 8.263
182 H THR 28 H THR 28 -0.865 -10.971 7.362
183 HA THR 28 HA THR 28 -1.408 -10.955 4.489
184 HB THR 28 HB THR 28 -0.065 -8.744 6.013
185 HG1 THR 28 HG1 THR 28 -2.806 -9.423 6.237
186 1HG2 THR 28 1HG2 THR 28 -1.360 -7.343 4.605
187 2HG2 THR 28 2HG2 THR 28 -2.471 -8.650 4.194
188 3HG2 THR 28 3HG2 THR 28 -0.826 -8.658 3.558
189 H TYR 29 H TYR 29 0.112 -11.695 3.055
190 HA TYR 29 HA TYR 29 3.003 -11.284 3.757
191 1HB TYR 29 1HB TYR 29 3.391 -13.280 2.393
192 2HB TYR 29 2HB TYR 29 2.165 -13.625 3.609
193 HD1 TYR 29 HD1 TYR 29 -0.230 -13.760 2.982
194 HD2 TYR 29 HD2 TYR 29 2.850 -13.198 0.042
195 HE1 TYR 29 HE1 TYR 29 -1.825 -14.389 1.190
196 HE2 TYR 29 HE2 TYR 29 1.256 -13.827 -1.750
197 HH TYR 29 HH TYR 29 -0.831 -15.102 -1.988
198 H TYR 30 H TYR 30 4.003 -11.857 1.188
199 HA TYR 30 HA TYR 30 2.897 -9.624 -0.483
200 1HB TYR 30 1HB TYR 30 5.766 -10.357 0.187
201 2HB TYR 30 2HB TYR 30 5.313 -9.138 -1.005
202 HD1 TYR 30 HD1 TYR 30 6.117 -9.676 2.395
203 HD2 TYR 30 HD2 TYR 30 3.566 -7.334 -0.146
204 HE1 TYR 30 HE1 TYR 30 5.853 -7.998 4.203
205 HE2 TYR 30 HE2 TYR 30 3.303 -5.657 1.660
206 HH TYR 30 HH TYR 30 3.853 -6.166 4.733
207 H TRP 31 H TRP 31 2.371 -10.351 -2.506
208 HA TRP 31 HA TRP 31 3.412 -12.998 -3.389
209 1HB TRP 31 1HB TRP 31 1.054 -12.853 -3.435
210 2HB TRP 31 2HB TRP 31 1.079 -11.213 -4.067
211 HD1 TRP 31 HD1 TRP 31 3.305 -13.879 -5.608
212 HE1 TRP 31 HE1 TRP 31 2.485 -14.376 -8.003
213 HE3 TRP 31 HE3 TRP 31 -1.048 -11.210 -5.621
214 HZ2 TRP 31 HZ2 TRP 31 0.273 -13.726 -9.697
215 HZ3 TRP 31 HZ3 TRP 31 -2.491 -11.167 -7.635
216 HH2 TRP 31 HH2 TRP 31 -1.837 -12.420 -9.672
217 H HIS 32 H HIS 32 5.188 -12.906 -4.683
218 HA HIS 32 HA HIS 32 5.932 -10.499 -6.162
219 1HB HIS 32 1HB HIS 32 7.264 -12.548 -5.005
220 2HB HIS 32 2HB HIS 32 7.232 -13.133 -6.668
221 HD1 HIS 32 HD1 HIS 32 9.959 -12.423 -5.769
222 HD2 HIS 32 HD2 HIS 32 7.376 -9.511 -7.258
223 HE1 HIS 32 HE1 HIS 32 11.415 -10.499 -6.540
224 H ILE 33 H ILE 33 4.726 -10.045 -7.939
225 HA ILE 33 HA ILE 33 3.295 -11.944 -9.537
226 HB ILE 33 HB ILE 33 4.202 -9.105 -10.091
227 1HG1 ILE 33 1HG1 ILE 33 1.669 -10.186 -8.806
228 2HG1 ILE 33 2HG1 ILE 33 2.976 -9.365 -7.952
229 1HG2 ILE 33 1HG2 ILE 33 2.887 -10.956 -11.754
230 2HG2 ILE 33 2HG2 ILE 33 3.002 -9.213 -11.995
231 3HG2 ILE 33 3HG2 ILE 33 1.617 -9.896 -11.143
232 1HD1 ILE 33 1HD1 ILE 33 2.418 -7.610 -10.009
233 2HD1 ILE 33 2HD1 ILE 33 1.813 -7.464 -8.358
234 3HD1 ILE 33 3HD1 ILE 33 0.821 -8.236 -9.596
235 HA PRO 34 HA PRO 34 6.862 -11.282 -12.686
236 1HB PRO 34 1HB PRO 34 9.352 -10.794 -11.660
237 2HB PRO 34 2HB PRO 34 8.225 -9.512 -12.142
238 1HG PRO 34 1HG PRO 34 8.873 -10.543 -9.435
239 2HG PRO 34 2HG PRO 34 8.516 -8.891 -9.961
240 1HD PRO 34 1HD PRO 34 6.734 -10.520 -8.679
241 2HD PRO 34 2HD PRO 34 6.262 -9.176 -9.741
242 H THR 35 H THR 35 8.548 -12.426 -9.714
243 HA THR 35 HA THR 35 9.371 -14.879 -11.133
244 HB THR 35 HB THR 35 10.940 -13.752 -9.673
245 HG1 THR 35 HG1 THR 35 9.880 -16.078 -8.444
246 1HG2 THR 35 1HG2 THR 35 9.700 -12.484 -8.173
247 2HG2 THR 35 2HG2 THR 35 10.257 -13.792 -7.129
248 3HG2 THR 35 3HG2 THR 35 8.617 -13.819 -7.779
249 H GLY 36 H GLY 36 6.901 -13.880 -8.873
250 1HA GLY 36 1HA GLY 36 4.925 -15.152 -8.391
251 2HA GLY 36 2HA GLY 36 5.742 -16.598 -8.986
252 H THR 37 H THR 37 8.115 -15.535 -7.217
253 HA THR 37 HA THR 37 7.787 -17.330 -5.041
254 HB THR 37 HB THR 37 9.402 -14.792 -4.922
255 HG1 THR 37 HG1 THR 37 10.030 -17.114 -6.422
256 1HG2 THR 37 1HG2 THR 37 9.339 -16.643 -3.117
257 2HG2 THR 37 2HG2 THR 37 10.916 -16.076 -3.668
258 3HG2 THR 37 3HG2 THR 37 10.264 -17.599 -4.274
259 H THR 38 H THR 38 7.410 -16.828 -2.766
260 HA THR 38 HA THR 38 5.725 -14.378 -2.343
261 HB THR 38 HB THR 38 4.855 -16.131 -0.468
262 HG1 THR 38 HG1 THR 38 5.138 -18.149 -1.078
263 1HG2 THR 38 1HG2 THR 38 4.007 -16.147 -3.377
264 2HG2 THR 38 2HG2 THR 38 3.498 -14.957 -2.180
265 3HG2 THR 38 3HG2 THR 38 3.018 -16.644 -2.004
266 H GLN 39 H GLN 39 5.785 -13.588 -0.049
267 HA GLN 39 HA GLN 39 8.122 -14.480 1.556
268 1HB GLN 39 1HB GLN 39 7.708 -11.709 0.387
269 2HB GLN 39 2HB GLN 39 8.919 -12.089 1.613
270 1HG GLN 39 1HG GLN 39 9.572 -13.998 -0.116
271 2HG GLN 39 2HG GLN 39 8.823 -12.890 -1.266
272 1HE2 GLN 39 1HE2 GLN 39 11.302 -12.913 -1.955
273 2HE2 GLN 39 2HE2 GLN 39 12.262 -11.703 -1.252
274 H TRP 40 H TRP 40 8.058 -12.159 3.263
275 HA TRP 40 HA TRP 40 5.256 -12.090 4.286
276 1HB TRP 40 1HB TRP 40 7.743 -12.939 5.804
277 2HB TRP 40 2HB TRP 40 6.165 -12.674 6.546
278 HD1 TRP 40 HD1 TRP 40 8.162 -15.199 4.639
279 HE1 TRP 40 HE1 TRP 40 6.738 -17.306 4.219
280 HE3 TRP 40 HE3 TRP 40 3.573 -13.462 6.059
281 HZ2 TRP 40 HZ2 TRP 40 4.014 -18.145 4.453
282 HZ3 TRP 40 HZ3 TRP 40 1.583 -14.935 5.949
283 HH2 TRP 40 HH2 TRP 40 1.797 -17.272 5.149
284 H GLU 41 H GLU 41 8.578 -10.828 4.452
285 HA GLU 41 HA GLU 41 7.678 -8.420 5.924
286 1HB GLU 41 1HB GLU 41 10.397 -9.171 4.806
287 2HB GLU 41 2HB GLU 41 10.061 -7.984 6.069
288 1HG GLU 41 1HG GLU 41 9.437 -9.653 7.631
289 2HG GLU 41 2HG GLU 41 9.259 -10.879 6.375
290 HA PRO 42 HA PRO 42 7.371 -5.855 2.375
291 1HB PRO 42 1HB PRO 42 8.380 -3.488 3.303
292 2HB PRO 42 2HB PRO 42 6.801 -4.125 3.802
293 1HG PRO 42 1HG PRO 42 9.403 -4.178 5.239
294 2HG PRO 42 2HG PRO 42 7.767 -3.950 5.873
295 1HD PRO 42 1HD PRO 42 9.148 -6.307 6.033
296 2HD PRO 42 2HD PRO 42 7.374 -6.194 6.029
297 HA PRO 43 HA PRO 43 11.573 -6.397 0.825
298 1HB PRO 43 1HB PRO 43 10.846 -6.467 -1.812
299 2HB PRO 43 2HB PRO 43 10.709 -7.873 -0.736
300 1HG PRO 43 1HG PRO 43 8.607 -5.984 -1.659
301 2HG PRO 43 2HG PRO 43 8.518 -7.732 -1.393
302 1HD PRO 43 1HD PRO 43 7.542 -5.871 0.359
303 2HD PRO 43 2HD PRO 43 8.072 -7.499 0.834
304 H GLY 44 H GLY 44 11.839 -4.072 1.591
305 1HA GLY 44 1HA GLY 44 11.889 -2.246 -0.771
306 2HA GLY 44 2HA GLY 44 11.268 -1.672 0.777
307 H ARG 45 H ARG 45 14.051 -3.813 0.244
308 HA ARG 45 HA ARG 45 15.731 -1.857 1.746
309 1HB ARG 45 1HB ARG 45 15.745 -4.815 1.198
310 2HB ARG 45 2HB ARG 45 17.234 -4.017 1.703
311 1HG ARG 45 1HG ARG 45 16.161 -3.186 3.723
312 2HG ARG 45 2HG ARG 45 14.606 -3.836 3.202
313 1HD ARG 45 1HD ARG 45 15.525 -6.130 3.285
314 2HD ARG 45 2HD ARG 45 17.089 -5.480 3.818
315 HE ARG 45 HE ARG 45 16.117 -5.409 5.963
316 1HH1 ARG 45 1HH1 ARG 45 13.583 -6.771 5.135
317 2HH1 ARG 45 2HH1 ARG 45 12.385 -5.584 5.532
318 1HH2 ARG 45 1HH2 ARG 45 14.663 -2.983 5.785
319 2HH2 ARG 45 2HH2 ARG 45 12.997 -3.440 5.900
320 H ALA 46 H ALA 46 15.004 -1.751 -1.233
321 HA ALA 46 HA ALA 46 17.719 -1.154 -2.191
322 1HB ALA 46 1HB ALA 46 17.908 -3.369 -2.809
323 2HB ALA 46 2HB ALA 46 17.024 -2.787 -4.219
324 3HB ALA 46 3HB ALA 46 16.162 -3.594 -2.909
325 H SER 47 H SER 47 14.870 0.017 -1.864
326 HA SER 47 HA SER 47 14.893 1.544 -4.367
327 1HB SER 47 1HB SER 47 13.592 -0.867 -4.395
328 2HB SER 47 2HB SER 47 12.289 0.216 -3.912
329 HG SER 47 HG SER 47 14.027 0.748 -6.086
330 HA PRO 48 HA PRO 48 13.014 3.461 -0.532
331 1HB PRO 48 1HB PRO 48 14.846 5.477 -0.263
332 2HB PRO 48 2HB PRO 48 15.044 3.882 0.493
333 1HG PRO 48 1HG PRO 48 16.288 4.971 -1.981
334 2HG PRO 48 2HG PRO 48 16.987 3.935 -0.727
335 1HD PRO 48 1HD PRO 48 16.129 3.009 -3.149
336 2HD PRO 48 2HD PRO 48 16.171 2.019 -1.674
337 H SER 49 H SER 49 13.761 4.277 -3.739
338 HA SER 49 HA SER 49 12.661 7.013 -3.654
339 1HB SER 49 1HB SER 49 14.551 6.253 -5.125
340 2HB SER 49 2HB SER 49 13.415 5.214 -5.979
341 HG SER 49 HG SER 49 13.849 7.872 -6.220
342 H GLN 50 H GLN 50 11.554 3.757 -4.295
343 HA GLN 50 HA GLN 50 8.790 4.393 -4.179
344 1HB GLN 50 1HB GLN 50 10.132 5.116 -6.618
345 2HB GLN 50 2HB GLN 50 8.968 3.836 -6.965
346 1HG GLN 50 1HG GLN 50 7.199 5.125 -5.832
347 2HG GLN 50 2HG GLN 50 8.358 6.406 -5.474
348 1HE2 GLN 50 1HE2 GLN 50 6.378 4.982 -8.004
349 2HE2 GLN 50 2HE2 GLN 50 6.737 6.136 -9.197
Start of MODEL 6
1 H ASP 1 H ASP 1 -16.785 17.964 -10.583
2 HA ASP 1 HA ASP 1 -18.557 15.782 -11.554
3 1HB ASP 1 1HB ASP 1 -16.505 14.444 -11.645
4 2HB ASP 1 2HB ASP 1 -16.326 15.860 -12.681
5 H SER 2 H SER 2 -16.789 14.082 -9.808
6 HA SER 2 HA SER 2 -16.792 13.329 -7.567
7 1HB SER 2 1HB SER 2 -15.774 15.824 -7.660
8 2HB SER 2 2HB SER 2 -17.173 16.137 -6.638
9 HG SER 2 HG SER 2 -16.073 15.261 -5.089
10 H PHE 3 H PHE 3 -19.313 13.237 -8.828
11 HA PHE 3 HA PHE 3 -21.236 14.341 -6.830
12 1HB PHE 3 1HB PHE 3 -21.351 13.318 -9.662
13 2HB PHE 3 2HB PHE 3 -22.829 13.440 -8.707
14 HD1 PHE 3 HD1 PHE 3 -21.113 15.124 -11.114
15 HD2 PHE 3 HD2 PHE 3 -22.672 15.801 -7.168
16 HE1 PHE 3 HE1 PHE 3 -21.213 17.559 -11.571
17 HE2 PHE 3 HE2 PHE 3 -22.771 18.236 -7.626
18 HZ PHE 3 HZ PHE 3 -22.042 19.115 -9.827
19 H TRP 4 H TRP 4 -19.544 11.490 -7.472
20 HA TRP 4 HA TRP 4 -20.934 9.975 -5.480
21 1HB TRP 4 1HB TRP 4 -22.277 8.541 -6.805
22 2HB TRP 4 2HB TRP 4 -22.537 10.132 -7.516
23 HD1 TRP 4 HD1 TRP 4 -21.053 10.697 -9.757
24 HE1 TRP 4 HE1 TRP 4 -20.270 9.118 -11.640
25 HE3 TRP 4 HE3 TRP 4 -21.561 6.195 -7.401
26 HZ2 TRP 4 HZ2 TRP 4 -19.907 6.315 -12.086
27 HZ3 TRP 4 HZ3 TRP 4 -20.991 4.089 -8.575
28 HH2 TRP 4 HH2 TRP 4 -20.165 4.143 -10.912
29 H ASN 5 H ASN 5 -19.361 8.608 -4.733
30 HA ASN 5 HA ASN 5 -16.994 8.046 -6.382
31 1HB ASN 5 1HB ASN 5 -16.114 7.236 -4.291
32 2HB ASN 5 2HB ASN 5 -17.064 8.671 -3.918
33 1HD2 ASN 5 1HD2 ASN 5 -16.889 5.188 -3.512
34 2HD2 ASN 5 2HD2 ASN 5 -18.240 5.047 -2.493
35 HA PRO 6 HA PRO 6 -18.654 4.154 -7.736
36 1HB PRO 6 1HB PRO 6 -16.366 3.214 -8.906
37 2HB PRO 6 2HB PRO 6 -17.395 4.450 -9.655
38 1HG PRO 6 1HG PRO 6 -14.835 4.763 -8.176
39 2HG PRO 6 2HG PRO 6 -15.432 5.632 -9.597
40 1HD PRO 6 1HD PRO 6 -15.481 6.647 -7.057
41 2HD PRO 6 2HD PRO 6 -16.604 7.138 -8.344
42 H ASN 7 H ASN 7 -15.318 3.186 -7.299
43 HA ASN 7 HA ASN 7 -16.170 1.408 -5.048
44 1HB ASN 7 1HB ASN 7 -15.098 0.785 -7.444
45 2HB ASN 7 2HB ASN 7 -13.610 1.038 -6.530
46 1HD2 ASN 7 1HD2 ASN 7 -14.699 -1.560 -7.521
47 2HD2 ASN 7 2HD2 ASN 7 -14.917 -2.527 -6.142
48 H ALA 8 H ALA 8 -13.754 3.775 -6.086
49 HA ALA 8 HA ALA 8 -12.135 4.967 -4.847
50 1HB ALA 8 1HB ALA 8 -13.397 4.315 -2.269
51 2HB ALA 8 2HB ALA 8 -14.539 4.883 -3.487
52 3HB ALA 8 3HB ALA 8 -13.161 5.887 -3.034
53 H PHE 9 H PHE 9 -10.511 3.277 -5.283
54 HA PHE 9 HA PHE 9 -9.596 1.965 -2.787
55 1HB PHE 9 1HB PHE 9 -11.236 0.576 -4.393
56 2HB PHE 9 2HB PHE 9 -9.723 0.269 -5.245
57 HD1 PHE 9 HD1 PHE 9 -7.708 -0.536 -3.821
58 HD2 PHE 9 HD2 PHE 9 -11.784 -0.666 -2.475
59 HE1 PHE 9 HE1 PHE 9 -7.090 -2.227 -2.117
60 HE2 PHE 9 HE2 PHE 9 -11.167 -2.359 -0.771
61 HZ PHE 9 HZ PHE 9 -8.820 -3.139 -0.591
62 H GLU 10 H GLU 10 -7.638 3.116 -2.837
63 HA GLU 10 HA GLU 10 -6.111 3.681 -5.199
64 1HB GLU 10 1HB GLU 10 -6.002 4.025 -2.337
65 2HB GLU 10 2HB GLU 10 -4.421 3.504 -2.925
66 1HG GLU 10 1HG GLU 10 -4.841 5.304 -4.797
67 2HG GLU 10 2HG GLU 10 -5.978 5.973 -3.626
68 H THR 11 H THR 11 -3.818 2.760 -5.489
69 HA THR 11 HA THR 11 -3.929 -0.066 -5.962
70 HB THR 11 HB THR 11 -1.373 1.486 -5.652
71 HG1 THR 11 HG1 THR 11 -2.004 2.912 -7.036
72 1HG2 THR 11 1HG2 THR 11 -2.428 -0.791 -7.221
73 2HG2 THR 11 2HG2 THR 11 -0.795 -0.492 -6.628
74 3HG2 THR 11 3HG2 THR 11 -1.357 0.303 -8.098
75 H ASP 12 H ASP 12 -1.564 -1.135 -5.034
76 HA ASP 12 HA ASP 12 -2.146 -2.054 -2.434
77 1HB ASP 12 1HB ASP 12 0.246 -2.785 -2.499
78 2HB ASP 12 2HB ASP 12 -0.604 -3.128 -4.006
79 H SER 13 H SER 13 -0.108 -1.697 -0.717
80 HA SER 13 HA SER 13 -0.529 0.948 0.361
81 1HB SER 13 1HB SER 13 1.462 0.045 1.833
82 2HB SER 13 2HB SER 13 -0.110 -0.745 1.921
83 HG SER 13 HG SER 13 0.753 -2.462 1.078
84 H ASP 14 H ASP 14 2.761 -0.242 0.142
85 HA ASP 14 HA ASP 14 3.511 1.843 -1.836
86 1HB ASP 14 1HB ASP 14 4.125 1.793 1.102
87 2HB ASP 14 2HB ASP 14 5.313 2.480 -0.006
88 H LEU 15 H LEU 15 3.653 -0.871 -2.305
89 HA LEU 15 HA LEU 15 6.386 -1.802 -1.627
90 1HB LEU 15 1HB LEU 15 3.913 -2.956 -2.926
91 2HB LEU 15 2HB LEU 15 5.445 -3.827 -2.946
92 HG LEU 15 HG LEU 15 4.199 -4.590 -1.023
93 1HD1 LEU 15 1HD1 LEU 15 5.859 -4.332 0.578
94 2HD1 LEU 15 2HD1 LEU 15 6.059 -2.612 0.244
95 3HD1 LEU 15 3HD1 LEU 15 6.728 -3.811 -0.864
96 1HD2 LEU 15 1HD2 LEU 15 2.970 -3.231 0.366
97 2HD2 LEU 15 2HD2 LEU 15 2.970 -2.186 -1.054
98 3HD2 LEU 15 3HD2 LEU 15 4.122 -1.899 0.251
99 HA PRO 16 HA PRO 16 8.163 -0.823 -5.514
100 1HB PRO 16 1HB PRO 16 9.556 -3.096 -6.153
101 2HB PRO 16 2HB PRO 16 10.067 -1.972 -4.876
102 1HG PRO 16 1HG PRO 16 8.624 -4.569 -4.645
103 2HG PRO 16 2HG PRO 16 9.914 -3.901 -3.631
104 1HD PRO 16 1HD PRO 16 7.300 -3.862 -2.905
105 2HD PRO 16 2HD PRO 16 8.464 -2.618 -2.397
106 H ALA 17 H ALA 17 8.470 -1.907 -7.864
107 HA ALA 17 HA ALA 17 5.787 -2.593 -8.787
108 1HB ALA 17 1HB ALA 17 6.949 -1.257 -10.285
109 2HB ALA 17 2HB ALA 17 7.316 -2.844 -10.961
110 3HB ALA 17 3HB ALA 17 8.493 -2.031 -9.930
111 H GLY 18 H GLY 18 5.003 -4.643 -9.075
112 1HA GLY 18 1HA GLY 18 5.191 -6.928 -9.850
113 2HA GLY 18 2HA GLY 18 6.921 -6.868 -9.517
114 H TRP 19 H TRP 19 5.405 -5.434 -6.932
115 HA TRP 19 HA TRP 19 5.322 -8.035 -5.441
116 1HB TRP 19 1HB TRP 19 6.462 -5.318 -4.883
117 2HB TRP 19 2HB TRP 19 5.915 -6.301 -3.527
118 HD1 TRP 19 HD1 TRP 19 8.715 -5.923 -5.969
119 HE1 TRP 19 HE1 TRP 19 10.462 -7.783 -5.602
120 HE3 TRP 19 HE3 TRP 19 6.121 -8.951 -2.779
121 HZ2 TRP 19 HZ2 TRP 19 10.724 -10.233 -4.145
122 HZ3 TRP 19 HZ3 TRP 19 7.141 -11.039 -1.919
123 HH2 TRP 19 HH2 TRP 19 9.437 -11.683 -2.596
124 H MET 20 H MET 20 3.406 -8.451 -4.396
125 HA MET 20 HA MET 20 1.418 -6.215 -4.166
126 1HB MET 20 1HB MET 20 0.874 -9.176 -4.485
127 2HB MET 20 2HB MET 20 -0.258 -7.847 -4.722
128 1HG MET 20 1HG MET 20 2.147 -8.525 -6.430
129 2HG MET 20 2HG MET 20 0.450 -8.581 -6.905
130 1HE MET 20 1HE MET 20 -0.969 -5.451 -6.759
131 2HE MET 20 2HE MET 20 -0.942 -7.127 -7.300
132 3HE MET 20 3HE MET 20 -0.450 -5.846 -8.404
133 H ARG 21 H ARG 21 -0.171 -6.556 -2.370
134 HA ARG 21 HA ARG 21 1.058 -8.005 -0.046
135 1HB ARG 21 1HB ARG 21 1.173 -5.530 0.073
136 2HB ARG 21 2HB ARG 21 -0.576 -5.445 -0.138
137 1HG ARG 21 1HG ARG 21 -0.808 -6.874 1.933
138 2HG ARG 21 2HG ARG 21 0.927 -6.680 2.183
139 1HD ARG 21 1HD ARG 21 0.654 -4.586 3.019
140 2HD ARG 21 2HD ARG 21 -0.409 -4.120 1.677
141 HE ARG 21 HE ARG 21 -1.729 -5.982 3.459
142 1HH1 ARG 21 1HH1 ARG 21 -2.024 -2.991 2.120
143 2HH1 ARG 21 2HH1 ARG 21 -2.736 -2.216 3.495
144 1HH2 ARG 21 1HH2 ARG 21 -2.116 -4.866 5.643
145 2HH2 ARG 21 2HH2 ARG 21 -2.790 -3.278 5.490
146 H VAL 22 H VAL 22 -0.220 -9.805 0.334
147 HA VAL 22 HA VAL 22 -3.181 -9.511 -0.049
148 HB VAL 22 HB VAL 22 -1.563 -12.062 0.056
149 1HG1 VAL 22 1HG1 VAL 22 -4.351 -11.312 -0.405
150 2HG1 VAL 22 2HG1 VAL 22 -3.661 -12.893 -0.038
151 3HG1 VAL 22 3HG1 VAL 22 -3.698 -12.313 -1.702
152 1HG2 VAL 22 1HG2 VAL 22 -0.523 -11.147 -1.788
153 2HG2 VAL 22 2HG2 VAL 22 -1.854 -10.039 -2.118
154 3HG2 VAL 22 3HG2 VAL 22 -1.983 -11.736 -2.581
155 H GLN 23 H GLN 23 -4.519 -10.724 1.502
156 HA GLN 23 HA GLN 23 -3.227 -11.001 4.189
157 1HB GLN 23 1HB GLN 23 -5.702 -10.415 4.867
158 2HB GLN 23 2HB GLN 23 -4.615 -9.127 4.362
159 1HG GLN 23 1HG GLN 23 -5.522 -9.265 2.069
160 2HG GLN 23 2HG GLN 23 -6.614 -10.553 2.580
161 1HE2 GLN 23 1HE2 GLN 23 -5.702 -7.365 4.022
162 2HE2 GLN 23 2HE2 GLN 23 -7.302 -6.842 4.234
163 H ASP 24 H ASP 24 -2.942 -13.288 4.030
164 HA ASP 24 HA ASP 24 -5.320 -14.956 3.411
165 1HB ASP 24 1HB ASP 24 -2.478 -15.104 3.134
166 2HB ASP 24 2HB ASP 24 -3.014 -16.462 4.118
167 H THR 25 H THR 25 -5.525 -16.957 4.927
168 HA THR 25 HA THR 25 -6.249 -16.149 7.546
169 HB THR 25 HB THR 25 -6.056 -18.741 7.880
170 HG1 THR 25 HG1 THR 25 -5.416 -19.848 6.191
171 1HG2 THR 25 1HG2 THR 25 -8.231 -18.166 7.484
172 2HG2 THR 25 2HG2 THR 25 -7.908 -18.889 5.909
173 3HG2 THR 25 3HG2 THR 25 -7.815 -17.140 6.111
174 H SER 26 H SER 26 -3.287 -17.806 6.412
175 HA SER 26 HA SER 26 -2.023 -18.118 8.940
176 1HB SER 26 1HB SER 26 -0.324 -18.899 7.614
177 2HB SER 26 2HB SER 26 -1.530 -18.762 6.337
178 HG SER 26 HG SER 26 -0.712 -16.728 5.844
179 H GLY 27 H GLY 27 -2.202 -15.351 6.754
180 1HA GLY 27 1HA GLY 27 -1.939 -13.276 8.482
181 2HA GLY 27 2HA GLY 27 -0.263 -13.806 8.337
182 H THR 28 H THR 28 -0.784 -11.285 7.477
183 HA THR 28 HA THR 28 -1.461 -11.211 4.631
184 HB THR 28 HB THR 28 -0.174 -9.156 6.456
185 HG1 THR 28 HG1 THR 28 -2.200 -8.593 7.007
186 1HG2 THR 28 1HG2 THR 28 -0.977 -7.527 4.873
187 2HG2 THR 28 2HG2 THR 28 -1.848 -8.761 3.966
188 3HG2 THR 28 3HG2 THR 28 -0.084 -8.747 3.966
189 H TYR 29 H TYR 29 -0.014 -11.929 3.124
190 HA TYR 29 HA TYR 29 2.909 -11.577 3.693
191 1HB TYR 29 1HB TYR 29 3.174 -13.538 2.230
192 2HB TYR 29 2HB TYR 29 2.037 -13.896 3.523
193 HD1 TYR 29 HD1 TYR 29 2.436 -13.231 -0.071
194 HD2 TYR 29 HD2 TYR 29 -0.363 -14.118 3.064
195 HE1 TYR 29 HE1 TYR 29 0.712 -13.777 -1.766
196 HE2 TYR 29 HE2 TYR 29 -2.088 -14.664 1.367
197 HH TYR 29 HH TYR 29 -1.730 -15.505 -1.412
198 H TYR 30 H TYR 30 3.757 -12.089 1.045
199 HA TYR 30 HA TYR 30 2.566 -9.823 -0.515
200 1HB TYR 30 1HB TYR 30 5.492 -10.476 -0.024
201 2HB TYR 30 2HB TYR 30 4.902 -9.169 -1.054
202 HD1 TYR 30 HD1 TYR 30 5.659 -10.195 2.327
203 HD2 TYR 30 HD2 TYR 30 3.451 -7.352 -0.017
204 HE1 TYR 30 HE1 TYR 30 5.455 -8.718 4.309
205 HE2 TYR 30 HE2 TYR 30 3.247 -5.876 1.965
206 HH TYR 30 HH TYR 30 3.713 -5.609 4.112
207 H TRP 31 H TRP 31 2.492 -10.199 -2.760
208 HA TRP 31 HA TRP 31 3.354 -12.932 -3.634
209 1HB TRP 31 1HB TRP 31 0.973 -12.613 -3.695
210 2HB TRP 31 2HB TRP 31 1.143 -11.050 -4.492
211 HD1 TRP 31 HD1 TRP 31 3.421 -13.773 -5.714
212 HE1 TRP 31 HE1 TRP 31 2.658 -14.559 -8.049
213 HE3 TRP 31 HE3 TRP 31 -1.088 -11.398 -6.015
214 HZ2 TRP 31 HZ2 TRP 31 0.428 -14.224 -9.810
215 HZ3 TRP 31 HZ3 TRP 31 -2.511 -11.648 -8.029
216 HH2 TRP 31 HH2 TRP 31 -1.759 -13.057 -9.925
217 H HIS 32 H HIS 32 5.017 -12.963 -5.052
218 HA HIS 32 HA HIS 32 5.965 -10.482 -6.320
219 1HB HIS 32 1HB HIS 32 7.219 -12.530 -5.176
220 2HB HIS 32 2HB HIS 32 7.122 -13.215 -6.795
221 HD1 HIS 32 HD1 HIS 32 9.894 -12.737 -6.189
222 HD2 HIS 32 HD2 HIS 32 7.497 -9.550 -7.398
223 HE1 HIS 32 HE1 HIS 32 11.466 -10.935 -7.023
224 H ILE 33 H ILE 33 4.477 -9.995 -7.956
225 HA ILE 33 HA ILE 33 3.167 -11.763 -9.717
226 HB ILE 33 HB ILE 33 4.133 -8.923 -10.147
227 1HG1 ILE 33 1HG1 ILE 33 1.724 -10.117 -8.751
228 2HG1 ILE 33 2HG1 ILE 33 2.897 -8.970 -8.105
229 1HG2 ILE 33 1HG2 ILE 33 3.308 -10.071 -12.197
230 2HG2 ILE 33 2HG2 ILE 33 2.243 -8.758 -11.695
231 3HG2 ILE 33 3HG2 ILE 33 1.797 -10.431 -11.363
232 1HD1 ILE 33 1HD1 ILE 33 0.985 -8.382 -10.384
233 2HD1 ILE 33 2HD1 ILE 33 2.103 -7.239 -9.639
234 3HD1 ILE 33 3HD1 ILE 33 0.744 -7.876 -8.712
235 HA PRO 34 HA PRO 34 6.735 -10.980 -12.850
236 1HB PRO 34 1HB PRO 34 9.208 -10.440 -11.803
237 2HB PRO 34 2HB PRO 34 8.053 -9.183 -12.286
238 1HG PRO 34 1HG PRO 34 8.671 -10.244 -9.576
239 2HG PRO 34 2HG PRO 34 8.339 -8.583 -10.090
240 1HD PRO 34 1HD PRO 34 6.508 -10.151 -8.854
241 2HD PRO 34 2HD PRO 34 6.065 -8.868 -9.998
242 H THR 35 H THR 35 8.293 -12.173 -9.826
243 HA THR 35 HA THR 35 9.316 -14.527 -11.279
244 HB THR 35 HB THR 35 10.482 -14.929 -9.186
245 HG1 THR 35 HG1 THR 35 9.623 -14.338 -7.378
246 1HG2 THR 35 1HG2 THR 35 10.374 -12.238 -10.379
247 2HG2 THR 35 2HG2 THR 35 11.768 -13.264 -10.037
248 3HG2 THR 35 3HG2 THR 35 11.057 -12.284 -8.754
249 H GLY 36 H GLY 36 7.152 -13.951 -8.488
250 1HA GLY 36 1HA GLY 36 4.993 -15.224 -8.461
251 2HA GLY 36 2HA GLY 36 5.908 -16.612 -9.055
252 H THR 37 H THR 37 7.993 -15.196 -7.003
253 HA THR 37 HA THR 37 7.622 -17.181 -4.920
254 HB THR 37 HB THR 37 9.294 -14.681 -4.760
255 HG1 THR 37 HG1 THR 37 10.816 -16.280 -5.903
256 1HG2 THR 37 1HG2 THR 37 10.254 -15.782 -3.065
257 2HG2 THR 37 2HG2 THR 37 10.608 -17.148 -4.121
258 3HG2 THR 37 3HG2 THR 37 9.068 -17.072 -3.266
259 H THR 38 H THR 38 7.211 -16.658 -2.639
260 HA THR 38 HA THR 38 5.563 -14.171 -2.274
261 HB THR 38 HB THR 38 4.588 -15.854 -0.411
262 HG1 THR 38 HG1 THR 38 5.458 -17.733 -0.733
263 1HG2 THR 38 1HG2 THR 38 2.877 -16.518 -2.119
264 2HG2 THR 38 2HG2 THR 38 3.918 -15.828 -3.365
265 3HG2 THR 38 3HG2 THR 38 3.232 -14.790 -2.114
266 H GLN 39 H GLN 39 5.629 -13.303 -0.033
267 HA GLN 39 HA GLN 39 7.958 -14.213 1.602
268 1HB GLN 39 1HB GLN 39 7.458 -11.545 0.297
269 2HB GLN 39 2HB GLN 39 8.410 -11.635 1.781
270 1HG GLN 39 1HG GLN 39 9.922 -13.269 0.712
271 2HG GLN 39 2HG GLN 39 8.976 -13.170 -0.774
272 1HE2 GLN 39 1HE2 GLN 39 11.456 -12.472 -1.330
273 2HE2 GLN 39 2HE2 GLN 39 11.702 -10.793 -1.351
274 H TRP 40 H TRP 40 7.889 -12.419 3.629
275 HA TRP 40 HA TRP 40 5.025 -12.234 4.498
276 1HB TRP 40 1HB TRP 40 7.392 -13.364 6.030
277 2HB TRP 40 2HB TRP 40 5.766 -13.165 6.684
278 HD1 TRP 40 HD1 TRP 40 7.872 -15.463 4.622
279 HE1 TRP 40 HE1 TRP 40 6.459 -17.462 3.816
280 HE3 TRP 40 HE3 TRP 40 3.207 -13.814 5.888
281 HZ2 TRP 40 HZ2 TRP 40 3.711 -18.258 3.720
282 HZ3 TRP 40 HZ3 TRP 40 1.212 -15.210 5.428
283 HH2 TRP 40 HH2 TRP 40 1.458 -17.428 4.347
284 H GLU 41 H GLU 41 7.836 -10.586 3.939
285 HA GLU 41 HA GLU 41 7.178 -8.538 6.028
286 1HB GLU 41 1HB GLU 41 9.903 -9.500 5.091
287 2HB GLU 41 2HB GLU 41 9.627 -8.211 6.263
288 1HG GLU 41 1HG GLU 41 8.127 -10.171 7.377
289 2HG GLU 41 2HG GLU 41 9.364 -11.150 6.588
290 HA PRO 42 HA PRO 42 7.300 -5.635 2.743
291 1HB PRO 42 1HB PRO 42 8.444 -3.454 3.940
292 2HB PRO 42 2HB PRO 42 6.790 -3.994 4.292
293 1HG PRO 42 1HG PRO 42 9.292 -4.431 5.845
294 2HG PRO 42 2HG PRO 42 7.655 -4.077 6.419
295 1HD PRO 42 1HD PRO 42 8.746 -6.571 6.457
296 2HD PRO 42 2HD PRO 42 7.000 -6.269 6.309
297 HA PRO 43 HA PRO 43 11.484 -6.194 1.265
298 1HB PRO 43 1HB PRO 43 10.928 -5.674 -1.358
299 2HB PRO 43 2HB PRO 43 10.536 -7.219 -0.579
300 1HG PRO 43 1HG PRO 43 8.763 -4.975 -1.314
301 2HG PRO 43 2HG PRO 43 8.417 -6.706 -1.214
302 1HD PRO 43 1HD PRO 43 7.725 -4.772 0.685
303 2HD PRO 43 2HD PRO 43 7.708 -6.531 0.926
304 H GLY 44 H GLY 44 11.522 -3.910 2.577
305 1HA GLY 44 1HA GLY 44 12.278 -1.690 2.593
306 2HA GLY 44 2HA GLY 44 13.061 -2.089 1.064
307 H ARG 45 H ARG 45 10.636 -0.216 2.498
308 HA ARG 45 HA ARG 45 8.670 -0.022 0.447
309 1HB ARG 45 1HB ARG 45 8.076 2.016 1.596
310 2HB ARG 45 2HB ARG 45 8.663 0.890 2.819
311 1HG ARG 45 1HG ARG 45 10.241 2.373 3.418
312 2HG ARG 45 2HG ARG 45 10.922 2.290 1.792
313 1HD ARG 45 1HD ARG 45 10.300 4.462 1.551
314 2HD ARG 45 2HD ARG 45 8.621 3.885 1.519
315 HE ARG 45 HE ARG 45 9.534 3.995 4.235
316 1HH1 ARG 45 1HH1 ARG 45 10.328 6.607 2.638
317 2HH1 ARG 45 2HH1 ARG 45 9.038 7.644 3.150
318 1HH2 ARG 45 1HH2 ARG 45 7.123 5.060 4.448
319 2HH2 ARG 45 2HH2 ARG 45 7.222 6.768 4.175
320 H ALA 46 H ALA 46 8.451 1.634 -1.220
321 HA ALA 46 HA ALA 46 9.292 2.828 -3.082
322 1HB ALA 46 1HB ALA 46 9.578 4.399 -1.166
323 2HB ALA 46 2HB ALA 46 10.822 4.624 -2.397
324 3HB ALA 46 3HB ALA 46 11.199 3.755 -0.910
325 H SER 47 H SER 47 11.835 3.548 -3.850
326 HA SER 47 HA SER 47 13.759 1.379 -3.515
327 1HB SER 47 1HB SER 47 13.520 0.635 -5.916
328 2HB SER 47 2HB SER 47 12.124 0.254 -4.913
329 HG SER 47 HG SER 47 10.965 1.692 -5.969
330 HA PRO 48 HA PRO 48 16.151 4.855 -4.867
331 1HB PRO 48 1HB PRO 48 18.579 3.596 -4.928
332 2HB PRO 48 2HB PRO 48 17.789 4.099 -3.420
333 1HG PRO 48 1HG PRO 48 17.940 1.405 -4.670
334 2HG PRO 48 2HG PRO 48 18.007 1.863 -2.962
335 1HD PRO 48 1HD PRO 48 15.780 0.839 -4.178
336 2HD PRO 48 2HD PRO 48 15.732 1.893 -2.747
337 H SER 49 H SER 49 18.073 5.044 -6.642
338 HA SER 49 HA SER 49 17.263 3.423 -9.035
339 1HB SER 49 1HB SER 49 16.330 5.763 -8.925
340 2HB SER 49 2HB SER 49 17.984 6.369 -8.930
341 HG SER 49 HG SER 49 16.809 6.149 -11.027
342 H GLN 50 H GLN 50 19.436 2.585 -7.562
343 HA GLN 50 HA GLN 50 21.856 3.758 -8.854
344 1HB GLN 50 1HB GLN 50 23.034 2.668 -7.044
345 2HB GLN 50 2HB GLN 50 21.615 3.452 -6.348
346 1HG GLN 50 1HG GLN 50 20.416 1.199 -6.692
347 2HG GLN 50 2HG GLN 50 22.024 0.519 -6.944
348 1HE2 GLN 50 1HE2 GLN 50 23.369 2.300 -5.013
349 2HE2 GLN 50 2HE2 GLN 50 22.875 1.800 -3.468
Start of MODEL 7
1 H ASP 1 H ASP 1 16.522 5.716 -13.391
2 HA ASP 1 HA ASP 1 16.890 6.466 -15.662
3 1HB ASP 1 1HB ASP 1 17.128 3.572 -15.907
4 2HB ASP 1 2HB ASP 1 16.050 4.235 -17.136
5 H SER 2 H SER 2 14.887 5.653 -17.528
6 HA SER 2 HA SER 2 12.442 6.389 -15.987
7 1HB SER 2 1HB SER 2 13.572 7.453 -18.200
8 2HB SER 2 2HB SER 2 12.511 6.272 -18.962
9 HG SER 2 HG SER 2 10.832 7.189 -17.558
10 H PHE 3 H PHE 3 12.403 4.007 -15.253
11 HA PHE 3 HA PHE 3 11.318 2.210 -17.387
12 1HB PHE 3 1HB PHE 3 13.212 1.942 -15.273
13 2HB PHE 3 2HB PHE 3 11.837 0.911 -14.880
14 HD1 PHE 3 HD1 PHE 3 11.253 -0.997 -16.250
15 HD2 PHE 3 HD2 PHE 3 14.474 1.614 -17.374
16 HE1 PHE 3 HE1 PHE 3 12.006 -2.652 -17.937
17 HE2 PHE 3 HE2 PHE 3 15.227 -0.040 -19.061
18 HZ PHE 3 HZ PHE 3 13.992 -2.173 -19.343
19 H TRP 4 H TRP 4 10.839 2.114 -13.865
20 HA TRP 4 HA TRP 4 8.091 1.385 -14.028
21 1HB TRP 4 1HB TRP 4 9.659 1.041 -12.114
22 2HB TRP 4 2HB TRP 4 9.606 2.775 -11.796
23 HD1 TRP 4 HD1 TRP 4 7.871 3.472 -10.086
24 HE1 TRP 4 HE1 TRP 4 5.648 2.509 -9.203
25 HE3 TRP 4 HE3 TRP 4 7.458 -0.661 -13.057
26 HZ2 TRP 4 HZ2 TRP 4 3.922 0.280 -9.693
27 HZ3 TRP 4 HZ3 TRP 4 5.517 -2.185 -12.829
28 HH2 TRP 4 HH2 TRP 4 3.750 -1.720 -11.152
29 H ASN 5 H ASN 5 6.689 2.776 -15.113
30 HA ASN 5 HA ASN 5 6.899 5.675 -14.947
31 1HB ASN 5 1HB ASN 5 5.547 3.652 -16.453
32 2HB ASN 5 2HB ASN 5 4.332 4.773 -15.836
33 1HD2 ASN 5 1HD2 ASN 5 3.918 6.173 -17.573
34 2HD2 ASN 5 2HD2 ASN 5 5.116 6.999 -18.446
35 HA PRO 6 HA PRO 6 4.703 5.645 -11.023
36 1HB PRO 6 1HB PRO 6 5.076 8.309 -10.513
37 2HB PRO 6 2HB PRO 6 6.327 7.084 -10.218
38 1HG PRO 6 1HG PRO 6 6.038 8.984 -12.490
39 2HG PRO 6 2HG PRO 6 7.498 8.448 -11.646
40 1HD PRO 6 1HD PRO 6 6.723 7.480 -14.075
41 2HD PRO 6 2HD PRO 6 7.690 6.550 -12.910
42 H ASN 7 H ASN 7 4.184 7.674 -13.836
43 HA ASN 7 HA ASN 7 1.569 8.654 -12.866
44 1HB ASN 7 1HB ASN 7 3.572 9.525 -14.606
45 2HB ASN 7 2HB ASN 7 2.249 9.066 -15.678
46 1HD2 ASN 7 1HD2 ASN 7 2.356 10.616 -12.412
47 2HD2 ASN 7 2HD2 ASN 7 1.358 11.920 -12.841
48 H ALA 8 H ALA 8 1.338 5.955 -12.858
49 HA ALA 8 HA ALA 8 -0.516 5.445 -15.116
50 1HB ALA 8 1HB ALA 8 1.230 3.162 -14.676
51 2HB ALA 8 2HB ALA 8 2.163 4.593 -15.114
52 3HB ALA 8 3HB ALA 8 0.880 4.016 -16.179
53 H PHE 9 H PHE 9 -0.695 2.617 -14.541
54 HA PHE 9 HA PHE 9 -2.645 2.512 -12.520
55 1HB PHE 9 1HB PHE 9 -0.685 0.368 -13.403
56 2HB PHE 9 2HB PHE 9 -2.256 0.085 -12.656
57 HD1 PHE 9 HD1 PHE 9 -0.576 0.247 -15.724
58 HD2 PHE 9 HD2 PHE 9 -4.266 1.418 -13.862
59 HE1 PHE 9 HE1 PHE 9 -1.660 0.374 -17.951
60 HE2 PHE 9 HE2 PHE 9 -5.350 1.545 -16.089
61 HZ PHE 9 HZ PHE 9 -4.046 1.024 -18.134
62 H GLU 10 H GLU 10 -2.448 2.799 -10.333
63 HA GLU 10 HA GLU 10 0.095 3.044 -8.996
64 1HB GLU 10 1HB GLU 10 -2.656 3.534 -8.538
65 2HB GLU 10 2HB GLU 10 -2.128 2.464 -7.238
66 1HG GLU 10 1HG GLU 10 -0.351 3.969 -6.617
67 2HG GLU 10 2HG GLU 10 -0.628 4.968 -8.044
68 H THR 11 H THR 11 0.895 1.612 -7.274
69 HA THR 11 HA THR 11 0.471 -1.249 -7.928
70 HB THR 11 HB THR 11 2.368 -0.248 -5.839
71 HG1 THR 11 HG1 THR 11 3.128 1.155 -7.185
72 1HG2 THR 11 1HG2 THR 11 1.976 -2.646 -7.096
73 2HG2 THR 11 2HG2 THR 11 3.497 -2.152 -6.351
74 3HG2 THR 11 3HG2 THR 11 3.254 -1.941 -8.085
75 H ASP 12 H ASP 12 1.036 -2.429 -5.479
76 HA ASP 12 HA ASP 12 -1.489 -2.465 -4.155
77 1HB ASP 12 1HB ASP 12 0.945 -3.857 -4.152
78 2HB ASP 12 2HB ASP 12 0.772 -3.264 -2.500
79 H SER 13 H SER 13 -0.895 -2.304 -1.421
80 HA SER 13 HA SER 13 -1.415 0.312 -0.680
81 1HB SER 13 1HB SER 13 -0.557 -2.137 0.517
82 2HB SER 13 2HB SER 13 0.330 -0.812 1.260
83 HG SER 13 HG SER 13 -1.514 -0.809 2.373
84 H ASP 14 H ASP 14 1.807 -0.911 0.123
85 HA ASP 14 HA ASP 14 3.039 1.466 -1.201
86 1HB ASP 14 1HB ASP 14 2.452 1.213 1.538
87 2HB ASP 14 2HB ASP 14 4.185 0.907 1.411
88 H LEU 15 H LEU 15 3.181 -1.181 -2.151
89 HA LEU 15 HA LEU 15 5.825 -2.227 -1.250
90 1HB LEU 15 1HB LEU 15 3.474 -3.252 -2.844
91 2HB LEU 15 2HB LEU 15 5.018 -4.098 -2.879
92 HG LEU 15 HG LEU 15 3.557 -5.039 -1.134
93 1HD1 LEU 15 1HD1 LEU 15 6.200 -4.029 -0.777
94 2HD1 LEU 15 2HD1 LEU 15 5.450 -5.409 0.024
95 3HD1 LEU 15 3HD1 LEU 15 5.335 -3.803 0.743
96 1HD2 LEU 15 1HD2 LEU 15 3.758 -2.415 0.336
97 2HD2 LEU 15 2HD2 LEU 15 2.635 -3.747 0.605
98 3HD2 LEU 15 3HD2 LEU 15 2.442 -2.701 -0.802
99 HA PRO 16 HA PRO 16 7.938 -0.892 -4.860
100 1HB PRO 16 1HB PRO 16 9.278 -3.139 -5.690
101 2HB PRO 16 2HB PRO 16 9.752 -2.196 -4.262
102 1HG PRO 16 1HG PRO 16 8.165 -4.716 -4.419
103 2HG PRO 16 2HG PRO 16 9.445 -4.262 -3.282
104 1HD PRO 16 1HD PRO 16 6.835 -4.142 -2.625
105 2HD PRO 16 2HD PRO 16 8.025 -2.988 -1.985
106 H ALA 17 H ALA 17 8.515 -2.303 -7.243
107 HA ALA 17 HA ALA 17 5.818 -2.388 -8.445
108 1HB ALA 17 1HB ALA 17 8.520 -1.729 -9.194
109 2HB ALA 17 2HB ALA 17 7.027 -1.394 -10.070
110 3HB ALA 17 3HB ALA 17 7.877 -2.917 -10.326
111 H GLY 18 H GLY 18 4.776 -4.261 -8.929
112 1HA GLY 18 1HA GLY 18 4.602 -6.496 -9.766
113 2HA GLY 18 2HA GLY 18 6.332 -6.709 -9.500
114 H TRP 19 H TRP 19 5.844 -5.473 -6.692
115 HA TRP 19 HA TRP 19 5.302 -8.085 -5.410
116 1HB TRP 19 1HB TRP 19 6.454 -5.420 -4.676
117 2HB TRP 19 2HB TRP 19 5.854 -6.452 -3.375
118 HD1 TRP 19 HD1 TRP 19 8.764 -5.975 -5.636
119 HE1 TRP 19 HE1 TRP 19 10.441 -7.911 -5.356
120 HE3 TRP 19 HE3 TRP 19 5.922 -9.213 -2.893
121 HZ2 TRP 19 HZ2 TRP 19 10.561 -10.497 -4.133
122 HZ3 TRP 19 HZ3 TRP 19 6.841 -11.403 -2.187
123 HH2 TRP 19 HH2 TRP 19 9.155 -12.048 -2.804
124 H MET 20 H MET 20 3.429 -8.552 -4.286
125 HA MET 20 HA MET 20 1.382 -6.367 -4.080
126 1HB MET 20 1HB MET 20 0.970 -9.356 -4.360
127 2HB MET 20 2HB MET 20 -0.258 -8.104 -4.505
128 1HG MET 20 1HG MET 20 2.120 -7.926 -6.301
129 2HG MET 20 2HG MET 20 0.904 -9.151 -6.659
130 1HE MET 20 1HE MET 20 0.895 -5.215 -5.472
131 2HE MET 20 2HE MET 20 0.803 -4.688 -7.151
132 3HE MET 20 3HE MET 20 2.096 -5.773 -6.645
133 H ARG 21 H ARG 21 -0.188 -6.714 -2.289
134 HA ARG 21 HA ARG 21 1.072 -8.050 0.086
135 1HB ARG 21 1HB ARG 21 0.964 -5.475 -0.086
136 2HB ARG 21 2HB ARG 21 -0.780 -5.656 0.112
137 1HG ARG 21 1HG ARG 21 -0.505 -6.713 2.260
138 2HG ARG 21 2HG ARG 21 1.242 -6.828 2.038
139 1HD ARG 21 1HD ARG 21 1.496 -4.428 2.173
140 2HD ARG 21 2HD ARG 21 -0.262 -4.190 2.132
141 HE ARG 21 HE ARG 21 0.430 -5.972 4.278
142 1HH1 ARG 21 1HH1 ARG 21 -1.123 -3.169 3.840
143 2HH1 ARG 21 2HH1 ARG 21 -0.465 -2.319 5.198
144 1HH2 ARG 21 1HH2 ARG 21 2.010 -4.669 5.806
145 2HH2 ARG 21 2HH2 ARG 21 1.309 -3.169 6.312
146 H VAL 22 H VAL 22 -0.146 -9.944 0.274
147 HA VAL 22 HA VAL 22 -3.106 -9.734 -0.095
148 HB VAL 22 HB VAL 22 -1.416 -12.220 0.171
149 1HG1 VAL 22 1HG1 VAL 22 -3.453 -12.641 -1.648
150 2HG1 VAL 22 2HG1 VAL 22 -4.200 -11.570 -0.463
151 3HG1 VAL 22 3HG1 VAL 22 -3.493 -13.100 0.054
152 1HG2 VAL 22 1HG2 VAL 22 -1.497 -10.241 -2.001
153 2HG2 VAL 22 2HG2 VAL 22 -1.884 -11.877 -2.536
154 3HG2 VAL 22 3HG2 VAL 22 -0.352 -11.554 -1.725
155 H GLN 23 H GLN 23 -4.459 -10.867 1.479
156 HA GLN 23 HA GLN 23 -3.219 -11.031 4.199
157 1HB GLN 23 1HB GLN 23 -5.700 -10.411 4.814
158 2HB GLN 23 2HB GLN 23 -4.610 -9.146 4.255
159 1HG GLN 23 1HG GLN 23 -5.495 -9.392 1.966
160 2HG GLN 23 2HG GLN 23 -6.576 -10.672 2.519
161 1HE2 GLN 23 1HE2 GLN 23 -6.096 -7.203 2.410
162 2HE2 GLN 23 2HE2 GLN 23 -7.553 -6.782 3.175
163 H ASP 24 H ASP 24 -2.908 -13.377 3.738
164 HA ASP 24 HA ASP 24 -5.217 -15.075 3.213
165 1HB ASP 24 1HB ASP 24 -2.373 -15.220 3.302
166 2HB ASP 24 2HB ASP 24 -3.012 -16.475 4.363
167 H THR 25 H THR 25 -5.953 -16.748 4.783
168 HA THR 25 HA THR 25 -6.791 -15.719 7.274
169 HB THR 25 HB THR 25 -7.138 -18.204 7.763
170 HG1 THR 25 HG1 THR 25 -5.955 -19.491 6.636
171 1HG2 THR 25 1HG2 THR 25 -8.995 -17.251 6.752
172 2HG2 THR 25 2HG2 THR 25 -8.551 -18.454 5.540
173 3HG2 THR 25 3HG2 THR 25 -8.093 -16.765 5.317
174 H SER 26 H SER 26 -3.711 -17.042 6.350
175 HA SER 26 HA SER 26 -2.855 -17.679 9.087
176 1HB SER 26 1HB SER 26 -1.118 -18.691 7.980
177 2HB SER 26 2HB SER 26 -2.181 -18.512 6.588
178 HG SER 26 HG SER 26 -1.124 -16.574 6.103
179 H GLY 27 H GLY 27 -2.521 -15.019 6.793
180 1HA GLY 27 1HA GLY 27 -2.144 -12.945 8.560
181 2HA GLY 27 2HA GLY 27 -0.521 -13.617 8.397
182 H THR 28 H THR 28 -0.788 -11.070 7.538
183 HA THR 28 HA THR 28 -1.435 -11.016 4.659
184 HB THR 28 HB THR 28 -0.152 -8.858 6.344
185 HG1 THR 28 HG1 THR 28 -2.016 -8.499 7.293
186 1HG2 THR 28 1HG2 THR 28 -0.794 -8.899 3.706
187 2HG2 THR 28 2HG2 THR 28 -0.810 -7.434 4.688
188 3HG2 THR 28 3HG2 THR 28 -2.310 -8.313 4.390
189 H TYR 29 H TYR 29 0.103 -11.810 3.264
190 HA TYR 29 HA TYR 29 2.982 -11.337 3.966
191 1HB TYR 29 1HB TYR 29 3.423 -13.386 2.738
192 2HB TYR 29 2HB TYR 29 2.125 -13.695 3.887
193 HD1 TYR 29 HD1 TYR 29 -0.254 -13.763 3.099
194 HD2 TYR 29 HD2 TYR 29 3.058 -13.501 0.379
195 HE1 TYR 29 HE1 TYR 29 -1.729 -14.473 1.235
196 HE2 TYR 29 HE2 TYR 29 1.584 -14.208 -1.486
197 HH TYR 29 HH TYR 29 -1.033 -15.739 -1.278
198 H TYR 30 H TYR 30 3.920 -12.055 1.342
199 HA TYR 30 HA TYR 30 2.828 -9.819 -0.337
200 1HB TYR 30 1HB TYR 30 5.676 -10.554 0.387
201 2HB TYR 30 2HB TYR 30 5.283 -9.452 -0.933
202 HD1 TYR 30 HD1 TYR 30 5.903 -9.712 2.559
203 HD2 TYR 30 HD2 TYR 30 3.657 -7.481 -0.344
204 HE1 TYR 30 HE1 TYR 30 5.652 -7.853 4.182
205 HE2 TYR 30 HE2 TYR 30 3.405 -5.623 1.278
206 HH TYR 30 HH TYR 30 3.641 -5.797 4.322
207 H TRP 31 H TRP 31 2.821 -10.244 -2.581
208 HA TRP 31 HA TRP 31 3.606 -13.031 -3.372
209 1HB TRP 31 1HB TRP 31 1.224 -12.759 -3.402
210 2HB TRP 31 2HB TRP 31 1.348 -11.187 -4.188
211 HD1 TRP 31 HD1 TRP 31 3.567 -13.974 -5.449
212 HE1 TRP 31 HE1 TRP 31 2.766 -14.711 -7.787
213 HE3 TRP 31 HE3 TRP 31 -0.837 -11.403 -5.725
214 HZ2 TRP 31 HZ2 TRP 31 0.550 -14.268 -9.542
215 HZ3 TRP 31 HZ3 TRP 31 -2.272 -11.578 -7.738
216 HH2 TRP 31 HH2 TRP 31 -1.584 -13.006 -9.645
217 H HIS 32 H HIS 32 5.291 -13.056 -4.787
218 HA HIS 32 HA HIS 32 6.161 -10.605 -6.161
219 1HB HIS 32 1HB HIS 32 7.470 -12.601 -5.007
220 2HB HIS 32 2HB HIS 32 7.315 -13.346 -6.597
221 HD1 HIS 32 HD1 HIS 32 10.065 -12.350 -5.406
222 HD2 HIS 32 HD2 HIS 32 7.689 -10.192 -8.063
223 HE1 HIS 32 HE1 HIS 32 11.601 -10.703 -6.565
224 H ILE 33 H ILE 33 4.650 -10.168 -7.801
225 HA ILE 33 HA ILE 33 3.478 -12.148 -9.523
226 HB ILE 33 HB ILE 33 3.874 -9.185 -10.022
227 1HG1 ILE 33 1HG1 ILE 33 1.768 -10.630 -8.377
228 2HG1 ILE 33 2HG1 ILE 33 2.964 -9.486 -7.772
229 1HG2 ILE 33 1HG2 ILE 33 1.344 -10.486 -10.735
230 2HG2 ILE 33 2HG2 ILE 33 2.731 -11.148 -11.598
231 3HG2 ILE 33 3HG2 ILE 33 2.371 -9.426 -11.698
232 1HD1 ILE 33 1HD1 ILE 33 1.791 -7.683 -8.496
233 2HD1 ILE 33 2HD1 ILE 33 0.427 -8.799 -8.542
234 3HD1 ILE 33 3HD1 ILE 33 1.344 -8.465 -10.011
235 HA PRO 34 HA PRO 34 6.677 -10.630 -12.805
236 1HB PRO 34 1HB PRO 34 8.946 -9.425 -11.842
237 2HB PRO 34 2HB PRO 34 7.499 -8.523 -12.341
238 1HG PRO 34 1HG PRO 34 8.355 -9.350 -9.599
239 2HG PRO 34 2HG PRO 34 7.713 -7.793 -10.153
240 1HD PRO 34 1HD PRO 34 6.159 -9.558 -8.882
241 2HD PRO 34 2HD PRO 34 5.534 -8.558 -10.210
242 H THR 35 H THR 35 7.266 -12.176 -9.824
243 HA THR 35 HA THR 35 9.504 -13.758 -11.035
244 HB THR 35 HB THR 35 8.886 -13.291 -8.132
245 HG1 THR 35 HG1 THR 35 10.806 -12.030 -9.782
246 1HG2 THR 35 1HG2 THR 35 10.751 -14.516 -7.657
247 2HG2 THR 35 2HG2 THR 35 11.605 -13.947 -9.091
248 3HG2 THR 35 3HG2 THR 35 10.412 -15.237 -9.230
249 H GLY 36 H GLY 36 7.281 -14.236 -8.291
250 1HA GLY 36 1HA GLY 36 5.381 -15.918 -8.813
251 2HA GLY 36 2HA GLY 36 6.694 -16.954 -9.375
252 H THR 37 H THR 37 8.207 -15.425 -7.022
253 HA THR 37 HA THR 37 7.756 -17.590 -5.073
254 HB THR 37 HB THR 37 9.574 -15.166 -4.988
255 HG1 THR 37 HG1 THR 37 11.104 -16.824 -5.769
256 1HG2 THR 37 1HG2 THR 37 9.643 -16.095 -2.860
257 2HG2 THR 37 2HG2 THR 37 10.941 -16.974 -3.667
258 3HG2 THR 37 3HG2 THR 37 9.362 -17.731 -3.455
259 H THR 38 H THR 38 7.494 -16.966 -2.728
260 HA THR 38 HA THR 38 5.754 -14.537 -2.439
261 HB THR 38 HB THR 38 5.056 -16.331 -0.435
262 HG1 THR 38 HG1 THR 38 4.688 -18.171 -2.113
263 1HG2 THR 38 1HG2 THR 38 3.697 -14.925 -2.155
264 2HG2 THR 38 2HG2 THR 38 2.994 -16.425 -1.552
265 3HG2 THR 38 3HG2 THR 38 3.749 -16.384 -3.145
266 H GLN 39 H GLN 39 5.838 -13.542 -0.269
267 HA GLN 39 HA GLN 39 8.213 -14.286 1.380
268 1HB GLN 39 1HB GLN 39 7.625 -11.715 -0.076
269 2HB GLN 39 2HB GLN 39 8.603 -11.692 1.392
270 1HG GLN 39 1HG GLN 39 9.955 -13.601 0.261
271 2HG GLN 39 2HG GLN 39 9.182 -13.058 -1.229
272 1HE2 GLN 39 1HE2 GLN 39 11.757 -12.404 0.974
273 2HE2 GLN 39 2HE2 GLN 39 12.241 -10.919 0.309
274 H TRP 40 H TRP 40 8.062 -12.085 3.127
275 HA TRP 40 HA TRP 40 5.250 -12.101 4.149
276 1HB TRP 40 1HB TRP 40 7.782 -13.114 5.409
277 2HB TRP 40 2HB TRP 40 6.533 -12.425 6.446
278 HD1 TRP 40 HD1 TRP 40 7.497 -15.564 4.792
279 HE1 TRP 40 HE1 TRP 40 5.568 -17.272 4.875
280 HE3 TRP 40 HE3 TRP 40 3.675 -12.507 6.248
281 HZ2 TRP 40 HZ2 TRP 40 2.773 -17.333 5.480
282 HZ3 TRP 40 HZ3 TRP 40 1.392 -13.415 6.570
283 HH2 TRP 40 HH2 TRP 40 0.937 -15.822 6.188
284 H GLU 41 H GLU 41 8.528 -10.726 4.327
285 HA GLU 41 HA GLU 41 7.500 -8.300 5.702
286 1HB GLU 41 1HB GLU 41 10.263 -9.234 4.853
287 2HB GLU 41 2HB GLU 41 9.942 -7.791 5.813
288 1HG GLU 41 1HG GLU 41 8.654 -9.417 7.394
289 2HG GLU 41 2HG GLU 41 9.577 -10.680 6.576
290 HA PRO 42 HA PRO 42 7.416 -5.834 2.073
291 1HB PRO 42 1HB PRO 42 8.418 -3.450 2.969
292 2HB PRO 42 2HB PRO 42 6.806 -4.047 3.410
293 1HG PRO 42 1HG PRO 42 9.338 -4.104 4.972
294 2HG PRO 42 2HG PRO 42 7.681 -3.807 5.519
295 1HD PRO 42 1HD PRO 42 8.972 -6.189 5.842
296 2HD PRO 42 2HD PRO 42 7.206 -6.036 5.713
297 HA PRO 43 HA PRO 43 11.625 -6.467 0.648
298 1HB PRO 43 1HB PRO 43 11.037 -6.240 -2.016
299 2HB PRO 43 2HB PRO 43 10.733 -7.718 -1.080
300 1HG PRO 43 1HG PRO 43 8.838 -5.582 -1.913
301 2HG PRO 43 2HG PRO 43 8.599 -7.334 -1.826
302 1HD PRO 43 1HD PRO 43 7.672 -5.586 0.057
303 2HD PRO 43 2HD PRO 43 8.073 -7.283 0.399
304 H GLY 44 H GLY 44 9.464 -3.885 -0.523
305 1HA GLY 44 1HA GLY 44 11.729 -2.210 -1.350
306 2HA GLY 44 2HA GLY 44 10.027 -1.752 -1.406
307 H ARG 45 H ARG 45 12.634 -0.576 -0.139
308 HA ARG 45 HA ARG 45 12.351 -0.512 2.692
309 1HB ARG 45 1HB ARG 45 13.447 1.380 0.603
310 2HB ARG 45 2HB ARG 45 13.572 1.732 2.327
311 1HG ARG 45 1HG ARG 45 14.751 -0.398 2.689
312 2HG ARG 45 2HG ARG 45 14.611 -0.775 0.971
313 1HD ARG 45 1HD ARG 45 15.819 1.867 1.629
314 2HD ARG 45 2HD ARG 45 16.799 0.434 1.994
315 HE ARG 45 HE ARG 45 16.413 -0.278 -0.388
316 1HH1 ARG 45 1HH1 ARG 45 14.262 1.609 -1.145
317 2HH1 ARG 45 2HH1 ARG 45 15.123 2.854 -1.986
318 1HH2 ARG 45 1HH2 ARG 45 18.222 1.923 -0.739
319 2HH2 ARG 45 2HH2 ARG 45 17.365 3.033 -1.757
320 H ALA 46 H ALA 46 11.077 0.770 4.049
321 HA ALA 46 HA ALA 46 9.490 3.002 2.962
322 1HB ALA 46 1HB ALA 46 7.560 1.361 4.186
323 2HB ALA 46 2HB ALA 46 8.517 0.273 3.182
324 3HB ALA 46 3HB ALA 46 7.729 1.675 2.459
325 H SER 47 H SER 47 7.850 3.654 4.877
326 HA SER 47 HA SER 47 7.665 4.448 7.095
327 1HB SER 47 1HB SER 47 7.426 2.355 8.002
328 2HB SER 47 2HB SER 47 8.846 1.729 7.172
329 HG SER 47 HG SER 47 10.001 2.190 8.865
330 HA PRO 48 HA PRO 48 11.354 6.767 7.704
331 1HB PRO 48 1HB PRO 48 10.871 7.733 10.219
332 2HB PRO 48 2HB PRO 48 10.029 8.332 8.774
333 1HG PRO 48 1HG PRO 48 9.094 6.421 10.853
334 2HG PRO 48 2HG PRO 48 8.198 7.681 9.991
335 1HD PRO 48 1HD PRO 48 8.054 5.020 9.377
336 2HD PRO 48 2HD PRO 48 7.750 6.324 8.209
337 H SER 49 H SER 49 13.312 6.798 9.103
338 HA SER 49 HA SER 49 15.032 5.543 10.157
339 1HB SER 49 1HB SER 49 12.585 5.402 11.926
340 2HB SER 49 2HB SER 49 14.140 4.761 12.452
341 HG SER 49 HG SER 49 13.622 7.046 12.963
342 H GLN 50 H GLN 50 14.191 3.993 8.108
343 HA GLN 50 HA GLN 50 13.683 1.294 9.320
344 1HB GLN 50 1HB GLN 50 11.983 2.463 7.748
345 2HB GLN 50 2HB GLN 50 13.143 2.117 6.464
346 1HG GLN 50 1HG GLN 50 11.926 0.054 8.326
347 2HG GLN 50 2HG GLN 50 11.446 0.324 6.650
348 1HE2 GLN 50 1HE2 GLN 50 13.039 -0.226 4.951
349 2HE2 GLN 50 2HE2 GLN 50 14.321 -1.288 5.285
Start of MODEL 8
1 H ASP 1 H ASP 1 -5.221 -1.243 14.953
2 HA ASP 1 HA ASP 1 -2.924 -2.047 16.661
3 1HB ASP 1 1HB ASP 1 -3.462 -2.079 13.911
4 2HB ASP 1 2HB ASP 1 -2.498 -0.621 14.153
5 H SER 2 H SER 2 -5.177 0.434 15.943
6 HA SER 2 HA SER 2 -3.748 2.348 17.636
7 1HB SER 2 1HB SER 2 -3.092 2.233 14.934
8 2HB SER 2 2HB SER 2 -4.254 3.555 15.014
9 HG SER 2 HG SER 2 -2.334 4.474 15.494
10 H PHE 3 H PHE 3 -5.229 3.803 18.505
11 HA PHE 3 HA PHE 3 -8.063 3.410 17.900
12 1HB PHE 3 1HB PHE 3 -6.777 3.910 20.136
13 2HB PHE 3 2HB PHE 3 -6.906 5.591 19.621
14 HD1 PHE 3 HD1 PHE 3 -8.813 2.566 20.566
15 HD2 PHE 3 HD2 PHE 3 -9.034 6.738 19.570
16 HE1 PHE 3 HE1 PHE 3 -11.161 2.630 21.358
17 HE2 PHE 3 HE2 PHE 3 -11.384 6.802 20.362
18 HZ PHE 3 HZ PHE 3 -12.447 4.748 21.255
19 H TRP 4 H TRP 4 -5.680 5.222 16.416
20 HA TRP 4 HA TRP 4 -6.701 7.799 16.006
21 1HB TRP 4 1HB TRP 4 -5.056 5.820 14.513
22 2HB TRP 4 2HB TRP 4 -5.681 7.176 13.574
23 HD1 TRP 4 HD1 TRP 4 -3.568 6.443 16.703
24 HE1 TRP 4 HE1 TRP 4 -2.030 8.466 17.138
25 HE3 TRP 4 HE3 TRP 4 -5.286 9.647 13.115
26 HZ2 TRP 4 HZ2 TRP 4 -1.588 11.096 16.103
27 HZ3 TRP 4 HZ3 TRP 4 -4.290 11.902 12.862
28 HH2 TRP 4 HH2 TRP 4 -2.445 12.630 14.350
29 H ASN 5 H ASN 5 -7.175 5.179 13.609
30 HA ASN 5 HA ASN 5 -9.841 6.392 12.965
31 1HB ASN 5 1HB ASN 5 -7.542 5.609 11.446
32 2HB ASN 5 2HB ASN 5 -8.889 4.572 10.974
33 1HD2 ASN 5 1HD2 ASN 5 -8.799 5.824 8.862
34 2HD2 ASN 5 2HD2 ASN 5 -9.579 7.330 8.778
35 HA PRO 6 HA PRO 6 -11.850 2.649 14.063
36 1HB PRO 6 1HB PRO 6 -13.743 2.403 12.101
37 2HB PRO 6 2HB PRO 6 -13.839 3.621 13.388
38 1HG PRO 6 1HG PRO 6 -12.962 3.921 10.561
39 2HG PRO 6 2HG PRO 6 -13.901 5.026 11.576
40 1HD PRO 6 1HD PRO 6 -11.242 5.347 11.047
41 2HD PRO 6 2HD PRO 6 -12.037 5.956 12.515
42 H ASN 7 H ASN 7 -10.588 2.927 10.795
43 HA ASN 7 HA ASN 7 -9.439 0.296 10.802
44 1HB ASN 7 1HB ASN 7 -11.808 -0.352 10.705
45 2HB ASN 7 2HB ASN 7 -12.047 0.680 9.295
46 1HD2 ASN 7 1HD2 ASN 7 -9.642 -1.852 10.250
47 2HD2 ASN 7 2HD2 ASN 7 -9.709 -2.673 8.767
48 H ALA 8 H ALA 8 -11.011 2.607 8.553
49 HA ALA 8 HA ALA 8 -10.197 3.569 6.549
50 1HB ALA 8 1HB ALA 8 -8.460 3.964 8.669
51 2HB ALA 8 2HB ALA 8 -8.358 4.784 7.111
52 3HB ALA 8 3HB ALA 8 -7.396 3.336 7.410
53 H PHE 9 H PHE 9 -10.658 0.870 6.196
54 HA PHE 9 HA PHE 9 -8.489 -0.779 5.437
55 1HB PHE 9 1HB PHE 9 -10.323 -1.756 3.879
56 2HB PHE 9 2HB PHE 9 -10.622 -1.758 5.612
57 HD1 PHE 9 HD1 PHE 9 -10.742 1.493 3.941
58 HD2 PHE 9 HD2 PHE 9 -13.058 -1.952 5.055
59 HE1 PHE 9 HE1 PHE 9 -12.825 2.776 3.579
60 HE2 PHE 9 HE2 PHE 9 -15.142 -0.661 4.697
61 HZ PHE 9 HZ PHE 9 -15.027 1.703 3.960
62 H GLU 10 H GLU 10 -6.946 0.627 4.318
63 HA GLU 10 HA GLU 10 -7.770 1.718 1.688
64 1HB GLU 10 1HB GLU 10 -5.587 2.799 1.816
65 2HB GLU 10 2HB GLU 10 -6.410 2.992 3.359
66 1HG GLU 10 1HG GLU 10 -5.139 0.671 3.849
67 2HG GLU 10 2HG GLU 10 -4.013 1.365 2.682
68 H THR 11 H THR 11 -5.263 1.441 0.408
69 HA THR 11 HA THR 11 -5.404 -1.410 -0.403
70 HB THR 11 HB THR 11 -3.626 0.673 -1.634
71 HG1 THR 11 HG1 THR 11 -5.635 1.203 -2.855
72 1HG2 THR 11 1HG2 THR 11 -3.628 -0.777 -3.359
73 2HG2 THR 11 2HG2 THR 11 -5.389 -0.887 -3.346
74 3HG2 THR 11 3HG2 THR 11 -4.433 -1.920 -2.283
75 H ASP 12 H ASP 12 -2.799 -1.762 -1.341
76 HA ASP 12 HA ASP 12 -1.380 -2.653 0.959
77 1HB ASP 12 1HB ASP 12 0.509 -2.785 -0.759
78 2HB ASP 12 2HB ASP 12 -0.988 -3.600 -1.211
79 H SER 13 H SER 13 0.927 -1.836 1.473
80 HA SER 13 HA SER 13 0.781 1.033 2.093
81 1HB SER 13 1HB SER 13 2.771 0.493 3.413
82 2HB SER 13 2HB SER 13 1.554 -0.752 3.664
83 HG SER 13 HG SER 13 3.943 -0.827 2.182
84 H ASP 14 H ASP 14 0.926 0.639 -0.703
85 HA ASP 14 HA ASP 14 2.161 1.358 -2.582
86 1HB ASP 14 1HB ASP 14 2.319 3.407 -1.340
87 2HB ASP 14 2HB ASP 14 3.538 2.731 -0.260
88 H LEU 15 H LEU 15 2.817 -1.129 -2.371
89 HA LEU 15 HA LEU 15 5.503 -1.760 -1.498
90 1HB LEU 15 1HB LEU 15 3.261 -3.014 -3.011
91 2HB LEU 15 2HB LEU 15 4.860 -3.717 -3.253
92 HG LEU 15 HG LEU 15 3.555 -4.759 -1.364
93 1HD1 LEU 15 1HD1 LEU 15 5.918 -5.047 -1.296
94 2HD1 LEU 15 2HD1 LEU 15 5.472 -4.486 0.316
95 3HD1 LEU 15 3HD1 LEU 15 6.186 -3.364 -0.842
96 1HD2 LEU 15 1HD2 LEU 15 3.259 -3.485 0.686
97 2HD2 LEU 15 2HD2 LEU 15 2.502 -2.598 -0.636
98 3HD2 LEU 15 3HD2 LEU 15 4.074 -2.090 -0.018
99 HA PRO 16 HA PRO 16 7.908 -0.646 -4.996
100 1HB PRO 16 1HB PRO 16 9.382 -2.893 -5.546
101 2HB PRO 16 2HB PRO 16 9.685 -1.854 -4.137
102 1HG PRO 16 1HG PRO 16 8.214 -4.441 -4.299
103 2HG PRO 16 2HG PRO 16 9.334 -3.856 -3.057
104 1HD PRO 16 1HD PRO 16 6.642 -3.823 -2.743
105 2HD PRO 16 2HD PRO 16 7.714 -2.623 -1.990
106 H ALA 17 H ALA 17 8.729 -2.033 -7.256
107 HA ALA 17 HA ALA 17 6.145 -2.460 -8.639
108 1HB ALA 17 1HB ALA 17 8.102 -2.667 -10.524
109 2HB ALA 17 2HB ALA 17 8.945 -1.732 -9.289
110 3HB ALA 17 3HB ALA 17 7.439 -1.126 -9.979
111 H GLY 18 H GLY 18 5.368 -4.519 -8.723
112 1HA GLY 18 1HA GLY 18 5.605 -6.762 -9.678
113 2HA GLY 18 2HA GLY 18 7.309 -6.726 -9.230
114 H TRP 19 H TRP 19 5.634 -5.370 -6.700
115 HA TRP 19 HA TRP 19 5.434 -8.024 -5.317
116 1HB TRP 19 1HB TRP 19 6.533 -5.335 -4.554
117 2HB TRP 19 2HB TRP 19 5.955 -6.429 -3.301
118 HD1 TRP 19 HD1 TRP 19 8.889 -5.745 -5.443
119 HE1 TRP 19 HE1 TRP 19 10.638 -7.626 -5.203
120 HE3 TRP 19 HE3 TRP 19 6.102 -9.226 -2.958
121 HZ2 TRP 19 HZ2 TRP 19 10.826 -10.262 -4.103
122 HZ3 TRP 19 HZ3 TRP 19 7.088 -11.411 -2.327
123 HH2 TRP 19 HH2 TRP 19 9.444 -11.933 -2.896
124 H MET 20 H MET 20 3.532 -8.414 -4.203
125 HA MET 20 HA MET 20 1.510 -6.201 -4.106
126 1HB MET 20 1HB MET 20 1.069 -9.188 -4.386
127 2HB MET 20 2HB MET 20 -0.148 -7.925 -4.550
128 1HG MET 20 1HG MET 20 2.297 -7.912 -6.305
129 2HG MET 20 2HG MET 20 0.910 -8.921 -6.716
130 1HE MET 20 1HE MET 20 -1.692 -6.513 -5.669
131 2HE MET 20 2HE MET 20 -1.302 -8.152 -6.182
132 3HE MET 20 3HE MET 20 -1.931 -6.997 -7.353
133 H ARG 21 H ARG 21 -0.141 -6.576 -2.337
134 HA ARG 21 HA ARG 21 1.117 -7.878 0.058
135 1HB ARG 21 1HB ARG 21 1.087 -5.394 0.094
136 2HB ARG 21 2HB ARG 21 -0.663 -5.424 -0.132
137 1HG ARG 21 1HG ARG 21 -1.031 -6.423 1.991
138 2HG ARG 21 2HG ARG 21 0.666 -6.868 2.163
139 1HD ARG 21 1HD ARG 21 1.092 -4.278 2.012
140 2HD ARG 21 2HD ARG 21 -0.615 -4.165 2.490
141 HE ARG 21 HE ARG 21 0.932 -6.066 4.092
142 1HH1 ARG 21 1HH1 ARG 21 0.604 -2.703 3.605
143 2HH1 ARG 21 2HH1 ARG 21 0.459 -2.323 5.288
144 1HH2 ARG 21 1HH2 ARG 21 0.435 -5.637 6.307
145 2HH2 ARG 21 2HH2 ARG 21 0.364 -3.984 6.818
146 H VAL 22 H VAL 22 -0.055 -9.760 0.368
147 HA VAL 22 HA VAL 22 -3.030 -9.617 0.009
148 HB VAL 22 HB VAL 22 -1.303 -12.088 0.095
149 1HG1 VAL 22 1HG1 VAL 22 -3.413 -12.926 0.034
150 2HG1 VAL 22 2HG1 VAL 22 -3.338 -12.509 -1.678
151 3HG1 VAL 22 3HG1 VAL 22 -4.103 -11.406 -0.533
152 1HG2 VAL 22 1HG2 VAL 22 -1.146 -11.963 -2.357
153 2HG2 VAL 22 2HG2 VAL 22 -0.405 -10.537 -1.631
154 3HG2 VAL 22 3HG2 VAL 22 -2.013 -10.427 -2.345
155 H GLN 23 H GLN 23 -4.302 -10.850 1.571
156 HA GLN 23 HA GLN 23 -2.953 -11.144 4.236
157 1HB GLN 23 1HB GLN 23 -5.178 -9.562 3.307
158 2HB GLN 23 2HB GLN 23 -5.747 -10.711 4.520
159 1HG GLN 23 1HG GLN 23 -3.497 -9.903 5.744
160 2HG GLN 23 2HG GLN 23 -3.829 -8.448 4.803
161 1HE2 GLN 23 1HE2 GLN 23 -4.258 -7.481 7.045
162 2HE2 GLN 23 2HE2 GLN 23 -5.803 -7.686 7.715
163 H ASP 24 H ASP 24 -2.629 -13.456 3.510
164 HA ASP 24 HA ASP 24 -4.891 -15.169 2.959
165 1HB ASP 24 1HB ASP 24 -2.045 -15.262 3.080
166 2HB ASP 24 2HB ASP 24 -2.674 -16.585 4.059
167 H THR 25 H THR 25 -5.604 -16.940 4.436
168 HA THR 25 HA THR 25 -6.508 -16.065 6.956
169 HB THR 25 HB THR 25 -7.216 -18.061 5.538
170 HG1 THR 25 HG1 THR 25 -7.326 -19.410 7.620
171 1HG2 THR 25 1HG2 THR 25 -4.833 -18.907 5.330
172 2HG2 THR 25 2HG2 THR 25 -6.024 -20.130 5.771
173 3HG2 THR 25 3HG2 THR 25 -4.963 -19.449 7.004
174 H SER 26 H SER 26 -3.378 -17.283 6.019
175 HA SER 26 HA SER 26 -2.516 -17.970 8.732
176 1HB SER 26 1HB SER 26 -0.714 -18.835 7.606
177 2HB SER 26 2HB SER 26 -1.767 -18.646 6.206
178 HG SER 26 HG SER 26 0.216 -17.649 5.814
179 H GLY 27 H GLY 27 -2.235 -15.201 6.546
180 1HA GLY 27 1HA GLY 27 -2.013 -13.200 8.438
181 2HA GLY 27 2HA GLY 27 -0.356 -13.776 8.256
182 H THR 28 H THR 28 -0.225 -11.401 7.479
183 HA THR 28 HA THR 28 -1.126 -11.043 4.667
184 HB THR 28 HB THR 28 0.318 -9.148 6.544
185 HG1 THR 28 HG1 THR 28 -1.658 -9.919 7.418
186 1HG2 THR 28 1HG2 THR 28 0.260 -7.769 4.774
187 2HG2 THR 28 2HG2 THR 28 -1.501 -7.854 4.799
188 3HG2 THR 28 3HG2 THR 28 -0.578 -8.991 3.817
189 H TYR 29 H TYR 29 0.306 -11.835 3.149
190 HA TYR 29 HA TYR 29 3.235 -11.582 3.747
191 1HB TYR 29 1HB TYR 29 3.495 -13.541 2.327
192 2HB TYR 29 2HB TYR 29 2.247 -13.875 3.522
193 HD1 TYR 29 HD1 TYR 29 2.926 -13.138 -0.025
194 HD2 TYR 29 HD2 TYR 29 -0.100 -14.056 2.884
195 HE1 TYR 29 HE1 TYR 29 1.317 -13.617 -1.851
196 HE2 TYR 29 HE2 TYR 29 -1.710 -14.535 1.058
197 HH TYR 29 HH TYR 29 -0.985 -15.239 -1.890
198 H TYR 30 H TYR 30 4.122 -12.060 1.123
199 HA TYR 30 HA TYR 30 3.008 -9.736 -0.413
200 1HB TYR 30 1HB TYR 30 5.848 -10.462 0.334
201 2HB TYR 30 2HB TYR 30 5.495 -9.370 -1.007
202 HD1 TYR 30 HD1 TYR 30 5.919 -9.636 2.538
203 HD2 TYR 30 HD2 TYR 30 3.927 -7.366 -0.515
204 HE1 TYR 30 HE1 TYR 30 5.604 -7.763 4.133
205 HE2 TYR 30 HE2 TYR 30 3.612 -5.494 1.080
206 HH TYR 30 HH TYR 30 4.506 -5.817 4.487
207 H TRP 31 H TRP 31 2.366 -10.437 -2.404
208 HA TRP 31 HA TRP 31 3.361 -13.023 -3.450
209 1HB TRP 31 1HB TRP 31 1.007 -12.705 -3.523
210 2HB TRP 31 2HB TRP 31 1.169 -11.060 -4.137
211 HD1 TRP 31 HD1 TRP 31 3.101 -14.055 -5.543
212 HE1 TRP 31 HE1 TRP 31 2.401 -14.407 -7.999
213 HE3 TRP 31 HE3 TRP 31 -0.675 -10.632 -5.884
214 HZ2 TRP 31 HZ2 TRP 31 0.493 -13.374 -9.861
215 HZ3 TRP 31 HZ3 TRP 31 -1.915 -10.337 -8.009
216 HH2 TRP 31 HH2 TRP 31 -1.336 -11.702 -9.996
217 H HIS 32 H HIS 32 4.885 -13.126 -5.062
218 HA HIS 32 HA HIS 32 5.943 -10.600 -6.171
219 1HB HIS 32 1HB HIS 32 7.195 -12.686 -5.213
220 2HB HIS 32 2HB HIS 32 6.884 -13.399 -6.793
221 HD1 HIS 32 HD1 HIS 32 7.506 -9.715 -6.542
222 HD2 HIS 32 HD2 HIS 32 9.655 -13.157 -7.493
223 HE1 HIS 32 HE1 HIS 32 9.683 -8.938 -7.572
224 H ILE 33 H ILE 33 4.677 -9.860 -7.838
225 HA ILE 33 HA ILE 33 3.047 -11.358 -9.592
226 HB ILE 33 HB ILE 33 4.469 -8.702 -9.915
227 1HG1 ILE 33 1HG1 ILE 33 1.737 -9.485 -8.849
228 2HG1 ILE 33 2HG1 ILE 33 3.065 -8.777 -7.928
229 1HG2 ILE 33 1HG2 ILE 33 2.150 -9.952 -11.414
230 2HG2 ILE 33 2HG2 ILE 33 3.691 -9.415 -12.084
231 3HG2 ILE 33 3HG2 ILE 33 2.532 -8.231 -11.476
232 1HD1 ILE 33 1HD1 ILE 33 2.477 -7.152 -10.250
233 2HD1 ILE 33 2HD1 ILE 33 2.464 -6.698 -8.546
234 3HD1 ILE 33 3HD1 ILE 33 1.020 -7.391 -9.283
235 HA PRO 34 HA PRO 34 6.643 -11.168 -12.761
236 1HB PRO 34 1HB PRO 34 9.187 -10.969 -11.776
237 2HB PRO 34 2HB PRO 34 8.203 -9.565 -12.234
238 1HG PRO 34 1HG PRO 34 8.766 -10.686 -9.543
239 2HG PRO 34 2HG PRO 34 8.609 -8.999 -10.052
240 1HD PRO 34 1HD PRO 34 6.657 -10.391 -8.752
241 2HD PRO 34 2HD PRO 34 6.335 -9.010 -9.820
242 H THR 35 H THR 35 8.350 -12.487 -9.877
243 HA THR 35 HA THR 35 8.797 -15.016 -11.315
244 HB THR 35 HB THR 35 9.476 -14.783 -8.469
245 HG1 THR 35 HG1 THR 35 10.844 -13.129 -10.283
246 1HG2 THR 35 1HG2 THR 35 10.935 -15.404 -11.037
247 2HG2 THR 35 2HG2 THR 35 10.476 -16.527 -9.758
248 3HG2 THR 35 3HG2 THR 35 11.745 -15.338 -9.472
249 H GLY 36 H GLY 36 6.827 -13.865 -8.597
250 1HA GLY 36 1HA GLY 36 4.697 -14.933 -8.071
251 2HA GLY 36 2HA GLY 36 5.332 -16.438 -8.735
252 H THR 37 H THR 37 7.801 -15.143 -6.979
253 HA THR 37 HA THR 37 7.669 -17.118 -4.902
254 HB THR 37 HB THR 37 9.199 -14.576 -4.551
255 HG1 THR 37 HG1 THR 37 9.363 -16.315 -6.751
256 1HG2 THR 37 1HG2 THR 37 9.509 -17.485 -4.061
257 2HG2 THR 37 2HG2 THR 37 10.011 -16.115 -3.070
258 3HG2 THR 37 3HG2 THR 37 10.979 -16.598 -4.463
259 H THR 38 H THR 38 7.219 -16.795 -2.634
260 HA THR 38 HA THR 38 5.531 -14.377 -2.059
261 HB THR 38 HB THR 38 4.794 -16.380 -0.282
262 HG1 THR 38 HG1 THR 38 4.544 -18.201 -1.642
263 1HG2 THR 38 1HG2 THR 38 3.569 -14.771 -2.067
264 2HG2 THR 38 2HG2 THR 38 2.750 -16.124 -1.286
265 3HG2 THR 38 3HG2 THR 38 3.410 -16.312 -2.911
266 H GLN 39 H GLN 39 5.752 -13.498 0.101
267 HA GLN 39 HA GLN 39 8.008 -14.571 1.738
268 1HB GLN 39 1HB GLN 39 7.651 -11.690 0.848
269 2HB GLN 39 2HB GLN 39 8.982 -12.323 1.818
270 1HG GLN 39 1HG GLN 39 9.146 -14.008 -0.278
271 2HG GLN 39 2HG GLN 39 8.465 -12.603 -1.099
272 1HE2 GLN 39 1HE2 GLN 39 11.313 -13.818 -1.072
273 2HE2 GLN 39 2HE2 GLN 39 12.312 -12.491 -0.720
274 H TRP 40 H TRP 40 7.776 -11.888 3.216
275 HA TRP 40 HA TRP 40 5.073 -12.084 4.426
276 1HB TRP 40 1HB TRP 40 6.683 -13.780 5.448
277 2HB TRP 40 2HB TRP 40 7.613 -12.410 6.045
278 HD1 TRP 40 HD1 TRP 40 6.652 -11.023 8.028
279 HE1 TRP 40 HE1 TRP 40 4.675 -11.379 9.645
280 HE3 TRP 40 HE3 TRP 40 4.198 -14.790 5.604
281 HZ2 TRP 40 HZ2 TRP 40 2.360 -13.042 9.877
282 HZ3 TRP 40 HZ3 TRP 40 2.111 -15.738 6.545
283 HH2 TRP 40 HH2 TRP 40 1.191 -14.871 8.677
284 H GLU 41 H GLU 41 8.333 -10.679 4.782
285 HA GLU 41 HA GLU 41 7.247 -8.180 5.904
286 1HB GLU 41 1HB GLU 41 10.063 -8.889 5.033
287 2HB GLU 41 2HB GLU 41 9.589 -7.651 6.196
288 1HG GLU 41 1HG GLU 41 8.571 -9.507 7.596
289 2HG GLU 41 2HG GLU 41 9.351 -10.653 6.506
290 HA PRO 42 HA PRO 42 7.116 -5.920 2.146
291 1HB PRO 42 1HB PRO 42 8.019 -3.456 2.926
292 2HB PRO 42 2HB PRO 42 6.425 -4.089 3.382
293 1HG PRO 42 1HG PRO 42 8.936 -3.964 4.971
294 2HG PRO 42 2HG PRO 42 7.261 -3.711 5.484
295 1HD PRO 42 1HD PRO 42 8.656 -6.019 5.935
296 2HD PRO 42 2HD PRO 42 6.885 -5.944 5.800
297 HA PRO 43 HA PRO 43 11.313 -6.383 0.695
298 1HB PRO 43 1HB PRO 43 10.750 -6.022 -1.957
299 2HB PRO 43 2HB PRO 43 10.424 -7.542 -1.100
300 1HG PRO 43 1HG PRO 43 8.555 -5.362 -1.863
301 2HG PRO 43 2HG PRO 43 8.298 -7.113 -1.831
302 1HD PRO 43 1HD PRO 43 7.392 -5.388 0.101
303 2HD PRO 43 2HD PRO 43 7.717 -7.114 0.374
304 H GLY 44 H GLY 44 11.955 -4.314 1.702
305 1HA GLY 44 1HA GLY 44 12.078 -2.103 -0.303
306 2HA GLY 44 2HA GLY 44 11.656 -1.761 1.375
307 H ARG 45 H ARG 45 14.253 -2.878 -0.743
308 HA ARG 45 HA ARG 45 16.196 -2.471 1.502
309 1HB ARG 45 1HB ARG 45 15.813 -4.640 -0.046
310 2HB ARG 45 2HB ARG 45 16.942 -3.765 -1.081
311 1HG ARG 45 1HG ARG 45 18.587 -3.659 0.679
312 2HG ARG 45 2HG ARG 45 17.442 -4.297 1.858
313 1HD ARG 45 1HD ARG 45 17.296 -6.349 0.224
314 2HD ARG 45 2HD ARG 45 18.856 -5.746 -0.369
315 HE ARG 45 HE ARG 45 18.388 -6.936 2.248
316 1HH1 ARG 45 1HH1 ARG 45 20.922 -6.734 0.424
317 2HH1 ARG 45 2HH1 ARG 45 21.975 -5.855 1.484
318 1HH2 ARG 45 1HH2 ARG 45 19.436 -4.894 3.641
319 2HH2 ARG 45 2HH2 ARG 45 21.133 -4.814 3.304
320 H ALA 46 H ALA 46 17.843 -0.949 1.233
321 HA ALA 46 HA ALA 46 18.986 0.894 0.290
322 1HB ALA 46 1HB ALA 46 18.749 0.530 -2.437
323 2HB ALA 46 2HB ALA 46 18.469 -1.097 -1.816
324 3HB ALA 46 3HB ALA 46 19.963 -0.247 -1.422
325 H SER 47 H SER 47 17.718 2.700 0.746
326 HA SER 47 HA SER 47 15.174 3.188 -0.628
327 1HB SER 47 1HB SER 47 15.021 4.986 0.907
328 2HB SER 47 2HB SER 47 15.945 3.769 1.783
329 HG SER 47 HG SER 47 17.835 4.862 1.183
330 HA PRO 48 HA PRO 48 16.912 5.407 -4.015
331 1HB PRO 48 1HB PRO 48 14.696 6.837 -4.748
332 2HB PRO 48 2HB PRO 48 14.875 5.100 -5.070
333 1HG PRO 48 1HG PRO 48 13.337 6.478 -2.928
334 2HG PRO 48 2HG PRO 48 12.926 5.031 -3.861
335 1HD PRO 48 1HD PRO 48 13.879 4.962 -1.303
336 2HD PRO 48 2HD PRO 48 14.105 3.645 -2.475
337 H SER 49 H SER 49 15.333 7.040 -1.338
338 HA SER 49 HA SER 49 16.803 9.564 -2.033
339 1HB SER 49 1HB SER 49 14.915 10.683 -1.390
340 2HB SER 49 2HB SER 49 14.127 9.133 -1.669
341 HG SER 49 HG SER 49 14.701 10.451 0.682
342 H GLN 50 H GLN 50 16.634 10.787 0.468
343 HA GLN 50 HA GLN 50 18.550 9.136 2.041
344 1HB GLN 50 1HB GLN 50 19.208 11.262 2.971
345 2HB GLN 50 2HB GLN 50 18.997 11.509 1.237
346 1HG GLN 50 1HG GLN 50 16.795 12.464 1.581
347 2HG GLN 50 2HG GLN 50 16.849 12.072 3.300
348 1HE2 GLN 50 1HE2 GLN 50 17.843 14.396 0.894
349 2HE2 GLN 50 2HE2 GLN 50 18.665 15.439 1.951
Start of MODEL 9
1 H ASP 1 H ASP 1 -6.128 16.000 11.015
2 HA ASP 1 HA ASP 1 -3.829 15.348 9.952
3 1HB ASP 1 1HB ASP 1 -6.344 14.015 10.703
4 2HB ASP 1 2HB ASP 1 -5.289 13.016 9.702
5 H SER 2 H SER 2 -3.355 13.660 8.155
6 HA SER 2 HA SER 2 -5.028 13.966 5.727
7 1HB SER 2 1HB SER 2 -2.916 14.741 4.504
8 2HB SER 2 2HB SER 2 -3.641 15.914 5.598
9 HG SER 2 HG SER 2 -1.190 14.995 5.639
10 H PHE 3 H PHE 3 -5.218 11.611 6.100
11 HA PHE 3 HA PHE 3 -2.982 10.130 4.844
12 1HB PHE 3 1HB PHE 3 -3.712 10.123 7.710
13 2HB PHE 3 2HB PHE 3 -3.512 8.521 6.999
14 HD1 PHE 3 HD1 PHE 3 -1.380 8.168 5.521
15 HD2 PHE 3 HD2 PHE 3 -1.822 11.325 8.400
16 HE1 PHE 3 HE1 PHE 3 1.084 8.433 5.606
17 HE2 PHE 3 HE2 PHE 3 0.643 11.592 8.485
18 HZ PHE 3 HZ PHE 3 2.095 10.145 7.089
19 H TRP 4 H TRP 4 -6.109 9.752 6.557
20 HA TRP 4 HA TRP 4 -7.000 7.334 5.495
21 1HB TRP 4 1HB TRP 4 -8.391 9.941 6.142
22 2HB TRP 4 2HB TRP 4 -9.293 8.490 5.704
23 HD1 TRP 4 HD1 TRP 4 -8.308 10.206 8.656
24 HE1 TRP 4 HE1 TRP 4 -8.045 8.632 10.681
25 HE3 TRP 4 HE3 TRP 4 -8.116 5.703 6.254
26 HZ2 TRP 4 HZ2 TRP 4 -7.787 5.834 11.211
27 HZ3 TRP 4 HZ3 TRP 4 -7.861 3.601 7.543
28 HH2 TRP 4 HH2 TRP 4 -7.697 3.661 10.015
29 H ASN 5 H ASN 5 -7.020 6.712 3.369
30 HA ASN 5 HA ASN 5 -7.717 8.766 1.296
31 1HB ASN 5 1HB ASN 5 -5.500 7.108 1.606
32 2HB ASN 5 2HB ASN 5 -6.479 6.269 0.405
33 1HD2 ASN 5 1HD2 ASN 5 -6.196 9.794 0.942
34 2HD2 ASN 5 2HD2 ASN 5 -5.597 10.145 -0.606
35 HA PRO 6 HA PRO 6 -11.170 5.709 1.395
36 1HB PRO 6 1HB PRO 6 -13.152 7.567 1.063
37 2HB PRO 6 2HB PRO 6 -12.494 7.130 2.652
38 1HG PRO 6 1HG PRO 6 -11.913 9.499 0.950
39 2HG PRO 6 2HG PRO 6 -12.067 9.382 2.709
40 1HD PRO 6 1HD PRO 6 -9.670 9.515 1.403
41 2HD PRO 6 2HD PRO 6 -9.890 8.740 2.987
42 H ASN 7 H ASN 7 -10.357 8.384 -0.743
43 HA ASN 7 HA ASN 7 -12.045 7.685 -2.958
44 1HB ASN 7 1HB ASN 7 -11.031 9.852 -2.827
45 2HB ASN 7 2HB ASN 7 -9.418 9.158 -2.642
46 1HD2 ASN 7 1HD2 ASN 7 -11.750 10.248 -4.956
47 2HD2 ASN 7 2HD2 ASN 7 -10.917 9.752 -6.349
48 H ALA 8 H ALA 8 -9.035 6.372 -1.761
49 HA ALA 8 HA ALA 8 -8.785 4.685 -4.228
50 1HB ALA 8 1HB ALA 8 -6.536 4.719 -2.358
51 2HB ALA 8 2HB ALA 8 -6.980 6.340 -2.895
52 3HB ALA 8 3HB ALA 8 -6.560 5.103 -4.079
53 H PHE 9 H PHE 9 -9.748 2.719 -3.820
54 HA PHE 9 HA PHE 9 -9.389 1.512 -1.102
55 1HB PHE 9 1HB PHE 9 -11.424 0.142 -1.993
56 2HB PHE 9 2HB PHE 9 -11.692 1.809 -1.495
57 HD1 PHE 9 HD1 PHE 9 -10.398 0.096 -4.584
58 HD2 PHE 9 HD2 PHE 9 -13.109 2.979 -2.915
59 HE1 PHE 9 HE1 PHE 9 -11.219 0.641 -6.860
60 HE2 PHE 9 HE2 PHE 9 -13.932 3.523 -5.191
61 HZ PHE 9 HZ PHE 9 -12.986 2.354 -7.163
62 H GLU 10 H GLU 10 -7.257 1.247 -2.907
63 HA GLU 10 HA GLU 10 -7.568 -1.505 -4.043
64 1HB GLU 10 1HB GLU 10 -6.179 0.976 -4.754
65 2HB GLU 10 2HB GLU 10 -5.128 -0.438 -4.847
66 1HG GLU 10 1HG GLU 10 -6.867 -1.589 -6.224
67 2HG GLU 10 2HG GLU 10 -7.815 -0.102 -6.211
68 H THR 11 H THR 11 -5.100 -2.508 -4.011
69 HA THR 11 HA THR 11 -4.391 -2.619 -1.106
70 HB THR 11 HB THR 11 -3.427 -4.574 -3.158
71 HG1 THR 11 HG1 THR 11 -6.086 -4.124 -2.381
72 1HG2 THR 11 1HG2 THR 11 -4.725 -5.528 -0.719
73 2HG2 THR 11 2HG2 THR 11 -3.408 -4.403 -0.387
74 3HG2 THR 11 3HG2 THR 11 -3.105 -5.861 -1.331
75 H ASP 12 H ASP 12 -1.842 -3.773 -1.434
76 HA ASP 12 HA ASP 12 0.413 -3.091 -1.650
77 1HB ASP 12 1HB ASP 12 -0.170 -3.610 -3.978
78 2HB ASP 12 2HB ASP 12 -0.834 -1.991 -4.192
79 H SER 13 H SER 13 0.433 -1.556 0.102
80 HA SER 13 HA SER 13 -0.487 1.176 -0.208
81 1HB SER 13 1HB SER 13 0.533 -0.583 1.794
82 2HB SER 13 2HB SER 13 1.481 0.899 1.831
83 HG SER 13 HG SER 13 -0.355 1.136 3.114
84 H ASP 14 H ASP 14 2.829 0.281 0.659
85 HA ASP 14 HA ASP 14 3.820 2.143 -1.476
86 1HB ASP 14 1HB ASP 14 4.199 2.017 1.458
87 2HB ASP 14 2HB ASP 14 5.667 2.314 0.528
88 H LEU 15 H LEU 15 3.658 -0.599 -1.999
89 HA LEU 15 HA LEU 15 6.257 -1.848 -1.350
90 1HB LEU 15 1HB LEU 15 3.708 -2.611 -2.768
91 2HB LEU 15 2HB LEU 15 5.142 -3.626 -2.918
92 HG LEU 15 HG LEU 15 3.810 -4.456 -1.069
93 1HD1 LEU 15 1HD1 LEU 15 5.633 -4.784 0.232
94 2HD1 LEU 15 2HD1 LEU 15 5.783 -3.064 0.590
95 3HD1 LEU 15 3HD1 LEU 15 6.478 -3.720 -0.892
96 1HD2 LEU 15 1HD2 LEU 15 4.125 -1.947 0.509
97 2HD2 LEU 15 2HD2 LEU 15 2.814 -3.126 0.524
98 3HD2 LEU 15 3HD2 LEU 15 2.911 -1.932 -0.770
99 HA PRO 16 HA PRO 16 8.290 -0.832 -5.107
100 1HB PRO 16 1HB PRO 16 9.430 -3.209 -5.854
101 2HB PRO 16 2HB PRO 16 10.020 -2.242 -4.489
102 1HG PRO 16 1HG PRO 16 8.275 -4.656 -4.482
103 2HG PRO 16 2HG PRO 16 9.593 -4.213 -3.385
104 1HD PRO 16 1HD PRO 16 6.971 -3.910 -2.745
105 2HD PRO 16 2HD PRO 16 8.253 -2.854 -2.109
106 H ALA 17 H ALA 17 8.676 -2.359 -7.434
107 HA ALA 17 HA ALA 17 5.886 -2.494 -8.464
108 1HB ALA 17 1HB ALA 17 8.472 -2.655 -10.020
109 2HB ALA 17 2HB ALA 17 7.839 -1.115 -9.442
110 3HB ALA 17 3HB ALA 17 6.900 -2.085 -10.576
111 H GLY 18 H GLY 18 4.967 -4.492 -8.547
112 1HA GLY 18 1HA GLY 18 4.944 -6.709 -9.591
113 2HA GLY 18 2HA GLY 18 6.684 -6.804 -9.331
114 H TRP 19 H TRP 19 5.218 -5.432 -6.632
115 HA TRP 19 HA TRP 19 5.138 -8.108 -5.269
116 1HB TRP 19 1HB TRP 19 6.292 -5.426 -4.602
117 2HB TRP 19 2HB TRP 19 5.705 -6.427 -3.273
118 HD1 TRP 19 HD1 TRP 19 8.539 -6.061 -5.680
119 HE1 TRP 19 HE1 TRP 19 10.240 -7.968 -5.337
120 HE3 TRP 19 HE3 TRP 19 5.849 -9.094 -2.575
121 HZ2 TRP 19 HZ2 TRP 19 10.431 -10.457 -3.935
122 HZ3 TRP 19 HZ3 TRP 19 6.812 -11.224 -1.755
123 HH2 TRP 19 HH2 TRP 19 9.096 -11.907 -2.432
124 H MET 20 H MET 20 3.105 -8.603 -4.537
125 HA MET 20 HA MET 20 1.138 -6.376 -4.210
126 1HB MET 20 1HB MET 20 0.684 -8.173 -5.830
127 2HB MET 20 2HB MET 20 0.784 -9.369 -4.550
128 1HG MET 20 1HG MET 20 -1.560 -8.767 -5.065
129 2HG MET 20 2HG MET 20 -1.127 -8.318 -3.418
130 1HE MET 20 1HE MET 20 -3.345 -6.304 -6.192
131 2HE MET 20 2HE MET 20 -2.412 -7.768 -6.491
132 3HE MET 20 3HE MET 20 -1.870 -6.233 -7.165
133 H ARG 21 H ARG 21 -0.529 -6.830 -2.528
134 HA ARG 21 HA ARG 21 0.694 -7.996 -0.044
135 1HB ARG 21 1HB ARG 21 0.596 -5.539 -0.037
136 2HB ARG 21 2HB ARG 21 -1.121 -5.592 -0.437
137 1HG ARG 21 1HG ARG 21 -1.722 -6.420 1.671
138 2HG ARG 21 2HG ARG 21 -0.098 -7.023 2.003
139 1HD ARG 21 1HD ARG 21 0.282 -4.280 1.630
140 2HD ARG 21 2HD ARG 21 -1.222 -4.390 2.569
141 HE ARG 21 HE ARG 21 0.725 -6.250 3.592
142 1HH1 ARG 21 1HH1 ARG 21 -1.036 -4.464 5.260
143 2HH1 ARG 21 2HH1 ARG 21 0.121 -3.386 5.967
144 1HH2 ARG 21 1HH2 ARG 21 2.638 -4.188 3.719
145 2HH2 ARG 21 2HH2 ARG 21 2.201 -3.229 5.095
146 H VAL 22 H VAL 22 -0.424 -9.918 0.285
147 HA VAL 22 HA VAL 22 -3.376 -9.917 -0.236
148 HB VAL 22 HB VAL 22 -1.583 -12.309 0.177
149 1HG1 VAL 22 1HG1 VAL 22 -3.684 -12.501 -1.809
150 2HG1 VAL 22 2HG1 VAL 22 -4.335 -11.956 -0.263
151 3HG1 VAL 22 3HG1 VAL 22 -3.436 -13.470 -0.356
152 1HG2 VAL 22 1HG2 VAL 22 -1.969 -10.609 -2.291
153 2HG2 VAL 22 2HG2 VAL 22 -1.530 -12.313 -2.408
154 3HG2 VAL 22 3HG2 VAL 22 -0.458 -11.181 -1.584
155 H GLN 23 H GLN 23 -4.708 -11.079 1.344
156 HA GLN 23 HA GLN 23 -3.529 -11.062 4.104
157 1HB GLN 23 1HB GLN 23 -5.205 -9.255 3.425
158 2HB GLN 23 2HB GLN 23 -6.407 -10.543 3.314
159 1HG GLN 23 1HG GLN 23 -6.541 -10.791 5.575
160 2HG GLN 23 2HG GLN 23 -4.812 -10.534 5.804
161 1HE2 GLN 23 1HE2 GLN 23 -6.904 -9.240 7.399
162 2HE2 GLN 23 2HE2 GLN 23 -6.779 -7.571 7.120
163 H ASP 24 H ASP 24 -3.089 -13.340 4.119
164 HA ASP 24 HA ASP 24 -5.368 -15.179 3.594
165 1HB ASP 24 1HB ASP 24 -2.538 -15.188 3.258
166 2HB ASP 24 2HB ASP 24 -2.955 -16.487 4.374
167 H THR 25 H THR 25 -5.639 -16.992 5.232
168 HA THR 25 HA THR 25 -6.337 -16.099 7.789
169 HB THR 25 HB THR 25 -6.147 -18.558 8.360
170 HG1 THR 25 HG1 THR 25 -5.298 -19.905 6.860
171 1HG2 THR 25 1HG2 THR 25 -7.952 -17.306 6.818
172 2HG2 THR 25 2HG2 THR 25 -8.026 -19.039 7.131
173 3HG2 THR 25 3HG2 THR 25 -7.323 -18.445 5.628
174 H SER 26 H SER 26 -3.272 -17.712 6.856
175 HA SER 26 HA SER 26 -1.989 -17.691 9.362
176 1HB SER 26 1HB SER 26 -0.232 -18.404 8.085
177 2HB SER 26 2HB SER 26 -1.412 -18.390 6.776
178 HG SER 26 HG SER 26 0.768 -16.856 7.128
179 H GLY 27 H GLY 27 -2.326 -15.092 6.981
180 1HA GLY 27 1HA GLY 27 -2.338 -12.897 8.588
181 2HA GLY 27 2HA GLY 27 -0.616 -13.276 8.533
182 H THR 28 H THR 28 -1.045 -10.913 7.503
183 HA THR 28 HA THR 28 -1.740 -11.032 4.639
184 HB THR 28 HB THR 28 -0.735 -8.848 6.493
185 HG1 THR 28 HG1 THR 28 -2.814 -8.377 6.733
186 1HG2 THR 28 1HG2 THR 28 -0.825 -7.346 4.766
187 2HG2 THR 28 2HG2 THR 28 -2.118 -8.215 3.941
188 3HG2 THR 28 3HG2 THR 28 -0.452 -8.781 3.812
189 H TYR 29 H TYR 29 -0.197 -11.786 3.244
190 HA TYR 29 HA TYR 29 2.676 -11.171 3.848
191 1HB TYR 29 1HB TYR 29 3.148 -13.229 2.619
192 2HB TYR 29 2HB TYR 29 1.937 -13.560 3.852
193 HD1 TYR 29 HD1 TYR 29 2.631 -13.371 0.280
194 HD2 TYR 29 HD2 TYR 29 -0.467 -13.786 3.223
195 HE1 TYR 29 HE1 TYR 29 1.076 -14.178 -1.474
196 HE2 TYR 29 HE2 TYR 29 -2.024 -14.593 1.470
197 HH TYR 29 HH TYR 29 -0.939 -15.019 -1.897
198 H TYR 30 H TYR 30 3.549 -11.922 1.195
199 HA TYR 30 HA TYR 30 2.263 -9.829 -0.516
200 1HB TYR 30 1HB TYR 30 5.236 -10.247 -0.072
201 2HB TYR 30 2HB TYR 30 4.493 -8.977 -1.046
202 HD1 TYR 30 HD1 TYR 30 2.619 -7.569 0.254
203 HD2 TYR 30 HD2 TYR 30 5.839 -9.718 2.116
204 HE1 TYR 30 HE1 TYR 30 2.404 -6.143 2.271
205 HE2 TYR 30 HE2 TYR 30 5.624 -8.292 4.134
206 HH TYR 30 HH TYR 30 3.006 -6.470 4.826
207 H TRP 31 H TRP 31 2.508 -10.216 -2.799
208 HA TRP 31 HA TRP 31 3.416 -12.996 -3.480
209 1HB TRP 31 1HB TRP 31 1.009 -12.706 -3.627
210 2HB TRP 31 2HB TRP 31 1.205 -11.237 -4.578
211 HD1 TRP 31 HD1 TRP 31 3.670 -13.841 -5.511
212 HE1 TRP 31 HE1 TRP 31 2.998 -14.956 -7.736
213 HE3 TRP 31 HE3 TRP 31 -1.090 -12.053 -5.993
214 HZ2 TRP 31 HZ2 TRP 31 0.741 -15.073 -9.489
215 HZ3 TRP 31 HZ3 TRP 31 -2.478 -12.682 -7.948
216 HH2 TRP 31 HH2 TRP 31 -1.568 -14.189 -9.695
217 H HIS 32 H HIS 32 5.231 -12.958 -4.738
218 HA HIS 32 HA HIS 32 6.109 -10.524 -6.102
219 1HB HIS 32 1HB HIS 32 7.326 -12.641 -4.951
220 2HB HIS 32 2HB HIS 32 7.347 -13.183 -6.629
221 HD1 HIS 32 HD1 HIS 32 10.058 -12.605 -5.620
222 HD2 HIS 32 HD2 HIS 32 7.639 -9.542 -7.084
223 HE1 HIS 32 HE1 HIS 32 11.610 -10.710 -6.263
224 H ILE 33 H ILE 33 4.527 -10.125 -7.712
225 HA ILE 33 HA ILE 33 3.447 -12.014 -9.542
226 HB ILE 33 HB ILE 33 3.918 -9.027 -9.587
227 1HG1 ILE 33 1HG1 ILE 33 1.586 -10.855 -8.950
228 2HG1 ILE 33 2HG1 ILE 33 2.354 -9.672 -7.891
229 1HG2 ILE 33 1HG2 ILE 33 2.343 -10.761 -11.519
230 2HG2 ILE 33 2HG2 ILE 33 3.750 -9.768 -11.904
231 3HG2 ILE 33 3HG2 ILE 33 2.229 -9.003 -11.439
232 1HD1 ILE 33 1HD1 ILE 33 0.235 -8.776 -8.722
233 2HD1 ILE 33 2HD1 ILE 33 0.743 -9.060 -10.387
234 3HD1 ILE 33 3HD1 ILE 33 1.576 -7.855 -9.403
235 HA PRO 34 HA PRO 34 6.908 -10.594 -12.549
236 1HB PRO 34 1HB PRO 34 9.244 -9.691 -11.447
237 2HB PRO 34 2HB PRO 34 7.900 -8.625 -11.898
238 1HG PRO 34 1HG PRO 34 8.701 -9.632 -9.225
239 2HG PRO 34 2HG PRO 34 8.030 -8.062 -9.687
240 1HD PRO 34 1HD PRO 34 6.594 -10.078 -8.515
241 2HD PRO 34 2HD PRO 34 5.878 -8.793 -9.509
242 H THR 35 H THR 35 8.305 -11.807 -9.460
243 HA THR 35 HA THR 35 9.986 -13.727 -10.938
244 HB THR 35 HB THR 35 10.820 -14.245 -8.706
245 HG1 THR 35 HG1 THR 35 9.656 -13.896 -6.986
246 1HG2 THR 35 1HG2 THR 35 10.251 -11.285 -8.669
247 2HG2 THR 35 2HG2 THR 35 11.334 -11.995 -9.868
248 3HG2 THR 35 3HG2 THR 35 11.708 -12.133 -8.150
249 H GLY 36 H GLY 36 7.411 -14.018 -8.447
250 1HA GLY 36 1HA GLY 36 5.536 -15.615 -9.068
251 2HA GLY 36 2HA GLY 36 6.812 -16.722 -9.577
252 H THR 37 H THR 37 8.278 -15.396 -7.086
253 HA THR 37 HA THR 37 7.525 -17.570 -5.243
254 HB THR 37 HB THR 37 9.561 -15.327 -5.120
255 HG1 THR 37 HG1 THR 37 9.696 -17.063 -6.768
256 1HG2 THR 37 1HG2 THR 37 10.615 -16.740 -3.359
257 2HG2 THR 37 2HG2 THR 37 9.200 -17.793 -3.406
258 3HG2 THR 37 3HG2 THR 37 9.035 -16.116 -2.885
259 H THR 38 H THR 38 7.299 -16.918 -2.858
260 HA THR 38 HA THR 38 5.620 -14.440 -2.620
261 HB THR 38 HB THR 38 4.734 -16.079 -0.642
262 HG1 THR 38 HG1 THR 38 4.601 -18.167 -1.796
263 1HG2 THR 38 1HG2 THR 38 3.902 -15.310 -3.304
264 2HG2 THR 38 2HG2 THR 38 2.914 -15.591 -1.871
265 3HG2 THR 38 3HG2 THR 38 3.335 -16.937 -2.929
266 H GLN 39 H GLN 39 5.537 -13.704 -0.230
267 HA GLN 39 HA GLN 39 7.861 -14.432 1.426
268 1HB GLN 39 1HB GLN 39 7.574 -11.819 -0.071
269 2HB GLN 39 2HB GLN 39 8.605 -11.968 1.353
270 1HG GLN 39 1HG GLN 39 9.651 -14.000 0.151
271 2HG GLN 39 2HG GLN 39 8.865 -13.378 -1.301
272 1HE2 GLN 39 1HE2 GLN 39 11.791 -13.486 -0.787
273 2HE2 GLN 39 2HE2 GLN 39 12.341 -11.882 -0.852
274 H TRP 40 H TRP 40 7.891 -12.612 3.324
275 HA TRP 40 HA TRP 40 5.058 -11.938 4.027
276 1HB TRP 40 1HB TRP 40 7.144 -13.355 5.716
277 2HB TRP 40 2HB TRP 40 5.556 -12.849 6.296
278 HD1 TRP 40 HD1 TRP 40 7.207 -15.271 3.821
279 HE1 TRP 40 HE1 TRP 40 5.528 -17.150 3.268
280 HE3 TRP 40 HE3 TRP 40 3.078 -13.511 6.257
281 HZ2 TRP 40 HZ2 TRP 40 2.796 -17.815 3.788
282 HZ3 TRP 40 HZ3 TRP 40 0.953 -14.785 6.212
283 HH2 TRP 40 HH2 TRP 40 0.807 -16.933 4.982
284 H GLU 41 H GLU 41 8.101 -10.778 3.527
285 HA GLU 41 HA GLU 41 7.817 -8.654 5.629
286 1HB GLU 41 1HB GLU 41 10.318 -9.641 4.220
287 2HB GLU 41 2HB GLU 41 10.247 -8.551 5.604
288 1HG GLU 41 1HG GLU 41 8.924 -10.528 6.731
289 2HG GLU 41 2HG GLU 41 9.722 -11.504 5.496
290 HA PRO 42 HA PRO 42 7.585 -5.727 2.364
291 1HB PRO 42 1HB PRO 42 8.881 -3.583 3.463
292 2HB PRO 42 2HB PRO 42 7.266 -4.105 3.981
293 1HG PRO 42 1HG PRO 42 9.909 -4.577 5.261
294 2HG PRO 42 2HG PRO 42 8.338 -4.239 6.005
295 1HD PRO 42 1HD PRO 42 9.448 -6.733 5.866
296 2HD PRO 42 2HD PRO 42 7.698 -6.433 5.954
297 HA PRO 43 HA PRO 43 11.629 -6.581 0.550
298 1HB PRO 43 1HB PRO 43 10.787 -6.278 -2.038
299 2HB PRO 43 2HB PRO 43 10.534 -7.769 -1.107
300 1HG PRO 43 1HG PRO 43 8.631 -5.555 -1.691
301 2HG PRO 43 2HG PRO 43 8.348 -7.302 -1.638
302 1HD PRO 43 1HD PRO 43 7.653 -5.610 0.381
303 2HD PRO 43 2HD PRO 43 8.068 -7.321 0.635
304 H GLY 44 H GLY 44 12.644 -5.243 -1.528
305 1HA GLY 44 1HA GLY 44 11.926 -2.397 -1.468
306 2HA GLY 44 2HA GLY 44 13.482 -2.773 -0.727
307 H ARG 45 H ARG 45 15.027 -2.186 -2.185
308 HA ARG 45 HA ARG 45 14.625 -2.229 -5.052
309 1HB ARG 45 1HB ARG 45 17.056 -1.649 -5.015
310 2HB ARG 45 2HB ARG 45 16.115 -0.665 -3.892
311 1HG ARG 45 1HG ARG 45 16.821 -2.930 -2.410
312 2HG ARG 45 2HG ARG 45 18.273 -2.536 -3.331
313 1HD ARG 45 1HD ARG 45 17.248 -0.059 -2.413
314 2HD ARG 45 2HD ARG 45 17.196 -1.169 -1.029
315 HE ARG 45 HE ARG 45 19.549 -1.080 -1.025
316 1HH1 ARG 45 1HH1 ARG 45 19.394 1.262 -2.996
317 2HH1 ARG 45 2HH1 ARG 45 20.453 0.704 -4.248
318 1HH2 ARG 45 1HH2 ARG 45 20.448 -2.585 -3.154
319 2HH2 ARG 45 2HH2 ARG 45 21.050 -1.472 -4.337
320 H ALA 46 H ALA 46 16.402 -3.449 -6.413
321 HA ALA 46 HA ALA 46 16.910 -6.181 -5.312
322 1HB ALA 46 1HB ALA 46 14.896 -6.509 -6.484
323 2HB ALA 46 2HB ALA 46 16.111 -6.916 -7.696
324 3HB ALA 46 3HB ALA 46 15.324 -5.338 -7.732
325 H SER 47 H SER 47 19.143 -6.220 -5.430
326 HA SER 47 HA SER 47 20.463 -5.097 -7.867
327 1HB SER 47 1HB SER 47 21.403 -4.142 -5.948
328 2HB SER 47 2HB SER 47 21.224 -5.622 -5.007
329 HG SER 47 HG SER 47 23.001 -5.223 -7.192
330 HA PRO 48 HA PRO 48 20.863 -9.469 -8.879
331 1HB PRO 48 1HB PRO 48 21.696 -9.037 -11.451
332 2HB PRO 48 2HB PRO 48 19.991 -8.974 -10.964
333 1HG PRO 48 1HG PRO 48 21.905 -6.747 -11.448
334 2HG PRO 48 2HG PRO 48 20.183 -6.863 -11.845
335 1HD PRO 48 1HD PRO 48 21.145 -5.470 -9.706
336 2HD PRO 48 2HD PRO 48 19.522 -6.193 -9.760
337 H SER 49 H SER 49 22.693 -10.414 -8.044
338 HA SER 49 HA SER 49 25.288 -10.037 -9.286
339 1HB SER 49 1HB SER 49 26.319 -8.669 -7.699
340 2HB SER 49 2HB SER 49 24.693 -7.993 -7.707
341 HG SER 49 HG SER 49 25.650 -8.553 -5.595
342 H GLN 50 H GLN 50 27.014 -11.225 -7.866
343 HA GLN 50 HA GLN 50 27.653 -13.275 -6.875
344 1HB GLN 50 1HB GLN 50 25.711 -11.871 -5.249
345 2HB GLN 50 2HB GLN 50 25.547 -13.613 -5.019
346 1HG GLN 50 1HG GLN 50 28.342 -12.749 -5.102
347 2HG GLN 50 2HG GLN 50 27.437 -11.996 -3.788
348 1HE2 GLN 50 1HE2 GLN 50 29.013 -14.890 -4.762
349 2HE2 GLN 50 2HE2 GLN 50 28.454 -15.886 -3.506
Start of MODEL 10
1 H ASP 1 H ASP 1 -17.092 12.423 -5.665
2 HA ASP 1 HA ASP 1 -15.535 12.277 -3.707
3 1HB ASP 1 1HB ASP 1 -17.080 9.767 -3.631
4 2HB ASP 1 2HB ASP 1 -15.342 9.541 -3.433
5 H SER 2 H SER 2 -16.316 10.847 -6.726
6 HA SER 2 HA SER 2 -13.741 11.230 -7.870
7 1HB SER 2 1HB SER 2 -13.454 8.522 -7.925
8 2HB SER 2 2HB SER 2 -12.699 9.553 -6.712
9 HG SER 2 HG SER 2 -13.801 8.163 -5.496
10 H PHE 3 H PHE 3 -13.578 9.354 -9.820
11 HA PHE 3 HA PHE 3 -16.202 9.615 -11.221
12 1HB PHE 3 1HB PHE 3 -13.304 9.396 -11.991
13 2HB PHE 3 2HB PHE 3 -14.542 8.951 -13.167
14 HD1 PHE 3 HD1 PHE 3 -12.581 11.604 -12.029
15 HD2 PHE 3 HD2 PHE 3 -16.609 10.705 -13.219
16 HE1 PHE 3 HE1 PHE 3 -12.969 14.002 -12.529
17 HE2 PHE 3 HE2 PHE 3 -16.997 13.102 -13.720
18 HZ PHE 3 HZ PHE 3 -15.178 14.752 -13.373
19 H TRP 4 H TRP 4 -16.347 7.591 -9.403
20 HA TRP 4 HA TRP 4 -16.857 5.286 -9.258
21 1HB TRP 4 1HB TRP 4 -17.481 6.186 -11.798
22 2HB TRP 4 2HB TRP 4 -16.444 4.799 -12.128
23 HD1 TRP 4 HD1 TRP 4 -19.715 5.748 -10.374
24 HE1 TRP 4 HE1 TRP 4 -21.126 3.615 -10.054
25 HE3 TRP 4 HE3 TRP 4 -16.367 2.229 -11.953
26 HZ2 TRP 4 HZ2 TRP 4 -20.869 0.788 -10.419
27 HZ3 TRP 4 HZ3 TRP 4 -16.976 -0.173 -11.957
28 HH2 TRP 4 HH2 TRP 4 -19.220 -0.898 -11.193
29 H ASN 5 H ASN 5 -14.808 4.856 -8.170
30 HA ASN 5 HA ASN 5 -12.266 4.512 -9.220
31 1HB ASN 5 1HB ASN 5 -13.896 3.364 -7.035
32 2HB ASN 5 2HB ASN 5 -12.484 2.406 -7.481
33 1HD2 ASN 5 1HD2 ASN 5 -12.778 3.919 -4.973
34 2HD2 ASN 5 2HD2 ASN 5 -11.549 5.090 -4.963
35 HA PRO 6 HA PRO 6 -12.402 1.132 -12.017
36 1HB PRO 6 1HB PRO 6 -9.992 -0.077 -11.543
37 2HB PRO 6 2HB PRO 6 -10.144 1.478 -12.386
38 1HG PRO 6 1HG PRO 6 -9.395 0.924 -9.561
39 2HG PRO 6 2HG PRO 6 -8.765 2.144 -10.678
40 1HD PRO 6 1HD PRO 6 -10.573 2.688 -8.702
41 2HD PRO 6 2HD PRO 6 -10.439 3.628 -10.205
42 H ASN 7 H ASN 7 -11.798 0.480 -8.622
43 HA ASN 7 HA ASN 7 -13.434 -1.957 -8.752
44 1HB ASN 7 1HB ASN 7 -11.131 -2.611 -9.521
45 2HB ASN 7 2HB ASN 7 -10.508 -2.092 -7.955
46 1HD2 ASN 7 1HD2 ASN 7 -13.291 -4.113 -9.087
47 2HD2 ASN 7 2HD2 ASN 7 -13.019 -5.362 -7.970
48 H ALA 8 H ALA 8 -11.211 0.067 -6.835
49 HA ALA 8 HA ALA 8 -13.044 0.584 -4.730
50 1HB ALA 8 1HB ALA 8 -11.370 -1.915 -4.524
51 2HB ALA 8 2HB ALA 8 -13.089 -1.713 -4.189
52 3HB ALA 8 3HB ALA 8 -11.891 -1.067 -3.068
53 H PHE 9 H PHE 9 -11.374 0.656 -2.505
54 HA PHE 9 HA PHE 9 -9.682 2.916 -3.060
55 1HB PHE 9 1HB PHE 9 -10.209 1.049 -0.759
56 2HB PHE 9 2HB PHE 9 -8.910 2.237 -0.638
57 HD1 PHE 9 HD1 PHE 9 -12.539 1.923 -1.496
58 HD2 PHE 9 HD2 PHE 9 -9.391 4.460 -0.046
59 HE1 PHE 9 HE1 PHE 9 -14.200 3.690 -0.982
60 HE2 PHE 9 HE2 PHE 9 -11.053 6.228 0.468
61 HZ PHE 9 HZ PHE 9 -13.457 5.842 0.001
62 H GLU 10 H GLU 10 -7.474 2.995 -3.448
63 HA GLU 10 HA GLU 10 -6.012 1.040 -4.708
64 1HB GLU 10 1HB GLU 10 -5.389 3.348 -2.928
65 2HB GLU 10 2HB GLU 10 -4.055 2.257 -3.305
66 1HG GLU 10 1HG GLU 10 -3.946 3.797 -5.068
67 2HG GLU 10 2HG GLU 10 -4.899 2.490 -5.771
68 H THR 11 H THR 11 -4.670 -0.702 -4.079
69 HA THR 11 HA THR 11 -5.245 -1.831 -1.395
70 HB THR 11 HB THR 11 -3.560 -3.199 -3.445
71 HG1 THR 11 HG1 THR 11 -6.269 -2.466 -3.764
72 1HG2 THR 11 1HG2 THR 11 -6.036 -4.344 -2.254
73 2HG2 THR 11 2HG2 THR 11 -4.697 -4.016 -1.154
74 3HG2 THR 11 3HG2 THR 11 -4.466 -5.099 -2.526
75 H ASP 12 H ASP 12 -2.933 -3.378 -1.077
76 HA ASP 12 HA ASP 12 -0.957 -3.116 0.206
77 1HB ASP 12 1HB ASP 12 -0.081 -1.678 -2.283
78 2HB ASP 12 2HB ASP 12 0.754 -2.921 -1.362
79 H SER 13 H SER 13 1.039 -1.049 -0.274
80 HA SER 13 HA SER 13 -0.313 1.441 0.644
81 1HB SER 13 1HB SER 13 1.040 -0.471 2.267
82 2HB SER 13 2HB SER 13 2.020 0.990 2.216
83 HG SER 13 HG SER 13 0.472 1.128 3.862
84 H ASP 14 H ASP 14 2.917 0.013 0.123
85 HA ASP 14 HA ASP 14 3.565 1.982 -1.943
86 1HB ASP 14 1HB ASP 14 5.189 3.211 -0.661
87 2HB ASP 14 2HB ASP 14 3.722 3.159 0.316
88 H LEU 15 H LEU 15 3.598 -0.831 -1.999
89 HA LEU 15 HA LEU 15 6.225 -1.918 -1.414
90 1HB LEU 15 1HB LEU 15 3.775 -2.729 -2.972
91 2HB LEU 15 2HB LEU 15 5.239 -3.707 -3.061
92 HG LEU 15 HG LEU 15 3.849 -4.599 -1.290
93 1HD1 LEU 15 1HD1 LEU 15 5.447 -4.652 0.426
94 2HD1 LEU 15 2HD1 LEU 15 5.896 -2.963 0.190
95 3HD1 LEU 15 3HD1 LEU 15 6.413 -4.183 -0.974
96 1HD2 LEU 15 1HD2 LEU 15 2.573 -2.438 -0.963
97 2HD2 LEU 15 2HD2 LEU 15 3.940 -1.849 -0.018
98 3HD2 LEU 15 3HD2 LEU 15 3.024 -3.251 0.535
99 HA PRO 16 HA PRO 16 8.466 -0.807 -5.015
100 1HB PRO 16 1HB PRO 16 9.692 -3.147 -5.739
101 2HB PRO 16 2HB PRO 16 10.176 -2.199 -4.318
102 1HG PRO 16 1HG PRO 16 8.468 -4.636 -4.474
103 2HG PRO 16 2HG PRO 16 9.713 -4.207 -3.291
104 1HD PRO 16 1HD PRO 16 7.061 -3.947 -2.791
105 2HD PRO 16 2HD PRO 16 8.287 -2.879 -2.073
106 H ALA 17 H ALA 17 9.046 -2.299 -7.329
107 HA ALA 17 HA ALA 17 6.363 -2.380 -8.602
108 1HB ALA 17 1HB ALA 17 8.997 -1.532 -9.275
109 2HB ALA 17 2HB ALA 17 7.542 -1.415 -10.266
110 3HB ALA 17 3HB ALA 17 8.574 -2.840 -10.381
111 H GLY 18 H GLY 18 5.387 -4.325 -8.958
112 1HA GLY 18 1HA GLY 18 5.348 -6.560 -9.872
113 2HA GLY 18 2HA GLY 18 7.074 -6.697 -9.544
114 H TRP 19 H TRP 19 5.496 -5.300 -6.905
115 HA TRP 19 HA TRP 19 5.316 -7.975 -5.562
116 1HB TRP 19 1HB TRP 19 6.486 -5.319 -4.809
117 2HB TRP 19 2HB TRP 19 5.868 -6.366 -3.533
118 HD1 TRP 19 HD1 TRP 19 8.769 -5.908 -5.835
119 HE1 TRP 19 HE1 TRP 19 10.463 -7.824 -5.513
120 HE3 TRP 19 HE3 TRP 19 5.990 -9.067 -2.941
121 HZ2 TRP 19 HZ2 TRP 19 10.619 -10.361 -4.203
122 HZ3 TRP 19 HZ3 TRP 19 6.935 -11.225 -2.172
123 HH2 TRP 19 HH2 TRP 19 9.243 -11.876 -2.798
124 H MET 20 H MET 20 3.410 -8.378 -4.468
125 HA MET 20 HA MET 20 1.417 -6.142 -4.299
126 1HB MET 20 1HB MET 20 0.961 -9.119 -4.667
127 2HB MET 20 2HB MET 20 -0.258 -7.852 -4.775
128 1HG MET 20 1HG MET 20 2.105 -8.257 -6.626
129 2HG MET 20 2HG MET 20 0.399 -8.459 -7.026
130 1HE MET 20 1HE MET 20 -0.167 -5.799 -8.916
131 2HE MET 20 2HE MET 20 -1.269 -5.764 -7.542
132 3HE MET 20 3HE MET 20 -0.660 -7.307 -8.135
133 H ARG 21 H ARG 21 -0.251 -6.569 -2.543
134 HA ARG 21 HA ARG 21 1.017 -7.905 -0.172
135 1HB ARG 21 1HB ARG 21 0.880 -5.356 -0.255
136 2HB ARG 21 2HB ARG 21 -0.873 -5.537 -0.178
137 1HG ARG 21 1HG ARG 21 -0.446 -7.001 1.904
138 2HG ARG 21 2HG ARG 21 1.181 -6.318 1.891
139 1HD ARG 21 1HD ARG 21 0.238 -4.036 2.010
140 2HD ARG 21 2HD ARG 21 -1.401 -4.716 2.019
141 HE ARG 21 HE ARG 21 0.502 -5.681 4.086
142 1HH1 ARG 21 1HH1 ARG 21 -1.866 -3.345 3.282
143 2HH1 ARG 21 2HH1 ARG 21 -2.652 -3.399 4.824
144 1HH2 ARG 21 1HH2 ARG 21 -0.675 -5.977 6.039
145 2HH2 ARG 21 2HH2 ARG 21 -1.979 -4.889 6.385
146 H VAL 22 H VAL 22 -0.145 -9.782 0.169
147 HA VAL 22 HA VAL 22 -3.114 -9.685 -0.242
148 HB VAL 22 HB VAL 22 -1.301 -12.099 -0.106
149 1HG1 VAL 22 1HG1 VAL 22 -3.769 -12.415 0.157
150 2HG1 VAL 22 2HG1 VAL 22 -3.122 -13.199 -1.284
151 3HG1 VAL 22 3HG1 VAL 22 -3.994 -11.672 -1.427
152 1HG2 VAL 22 1HG2 VAL 22 -1.135 -12.021 -2.527
153 2HG2 VAL 22 2HG2 VAL 22 -0.584 -10.471 -1.892
154 3HG2 VAL 22 3HG2 VAL 22 -2.195 -10.613 -2.594
155 H GLN 23 H GLN 23 -4.377 -11.002 1.307
156 HA GLN 23 HA GLN 23 -3.086 -11.130 4.013
157 1HB GLN 23 1HB GLN 23 -5.086 -9.464 3.162
158 2HB GLN 23 2HB GLN 23 -6.020 -10.816 3.804
159 1HG GLN 23 1HG GLN 23 -5.440 -10.350 5.948
160 2HG GLN 23 2HG GLN 23 -3.763 -10.017 5.514
161 1HE2 GLN 23 1HE2 GLN 23 -5.807 -8.421 7.187
162 2HE2 GLN 23 2HE2 GLN 23 -5.768 -6.869 6.503
163 H ASP 24 H ASP 24 -2.614 -13.401 3.857
164 HA ASP 24 HA ASP 24 -4.815 -15.271 3.218
165 1HB ASP 24 1HB ASP 24 -2.070 -15.213 2.873
166 2HB ASP 24 2HB ASP 24 -2.288 -16.337 4.209
167 H THR 25 H THR 25 -5.033 -17.199 4.789
168 HA THR 25 HA THR 25 -5.922 -16.305 7.345
169 HB THR 25 HB THR 25 -6.520 -18.391 5.983
170 HG1 THR 25 HG1 THR 25 -6.991 -17.951 8.288
171 1HG2 THR 25 1HG2 THR 25 -4.259 -19.708 7.455
172 2HG2 THR 25 2HG2 THR 25 -3.965 -18.970 5.881
173 3HG2 THR 25 3HG2 THR 25 -5.142 -20.275 6.038
174 H SER 26 H SER 26 -2.795 -17.539 6.261
175 HA SER 26 HA SER 26 -1.716 -17.950 8.935
176 1HB SER 26 1HB SER 26 -0.888 -18.110 6.108
177 2HB SER 26 2HB SER 26 0.412 -17.672 7.213
178 HG SER 26 HG SER 26 -0.708 -20.056 6.807
179 H GLY 27 H GLY 27 -2.050 -15.229 6.778
180 1HA GLY 27 1HA GLY 27 -1.719 -13.127 8.411
181 2HA GLY 27 2HA GLY 27 -0.038 -13.636 8.246
182 H THR 28 H THR 28 -0.551 -11.154 7.334
183 HA THR 28 HA THR 28 -1.285 -11.176 4.488
184 HB THR 28 HB THR 28 0.052 -8.926 5.980
185 HG1 THR 28 HG1 THR 28 -2.273 -8.496 6.576
186 1HG2 THR 28 1HG2 THR 28 -1.296 -7.547 4.582
187 2HG2 THR 28 2HG2 THR 28 -2.335 -8.899 4.129
188 3HG2 THR 28 3HG2 THR 28 -0.677 -8.822 3.532
189 H TYR 29 H TYR 29 0.195 -11.849 2.981
190 HA TYR 29 HA TYR 29 3.103 -11.394 3.564
191 1HB TYR 29 1HB TYR 29 3.464 -13.355 2.143
192 2HB TYR 29 2HB TYR 29 2.288 -13.748 3.394
193 HD1 TYR 29 HD1 TYR 29 2.790 -13.087 -0.192
194 HD2 TYR 29 HD2 TYR 29 -0.083 -14.040 2.857
195 HE1 TYR 29 HE1 TYR 29 1.139 -13.700 -1.940
196 HE2 TYR 29 HE2 TYR 29 -1.733 -14.651 1.110
197 HH TYR 29 HH TYR 29 -1.364 -13.838 -2.134
198 H TYR 30 H TYR 30 3.971 -11.907 0.912
199 HA TYR 30 HA TYR 30 2.728 -9.667 -0.644
200 1HB TYR 30 1HB TYR 30 5.666 -10.272 -0.170
201 2HB TYR 30 2HB TYR 30 5.054 -8.984 -1.207
202 HD1 TYR 30 HD1 TYR 30 3.804 -7.069 -0.234
203 HD2 TYR 30 HD2 TYR 30 5.623 -10.076 2.234
204 HE1 TYR 30 HE1 TYR 30 3.595 -5.578 1.737
205 HE2 TYR 30 HE2 TYR 30 5.415 -8.586 4.204
206 HH TYR 30 HH TYR 30 5.232 -5.755 4.356
207 H TRP 31 H TRP 31 2.169 -10.364 -2.667
208 HA TRP 31 HA TRP 31 3.212 -12.961 -3.647
209 1HB TRP 31 1HB TRP 31 0.851 -12.649 -3.755
210 2HB TRP 31 2HB TRP 31 1.020 -11.037 -4.447
211 HD1 TRP 31 HD1 TRP 31 3.223 -13.807 -5.776
212 HE1 TRP 31 HE1 TRP 31 2.505 -14.387 -8.183
213 HE3 TRP 31 HE3 TRP 31 -1.092 -11.094 -6.088
214 HZ2 TRP 31 HZ2 TRP 31 0.383 -13.780 -10.001
215 HZ3 TRP 31 HZ3 TRP 31 -2.441 -11.112 -8.168
216 HH2 TRP 31 HH2 TRP 31 -1.710 -12.452 -10.123
217 H HIS 32 H HIS 32 4.822 -13.051 -5.153
218 HA HIS 32 HA HIS 32 5.831 -10.548 -6.348
219 1HB HIS 32 1HB HIS 32 7.107 -12.543 -5.236
220 2HB HIS 32 2HB HIS 32 6.892 -13.337 -6.792
221 HD1 HIS 32 HD1 HIS 32 7.398 -9.622 -6.633
222 HD2 HIS 32 HD2 HIS 32 9.664 -13.027 -7.431
223 HE1 HIS 32 HE1 HIS 32 9.582 -8.811 -7.620
224 H ILE 33 H ILE 33 4.745 -9.909 -8.152
225 HA ILE 33 HA ILE 33 3.217 -11.599 -9.882
226 HB ILE 33 HB ILE 33 4.390 -8.844 -10.342
227 1HG1 ILE 33 1HG1 ILE 33 1.900 -9.782 -8.882
228 2HG1 ILE 33 2HG1 ILE 33 3.230 -8.826 -8.229
229 1HG2 ILE 33 1HG2 ILE 33 2.823 -10.530 -11.986
230 2HG2 ILE 33 2HG2 ILE 33 3.174 -8.820 -12.237
231 3HG2 ILE 33 3HG2 ILE 33 1.725 -9.303 -11.354
232 1HD1 ILE 33 1HD1 ILE 33 2.226 -6.928 -8.892
233 2HD1 ILE 33 2HD1 ILE 33 0.860 -7.876 -9.478
234 3HD1 ILE 33 3HD1 ILE 33 2.202 -7.502 -10.560
235 HA PRO 34 HA PRO 34 6.899 -11.101 -12.923
236 1HB PRO 34 1HB PRO 34 9.395 -10.838 -11.830
237 2HB PRO 34 2HB PRO 34 8.376 -9.458 -12.286
238 1HG PRO 34 1HG PRO 34 8.883 -10.633 -9.606
239 2HG PRO 34 2HG PRO 34 8.664 -8.941 -10.077
240 1HD PRO 34 1HD PRO 34 6.733 -10.471 -8.892
241 2HD PRO 34 2HD PRO 34 6.389 -9.062 -9.919
242 H THR 35 H THR 35 7.630 -12.697 -9.818
243 HA THR 35 HA THR 35 8.525 -15.097 -11.380
244 HB THR 35 HB THR 35 9.196 -14.924 -8.535
245 HG1 THR 35 HG1 THR 35 10.429 -13.111 -10.314
246 1HG2 THR 35 1HG2 THR 35 10.184 -16.070 -10.931
247 2HG2 THR 35 2HG2 THR 35 10.821 -16.269 -9.299
248 3HG2 THR 35 3HG2 THR 35 11.431 -14.976 -10.332
249 H GLY 36 H GLY 36 6.745 -14.046 -8.480
250 1HA GLY 36 1HA GLY 36 4.513 -15.064 -8.073
251 2HA GLY 36 2HA GLY 36 5.180 -16.589 -8.656
252 H THR 37 H THR 37 7.630 -15.273 -6.934
253 HA THR 37 HA THR 37 7.391 -17.118 -4.743
254 HB THR 37 HB THR 37 9.065 -14.653 -4.561
255 HG1 THR 37 HG1 THR 37 10.333 -15.274 -6.235
256 1HG2 THR 37 1HG2 THR 37 9.801 -16.115 -2.976
257 2HG2 THR 37 2HG2 THR 37 10.712 -16.784 -4.329
258 3HG2 THR 37 3HG2 THR 37 9.187 -17.523 -3.842
259 H THR 38 H THR 38 6.957 -16.650 -2.515
260 HA THR 38 HA THR 38 5.384 -14.132 -2.064
261 HB THR 38 HB THR 38 4.647 -15.967 -0.123
262 HG1 THR 38 HG1 THR 38 5.021 -17.881 -0.853
263 1HG2 THR 38 1HG2 THR 38 3.020 -16.341 -2.457
264 2HG2 THR 38 2HG2 THR 38 3.523 -14.653 -2.374
265 3HG2 THR 38 3HG2 THR 38 2.670 -15.386 -1.016
266 H GLN 39 H GLN 39 5.406 -13.534 0.382
267 HA GLN 39 HA GLN 39 7.901 -14.329 1.786
268 1HB GLN 39 1HB GLN 39 7.197 -11.497 0.941
269 2HB GLN 39 2HB GLN 39 8.573 -11.939 1.952
270 1HG GLN 39 1HG GLN 39 9.166 -13.558 -0.022
271 2HG GLN 39 2HG GLN 39 8.120 -12.496 -0.966
272 1HE2 GLN 39 1HE2 GLN 39 11.226 -12.886 -0.779
273 2HE2 GLN 39 2HE2 GLN 39 11.802 -11.295 -0.647
274 H TRP 40 H TRP 40 7.636 -11.942 3.536
275 HA TRP 40 HA TRP 40 4.964 -12.311 4.789
276 1HB TRP 40 1HB TRP 40 7.661 -12.914 6.039
277 2HB TRP 40 2HB TRP 40 6.173 -12.762 6.973
278 HD1 TRP 40 HD1 TRP 40 8.135 -15.177 4.943
279 HE1 TRP 40 HE1 TRP 40 6.817 -17.374 4.650
280 HE3 TRP 40 HE3 TRP 40 3.554 -13.694 6.645
281 HZ2 TRP 40 HZ2 TRP 40 4.172 -18.371 5.082
282 HZ3 TRP 40 HZ3 TRP 40 1.656 -15.286 6.694
283 HH2 TRP 40 HH2 TRP 40 1.958 -17.621 5.915
284 H GLU 41 H GLU 41 8.115 -10.661 4.795
285 HA GLU 41 HA GLU 41 6.912 -8.342 6.235
286 1HB GLU 41 1HB GLU 41 9.720 -9.254 5.555
287 2HB GLU 41 2HB GLU 41 9.388 -7.679 6.276
288 1HG GLU 41 1HG GLU 41 7.918 -9.544 7.799
289 2HG GLU 41 2HG GLU 41 9.509 -10.265 7.558
290 HA PRO 42 HA PRO 42 6.816 -5.846 2.626
291 1HB PRO 42 1HB PRO 42 7.722 -3.431 3.540
292 2HB PRO 42 2HB PRO 42 6.125 -4.084 3.954
293 1HG PRO 42 1HG PRO 42 8.632 -4.057 5.557
294 2HG PRO 42 2HG PRO 42 6.956 -3.820 6.077
295 1HD PRO 42 1HD PRO 42 8.326 -6.156 6.417
296 2HD PRO 42 2HD PRO 42 6.557 -6.065 6.259
297 HA PRO 43 HA PRO 43 11.062 -6.309 1.253
298 1HB PRO 43 1HB PRO 43 10.502 -6.109 -1.418
299 2HB PRO 43 2HB PRO 43 10.238 -7.594 -0.486
300 1HG PRO 43 1HG PRO 43 8.280 -5.536 -1.360
301 2HG PRO 43 2HG PRO 43 8.101 -7.294 -1.254
302 1HD PRO 43 1HD PRO 43 7.098 -5.538 0.594
303 2HD PRO 43 2HD PRO 43 7.517 -7.228 0.952
304 H GLY 44 H GLY 44 12.625 -4.776 0.605
305 1HA GLY 44 1HA GLY 44 11.642 -2.142 -0.376
306 2HA GLY 44 2HA GLY 44 12.675 -2.190 1.053
307 H ARG 45 H ARG 45 12.934 -1.348 -1.987
308 HA ARG 45 HA ARG 45 15.474 -2.820 -2.558
309 1HB ARG 45 1HB ARG 45 13.261 -2.273 -4.087
310 2HB ARG 45 2HB ARG 45 14.334 -0.948 -4.539
311 1HG ARG 45 1HG ARG 45 15.119 -3.877 -4.557
312 2HG ARG 45 2HG ARG 45 14.637 -2.960 -5.984
313 1HD ARG 45 1HD ARG 45 16.798 -2.306 -6.202
314 2HD ARG 45 2HD ARG 45 16.623 -1.404 -4.683
315 HE ARG 45 HE ARG 45 17.456 -3.347 -3.480
316 1HH1 ARG 45 1HH1 ARG 45 16.691 -4.304 -6.638
317 2HH1 ARG 45 2HH1 ARG 45 18.039 -5.377 -6.813
318 1HH2 ARG 45 1HH2 ARG 45 19.501 -4.455 -3.807
319 2HH2 ARG 45 2HH2 ARG 45 19.631 -5.462 -5.210
320 H ALA 46 H ALA 46 16.584 -1.451 -0.880
321 HA ALA 46 HA ALA 46 16.766 1.327 -0.777
322 1HB ALA 46 1HB ALA 46 19.053 -0.662 -0.617
323 2HB ALA 46 2HB ALA 46 17.891 -0.377 0.679
324 3HB ALA 46 3HB ALA 46 18.980 0.915 0.171
325 H SER 47 H SER 47 18.731 2.651 -1.601
326 HA SER 47 HA SER 47 19.745 3.651 -3.493
327 1HB SER 47 1HB SER 47 20.685 1.057 -2.993
328 2HB SER 47 2HB SER 47 20.431 1.105 -4.734
329 HG SER 47 HG SER 47 21.776 3.147 -3.301
330 HA PRO 48 HA PRO 48 16.108 2.574 -6.171
331 1HB PRO 48 1HB PRO 48 15.106 5.117 -6.300
332 2HB PRO 48 2HB PRO 48 14.678 3.976 -5.011
333 1HG PRO 48 1HG PRO 48 16.603 6.241 -4.969
334 2HG PRO 48 2HG PRO 48 15.501 5.673 -3.707
335 1HD PRO 48 1HD PRO 48 18.182 5.134 -3.743
336 2HD PRO 48 2HD PRO 48 16.973 4.097 -2.951
337 H SER 49 H SER 49 17.280 2.272 -8.082
338 HA SER 49 HA SER 49 18.283 2.853 -10.143
339 1HB SER 49 1HB SER 49 17.127 5.570 -9.453
340 2HB SER 49 2HB SER 49 17.498 4.961 -11.063
341 HG SER 49 HG SER 49 15.479 4.343 -10.977
342 H GLN 50 H GLN 50 19.719 3.294 -7.496
343 HA GLN 50 HA GLN 50 22.081 4.596 -8.571
344 1HB GLN 50 1HB GLN 50 21.965 6.513 -6.919
345 2HB GLN 50 2HB GLN 50 20.749 6.582 -8.195
346 1HG GLN 50 1HG GLN 50 19.083 6.481 -6.686
347 2HG GLN 50 2HG GLN 50 19.763 5.017 -5.975
348 1HE2 GLN 50 1HE2 GLN 50 19.457 8.479 -5.588
349 2HE2 GLN 50 2HE2 GLN 50 20.321 8.591 -4.132
Start of MODEL 11
1 H ASP 1 H ASP 1 6.876 -5.385 19.751
2 HA ASP 1 HA ASP 1 5.694 -4.476 21.504
3 1HB ASP 1 1HB ASP 1 7.110 -6.711 22.886
4 2HB ASP 1 2HB ASP 1 6.614 -5.341 23.880
5 H SER 2 H SER 2 6.379 -2.400 21.841
6 HA SER 2 HA SER 2 7.831 -0.577 22.242
7 1HB SER 2 1HB SER 2 8.376 -2.746 24.150
8 2HB SER 2 2HB SER 2 9.725 -1.629 23.963
9 HG SER 2 HG SER 2 7.112 -0.633 24.227
10 H PHE 3 H PHE 3 8.483 -2.590 20.053
11 HA PHE 3 HA PHE 3 11.184 -3.212 19.765
12 1HB PHE 3 1HB PHE 3 8.849 -2.757 18.119
13 2HB PHE 3 2HB PHE 3 10.291 -2.166 17.293
14 HD1 PHE 3 HD1 PHE 3 12.334 -4.032 18.461
15 HD2 PHE 3 HD2 PHE 3 8.387 -4.766 16.933
16 HE1 PHE 3 HE1 PHE 3 12.979 -6.363 17.915
17 HE2 PHE 3 HE2 PHE 3 9.032 -7.097 16.387
18 HZ PHE 3 HZ PHE 3 11.327 -7.896 16.879
19 H TRP 4 H TRP 4 9.622 -0.054 19.188
20 HA TRP 4 HA TRP 4 11.882 1.500 19.928
21 1HB TRP 4 1HB TRP 4 12.153 0.142 17.467
22 2HB TRP 4 2HB TRP 4 11.852 1.828 17.049
23 HD1 TRP 4 HD1 TRP 4 13.655 0.857 20.267
24 HE1 TRP 4 HE1 TRP 4 16.090 1.694 20.143
25 HE3 TRP 4 HE3 TRP 4 13.793 2.455 15.418
26 HZ2 TRP 4 HZ2 TRP 4 17.862 2.885 18.238
27 HZ3 TRP 4 HZ3 TRP 4 15.865 3.435 14.476
28 HH2 TRP 4 HH2 TRP 4 17.897 3.652 15.879
29 H ASN 5 H ASN 5 9.333 1.391 17.412
30 HA ASN 5 HA ASN 5 8.489 4.132 18.301
31 1HB ASN 5 1HB ASN 5 9.548 3.743 15.980
32 2HB ASN 5 2HB ASN 5 8.055 2.895 15.577
33 1HD2 ASN 5 1HD2 ASN 5 9.010 5.480 14.435
34 2HD2 ASN 5 2HD2 ASN 5 7.807 6.622 14.798
35 HA PRO 6 HA PRO 6 4.872 1.665 19.335
36 1HB PRO 6 1HB PRO 6 3.633 3.643 20.766
37 2HB PRO 6 2HB PRO 6 4.932 2.636 21.435
38 1HG PRO 6 1HG PRO 6 5.049 5.409 20.365
39 2HG PRO 6 2HG PRO 6 5.892 4.696 21.748
40 1HD PRO 6 1HD PRO 6 7.064 5.123 19.320
41 2HD PRO 6 2HD PRO 6 7.577 3.852 20.452
42 H ASN 7 H ASN 7 5.055 4.805 17.785
43 HA ASN 7 HA ASN 7 2.250 4.549 16.794
44 1HB ASN 7 1HB ASN 7 3.496 6.640 17.881
45 2HB ASN 7 2HB ASN 7 4.052 6.873 16.223
46 1HD2 ASN 7 1HD2 ASN 7 2.687 8.260 15.100
47 2HD2 ASN 7 2HD2 ASN 7 1.004 8.353 15.301
48 H ALA 8 H ALA 8 4.158 2.717 15.717
49 HA ALA 8 HA ALA 8 4.183 3.628 12.877
50 1HB ALA 8 1HB ALA 8 6.422 3.913 13.005
51 2HB ALA 8 2HB ALA 8 6.576 2.188 13.337
52 3HB ALA 8 3HB ALA 8 6.434 3.334 14.670
53 H PHE 9 H PHE 9 2.346 1.817 13.982
54 HA PHE 9 HA PHE 9 3.377 -0.895 13.278
55 1HB PHE 9 1HB PHE 9 1.169 0.269 14.935
56 2HB PHE 9 2HB PHE 9 0.954 -1.358 14.288
57 HD1 PHE 9 HD1 PHE 9 2.870 -3.054 14.668
58 HD2 PHE 9 HD2 PHE 9 2.468 0.614 16.868
59 HE1 PHE 9 HE1 PHE 9 4.340 -3.960 16.449
60 HE2 PHE 9 HE2 PHE 9 3.938 -0.293 18.648
61 HZ PHE 9 HZ PHE 9 4.874 -2.580 18.438
62 H GLU 10 H GLU 10 3.014 0.773 11.056
63 HA GLU 10 HA GLU 10 0.380 -0.081 9.910
64 1HB GLU 10 1HB GLU 10 2.254 2.227 9.571
65 2HB GLU 10 2HB GLU 10 1.278 1.749 8.181
66 1HG GLU 10 1HG GLU 10 -0.659 1.718 10.015
67 2HG GLU 10 2HG GLU 10 0.410 2.875 10.809
68 H THR 11 H THR 11 0.401 -0.996 7.748
69 HA THR 11 HA THR 11 2.712 -2.706 7.216
70 HB THR 11 HB THR 11 0.475 -2.340 5.275
71 HG1 THR 11 HG1 THR 11 0.171 -3.368 7.900
72 1HG2 THR 11 1HG2 THR 11 1.146 -4.927 6.571
73 2HG2 THR 11 2HG2 THR 11 2.403 -4.203 5.569
74 3HG2 THR 11 3HG2 THR 11 0.823 -4.569 4.875
75 H ASP 12 H ASP 12 3.032 -2.778 4.532
76 HA ASP 12 HA ASP 12 4.634 -0.465 3.940
77 1HB ASP 12 1HB ASP 12 3.505 -2.654 2.162
78 2HB ASP 12 2HB ASP 12 4.866 -1.607 1.760
79 H SER 13 H SER 13 3.681 1.512 3.582
80 HA SER 13 HA SER 13 0.992 1.882 2.616
81 1HB SER 13 1HB SER 13 1.474 4.050 3.155
82 2HB SER 13 2HB SER 13 2.934 3.361 3.861
83 HG SER 13 HG SER 13 3.051 5.151 2.179
84 H ASP 14 H ASP 14 3.797 0.928 0.991
85 HA ASP 14 HA ASP 14 2.550 1.111 -1.616
86 1HB ASP 14 1HB ASP 14 4.040 2.841 -2.536
87 2HB ASP 14 2HB ASP 14 3.135 3.487 -1.168
88 H LEU 15 H LEU 15 3.245 -1.057 -1.849
89 HA LEU 15 HA LEU 15 5.897 -2.006 -1.270
90 1HB LEU 15 1HB LEU 15 3.501 -2.902 -2.847
91 2HB LEU 15 2HB LEU 15 5.002 -3.816 -2.977
92 HG LEU 15 HG LEU 15 3.632 -4.775 -1.201
93 1HD1 LEU 15 1HD1 LEU 15 5.770 -3.166 0.193
94 2HD1 LEU 15 2HD1 LEU 15 6.187 -4.437 -0.956
95 3HD1 LEU 15 3HD1 LEU 15 5.273 -4.829 0.500
96 1HD2 LEU 15 1HD2 LEU 15 2.437 -2.529 -0.800
97 2HD2 LEU 15 2HD2 LEU 15 3.804 -2.120 0.235
98 3HD2 LEU 15 3HD2 LEU 15 2.787 -3.506 0.626
99 HA PRO 16 HA PRO 16 8.192 -0.842 -4.822
100 1HB PRO 16 1HB PRO 16 9.479 -3.147 -5.556
101 2HB PRO 16 2HB PRO 16 9.918 -2.207 -4.115
102 1HG PRO 16 1HG PRO 16 8.274 -4.682 -4.330
103 2HG PRO 16 2HG PRO 16 9.481 -4.231 -3.115
104 1HD PRO 16 1HD PRO 16 6.808 -4.047 -2.682
105 2HD PRO 16 2HD PRO 16 7.989 -2.968 -1.910
106 H ALA 17 H ALA 17 8.836 -2.229 -7.160
107 HA ALA 17 HA ALA 17 6.189 -2.348 -8.484
108 1HB ALA 17 1HB ALA 17 8.000 -0.970 -9.399
109 2HB ALA 17 2HB ALA 17 7.622 -2.276 -10.523
110 3HB ALA 17 3HB ALA 17 9.050 -2.383 -9.493
111 H GLY 18 H GLY 18 5.232 -4.281 -8.943
112 1HA GLY 18 1HA GLY 18 5.193 -6.508 -9.842
113 2HA GLY 18 2HA GLY 18 6.918 -6.647 -9.521
114 H TRP 19 H TRP 19 5.305 -5.304 -6.860
115 HA TRP 19 HA TRP 19 5.163 -8.006 -5.563
116 1HB TRP 19 1HB TRP 19 6.293 -5.349 -4.767
117 2HB TRP 19 2HB TRP 19 5.654 -6.397 -3.501
118 HD1 TRP 19 HD1 TRP 19 8.590 -5.930 -5.750
119 HE1 TRP 19 HE1 TRP 19 10.281 -7.848 -5.414
120 HE3 TRP 19 HE3 TRP 19 5.766 -9.112 -2.923
121 HZ2 TRP 19 HZ2 TRP 19 10.415 -10.399 -4.120
122 HZ3 TRP 19 HZ3 TRP 19 6.699 -11.277 -2.156
123 HH2 TRP 19 HH2 TRP 19 9.017 -11.921 -2.750
124 H MET 20 H MET 20 3.271 -8.446 -4.427
125 HA MET 20 HA MET 20 1.213 -6.261 -4.345
126 1HB MET 20 1HB MET 20 0.832 -9.259 -4.593
127 2HB MET 20 2HB MET 20 -0.403 -8.019 -4.796
128 1HG MET 20 1HG MET 20 2.078 -8.217 -6.522
129 2HG MET 20 2HG MET 20 0.517 -8.907 -6.966
130 1HE MET 20 1HE MET 20 -1.914 -6.564 -7.256
131 2HE MET 20 2HE MET 20 -1.191 -8.124 -7.643
132 3HE MET 20 3HE MET 20 -1.102 -6.805 -8.809
133 H ARG 21 H ARG 21 -0.471 -6.674 -2.607
134 HA ARG 21 HA ARG 21 0.790 -7.864 -0.156
135 1HB ARG 21 1HB ARG 21 0.723 -5.499 0.097
136 2HB ARG 21 2HB ARG 21 -0.869 -5.386 -0.654
137 1HG ARG 21 1HG ARG 21 -1.813 -6.674 1.276
138 2HG ARG 21 2HG ARG 21 -0.227 -6.605 2.046
139 1HD ARG 21 1HD ARG 21 -0.542 -4.454 2.711
140 2HD ARG 21 2HD ARG 21 -1.163 -3.976 1.118
141 HE ARG 21 HE ARG 21 -2.956 -5.658 2.756
142 1HH1 ARG 21 1HH1 ARG 21 -1.881 -2.460 2.157
143 2HH1 ARG 21 2HH1 ARG 21 -3.463 -1.759 2.249
144 1HH2 ARG 21 1HH2 ARG 21 -5.078 -4.801 2.643
145 2HH2 ARG 21 2HH2 ARG 21 -5.272 -3.085 2.524
146 H VAL 22 H VAL 22 -0.299 -9.786 0.190
147 HA VAL 22 HA VAL 22 -3.256 -9.833 -0.303
148 HB VAL 22 HB VAL 22 -1.286 -12.119 -0.057
149 1HG1 VAL 22 1HG1 VAL 22 -4.075 -11.914 -1.234
150 2HG1 VAL 22 2HG1 VAL 22 -3.647 -12.720 0.276
151 3HG1 VAL 22 3HG1 VAL 22 -3.063 -13.358 -1.262
152 1HG2 VAL 22 1HG2 VAL 22 -2.214 -11.649 -2.741
153 2HG2 VAL 22 2HG2 VAL 22 -0.556 -11.659 -2.140
154 3HG2 VAL 22 3HG2 VAL 22 -1.493 -10.166 -2.115
155 H GLN 23 H GLN 23 -4.467 -11.292 1.212
156 HA GLN 23 HA GLN 23 -3.336 -11.187 3.991
157 1HB GLN 23 1HB GLN 23 -5.165 -9.575 3.511
158 2HB GLN 23 2HB GLN 23 -6.199 -10.913 3.013
159 1HG GLN 23 1HG GLN 23 -6.595 -11.578 5.156
160 2HG GLN 23 2HG GLN 23 -4.945 -11.227 5.672
161 1HE2 GLN 23 1HE2 GLN 23 -6.766 -8.732 3.991
162 2HE2 GLN 23 2HE2 GLN 23 -7.027 -7.745 5.346
163 H ASP 24 H ASP 24 -2.535 -13.428 3.571
164 HA ASP 24 HA ASP 24 -4.375 -15.564 2.894
165 1HB ASP 24 1HB ASP 24 -1.588 -15.115 3.317
166 2HB ASP 24 2HB ASP 24 -2.081 -16.491 4.302
167 H THR 25 H THR 25 -4.477 -17.503 4.546
168 HA THR 25 HA THR 25 -6.019 -16.691 6.814
169 HB THR 25 HB THR 25 -5.888 -19.101 7.355
170 HG1 THR 25 HG1 THR 25 -3.570 -19.115 6.707
171 1HG2 THR 25 1HG2 THR 25 -6.811 -19.943 5.291
172 2HG2 THR 25 2HG2 THR 25 -5.987 -18.694 4.357
173 3HG2 THR 25 3HG2 THR 25 -7.303 -18.256 5.448
174 H SER 26 H SER 26 -2.585 -17.112 6.362
175 HA SER 26 HA SER 26 -1.984 -17.348 9.228
176 1HB SER 26 1HB SER 26 -0.655 -17.559 6.639
177 2HB SER 26 2HB SER 26 0.328 -16.677 7.804
178 HG SER 26 HG SER 26 -0.908 -19.202 8.234
179 H GLY 27 H GLY 27 -2.139 -14.813 6.787
180 1HA GLY 27 1HA GLY 27 -2.565 -12.638 8.394
181 2HA GLY 27 2HA GLY 27 -0.813 -12.830 8.486
182 H THR 28 H THR 28 -0.878 -10.643 7.402
183 HA THR 28 HA THR 28 -1.611 -10.706 4.527
184 HB THR 28 HB THR 28 -0.471 -8.467 6.224
185 HG1 THR 28 HG1 THR 28 -2.294 -8.707 7.243
186 1HG2 THR 28 1HG2 THR 28 -1.084 -8.684 3.479
187 2HG2 THR 28 2HG2 THR 28 -0.707 -7.212 4.375
188 3HG2 THR 28 3HG2 THR 28 -2.383 -7.729 4.191
189 H TYR 29 H TYR 29 -0.026 -11.521 3.187
190 HA TYR 29 HA TYR 29 2.828 -10.894 3.868
191 1HB TYR 29 1HB TYR 29 3.347 -12.966 2.704
192 2HB TYR 29 2HB TYR 29 2.067 -13.288 3.870
193 HD1 TYR 29 HD1 TYR 29 2.947 -13.080 0.327
194 HD2 TYR 29 HD2 TYR 29 -0.284 -13.561 3.118
195 HE1 TYR 29 HE1 TYR 29 1.487 -13.900 -1.503
196 HE2 TYR 29 HE2 TYR 29 -1.743 -14.380 1.287
197 HH TYR 29 HH TYR 29 -0.675 -14.326 -2.075
198 H TYR 30 H TYR 30 3.776 -11.682 1.257
199 HA TYR 30 HA TYR 30 2.602 -9.532 -0.474
200 1HB TYR 30 1HB TYR 30 5.495 -10.222 0.124
201 2HB TYR 30 2HB TYR 30 4.996 -9.078 -1.124
202 HD1 TYR 30 HD1 TYR 30 3.359 -7.175 -0.350
203 HD2 TYR 30 HD2 TYR 30 5.847 -9.456 2.308
204 HE1 TYR 30 HE1 TYR 30 3.168 -5.390 1.362
205 HE2 TYR 30 HE2 TYR 30 5.655 -7.671 4.019
206 HH TYR 30 HH TYR 30 4.938 -5.601 4.441
207 H TRP 31 H TRP 31 2.370 -10.105 -2.635
208 HA TRP 31 HA TRP 31 3.233 -12.874 -3.385
209 1HB TRP 31 1HB TRP 31 0.874 -12.686 -3.427
210 2HB TRP 31 2HB TRP 31 0.929 -11.071 -4.124
211 HD1 TRP 31 HD1 TRP 31 3.143 -13.795 -5.559
212 HE1 TRP 31 HE1 TRP 31 2.322 -14.388 -7.930
213 HE3 TRP 31 HE3 TRP 31 -1.226 -11.153 -5.668
214 HZ2 TRP 31 HZ2 TRP 31 0.105 -13.817 -9.647
215 HZ3 TRP 31 HZ3 TRP 31 -2.672 -11.197 -7.680
216 HH2 TRP 31 HH2 TRP 31 -2.013 -12.524 -9.667
217 H HIS 32 H HIS 32 4.967 -12.866 -4.723
218 HA HIS 32 HA HIS 32 5.813 -10.488 -6.185
219 1HB HIS 32 1HB HIS 32 7.025 -12.645 -5.059
220 2HB HIS 32 2HB HIS 32 7.000 -13.152 -6.748
221 HD1 HIS 32 HD1 HIS 32 9.736 -12.596 -5.754
222 HD2 HIS 32 HD2 HIS 32 7.311 -9.525 -7.190
223 HE1 HIS 32 HE1 HIS 32 11.288 -10.709 -6.418
224 H ILE 33 H ILE 33 4.684 -9.955 -7.986
225 HA ILE 33 HA ILE 33 3.169 -11.753 -9.626
226 HB ILE 33 HB ILE 33 4.291 -8.975 -10.114
227 1HG1 ILE 33 1HG1 ILE 33 1.648 -9.927 -8.955
228 2HG1 ILE 33 2HG1 ILE 33 2.943 -9.127 -8.063
229 1HG2 ILE 33 1HG2 ILE 33 1.988 -9.017 -11.484
230 2HG2 ILE 33 2HG2 ILE 33 2.383 -10.733 -11.593
231 3HG2 ILE 33 3HG2 ILE 33 3.510 -9.527 -12.213
232 1HD1 ILE 33 1HD1 ILE 33 2.072 -7.674 -10.473
233 2HD1 ILE 33 2HD1 ILE 33 2.374 -7.072 -8.843
234 3HD1 ILE 33 3HD1 ILE 33 0.827 -7.825 -9.233
235 HA PRO 34 HA PRO 34 6.856 -11.344 -12.665
236 1HB PRO 34 1HB PRO 34 9.302 -10.706 -11.625
237 2HB PRO 34 2HB PRO 34 8.149 -9.494 -12.216
238 1HG PRO 34 1HG PRO 34 8.793 -10.297 -9.437
239 2HG PRO 34 2HG PRO 34 8.354 -8.709 -10.084
240 1HD PRO 34 1HD PRO 34 6.651 -10.379 -8.711
241 2HD PRO 34 2HD PRO 34 6.129 -9.085 -9.808
242 H THR 35 H THR 35 8.350 -12.256 -9.513
243 HA THR 35 HA THR 35 9.456 -14.702 -10.730
244 HB THR 35 HB THR 35 10.575 -14.897 -8.593
245 HG1 THR 35 HG1 THR 35 9.722 -14.129 -6.832
246 1HG2 THR 35 1HG2 THR 35 10.753 -12.666 -10.228
247 2HG2 THR 35 2HG2 THR 35 11.901 -13.106 -8.964
248 3HG2 THR 35 3HG2 THR 35 10.597 -11.971 -8.615
249 H GLY 36 H GLY 36 6.572 -13.802 -9.099
250 1HA GLY 36 1HA GLY 36 4.712 -15.105 -8.487
251 2HA GLY 36 2HA GLY 36 5.513 -16.486 -9.239
252 H THR 37 H THR 37 7.639 -15.102 -7.063
253 HA THR 37 HA THR 37 7.331 -17.328 -5.181
254 HB THR 37 HB THR 37 9.089 -14.878 -4.980
255 HG1 THR 37 HG1 THR 37 9.220 -17.123 -6.657
256 1HG2 THR 37 1HG2 THR 37 9.754 -15.988 -3.141
257 2HG2 THR 37 2HG2 THR 37 10.492 -17.154 -4.241
258 3HG2 THR 37 3HG2 THR 37 8.870 -17.440 -3.611
259 H THR 38 H THR 38 7.082 -16.930 -2.832
260 HA THR 38 HA THR 38 5.440 -14.481 -2.255
261 HB THR 38 HB THR 38 4.768 -16.483 -0.418
262 HG1 THR 38 HG1 THR 38 4.545 -17.693 -2.911
263 1HG2 THR 38 1HG2 THR 38 2.942 -16.597 -2.579
264 2HG2 THR 38 2HG2 THR 38 3.573 -14.951 -2.541
265 3HG2 THR 38 3HG2 THR 38 2.806 -15.634 -1.107
266 H GLN 39 H GLN 39 5.754 -13.548 -0.137
267 HA GLN 39 HA GLN 39 8.011 -14.646 1.484
268 1HB GLN 39 1HB GLN 39 7.744 -11.924 0.194
269 2HB GLN 39 2HB GLN 39 8.810 -12.191 1.575
270 1HG GLN 39 1HG GLN 39 9.615 -14.252 0.083
271 2HG GLN 39 2HG GLN 39 9.038 -13.213 -1.221
272 1HE2 GLN 39 1HE2 GLN 39 11.540 -13.265 -1.662
273 2HE2 GLN 39 2HE2 GLN 39 12.457 -12.053 -0.904
274 H TRP 40 H TRP 40 8.183 -12.786 3.437
275 HA TRP 40 HA TRP 40 5.387 -12.270 4.379
276 1HB TRP 40 1HB TRP 40 7.660 -13.726 5.753
277 2HB TRP 40 2HB TRP 40 6.236 -13.148 6.619
278 HD1 TRP 40 HD1 TRP 40 7.321 -15.679 3.972
279 HE1 TRP 40 HE1 TRP 40 5.449 -17.428 3.679
280 HE3 TRP 40 HE3 TRP 40 3.685 -13.574 6.874
281 HZ2 TRP 40 HZ2 TRP 40 2.764 -17.875 4.559
282 HZ3 TRP 40 HZ3 TRP 40 1.482 -14.681 7.129
283 HH2 TRP 40 HH2 TRP 40 1.017 -16.826 5.977
284 H GLU 41 H GLU 41 8.352 -10.956 3.707
285 HA GLU 41 HA GLU 41 8.138 -8.933 5.913
286 1HB GLU 41 1HB GLU 41 10.546 -9.540 4.185
287 2HB GLU 41 2HB GLU 41 10.512 -8.718 5.744
288 1HG GLU 41 1HG GLU 41 9.821 -10.789 6.855
289 2HG GLU 41 2HG GLU 41 9.771 -11.625 5.301
290 HA PRO 42 HA PRO 42 7.294 -5.909 2.840
291 1HB PRO 42 1HB PRO 42 8.327 -3.685 4.053
292 2HB PRO 42 2HB PRO 42 6.824 -4.466 4.585
293 1HG PRO 42 1HG PRO 42 9.556 -4.632 5.743
294 2HG PRO 42 2HG PRO 42 7.984 -4.593 6.557
295 1HD PRO 42 1HD PRO 42 9.459 -6.871 6.174
296 2HD PRO 42 2HD PRO 42 7.694 -6.849 6.376
297 HA PRO 43 HA PRO 43 11.340 -6.014 0.842
298 1HB PRO 43 1HB PRO 43 10.358 -5.692 -1.693
299 2HB PRO 43 2HB PRO 43 10.369 -7.257 -0.854
300 1HG PRO 43 1HG PRO 43 8.132 -5.341 -1.256
301 2HG PRO 43 2HG PRO 43 8.121 -7.112 -1.275
302 1HD PRO 43 1HD PRO 43 7.267 -5.606 0.845
303 2HD PRO 43 2HD PRO 43 7.894 -7.263 0.994
304 H GLY 44 H GLY 44 8.743 -3.734 -0.106
305 1HA GLY 44 1HA GLY 44 8.865 -1.463 -0.708
306 2HA GLY 44 2HA GLY 44 10.008 -1.361 0.632
307 H ARG 45 H ARG 45 11.152 0.260 -0.679
308 HA ARG 45 HA ARG 45 12.886 -1.020 -2.768
309 1HB ARG 45 1HB ARG 45 11.126 1.331 -2.787
310 2HB ARG 45 2HB ARG 45 12.756 1.685 -3.362
311 1HG ARG 45 1HG ARG 45 11.978 -0.814 -4.489
312 2HG ARG 45 2HG ARG 45 10.649 0.320 -4.741
313 1HD ARG 45 1HD ARG 45 11.868 1.613 -6.187
314 2HD ARG 45 2HD ARG 45 13.364 1.413 -5.253
315 HE ARG 45 HE ARG 45 13.271 -1.028 -6.177
316 1HH1 ARG 45 1HH1 ARG 45 14.434 1.130 -7.994
317 2HH1 ARG 45 2HH1 ARG 45 13.622 0.785 -9.485
318 1HH2 ARG 45 1HH2 ARG 45 11.196 -1.205 -8.008
319 2HH2 ARG 45 2HH2 ARG 45 11.788 -0.538 -9.492
320 H ALA 46 H ALA 46 13.088 2.297 -1.627
321 HA ALA 46 HA ALA 46 15.873 2.208 -1.068
322 1HB ALA 46 1HB ALA 46 14.157 4.089 0.458
323 2HB ALA 46 2HB ALA 46 13.927 4.094 -1.290
324 3HB ALA 46 3HB ALA 46 15.519 4.428 -0.609
325 H SER 47 H SER 47 16.111 3.322 1.522
326 HA SER 47 HA SER 47 15.440 0.948 3.228
327 1HB SER 47 1HB SER 47 17.462 2.303 4.490
328 2HB SER 47 2HB SER 47 17.719 0.994 3.338
329 HG SER 47 HG SER 47 17.711 3.790 2.867
330 HA PRO 48 HA PRO 48 12.998 3.663 5.690
331 1HB PRO 48 1HB PRO 48 13.000 2.231 8.023
332 2HB PRO 48 2HB PRO 48 12.053 1.757 6.598
333 1HG PRO 48 1HG PRO 48 14.650 0.694 7.585
334 2HG PRO 48 2HG PRO 48 13.288 -0.161 6.846
335 1HD PRO 48 1HD PRO 48 15.579 0.492 5.505
336 2HD PRO 48 2HD PRO 48 13.999 0.279 4.719
337 H SER 49 H SER 49 13.576 5.495 6.812
338 HA SER 49 HA SER 49 16.027 5.380 8.540
339 1HB SER 49 1HB SER 49 15.273 7.849 7.028
340 2HB SER 49 2HB SER 49 16.872 7.247 7.456
341 HG SER 49 HG SER 49 15.140 6.441 5.381
342 H GLN 50 H GLN 50 16.032 7.099 10.228
343 HA GLN 50 HA GLN 50 13.571 7.281 11.666
344 1HB GLN 50 1HB GLN 50 14.908 8.958 12.999
345 2HB GLN 50 2HB GLN 50 15.757 7.437 12.717
346 1HG GLN 50 1HG GLN 50 17.438 8.618 11.801
347 2HG GLN 50 2HG GLN 50 16.345 9.059 10.489
348 1HE2 GLN 50 1HE2 GLN 50 17.583 10.147 13.654
349 2HE2 GLN 50 2HE2 GLN 50 17.136 11.772 13.453
Start of MODEL 12
1 H ASP 1 H ASP 1 3.394 16.478 11.393
2 HA ASP 1 HA ASP 1 3.076 14.023 10.861
3 1HB ASP 1 1HB ASP 1 3.581 15.315 13.061
4 2HB ASP 1 2HB ASP 1 1.894 14.990 13.464
5 H SER 2 H SER 2 1.537 12.330 10.774
6 HA SER 2 HA SER 2 -1.300 13.220 10.479
7 1HB SER 2 1HB SER 2 0.356 11.816 8.834
8 2HB SER 2 2HB SER 2 -0.421 10.495 9.702
9 HG SER 2 HG SER 2 -1.985 10.845 8.336
10 H PHE 3 H PHE 3 -2.958 11.599 11.262
11 HA PHE 3 HA PHE 3 -2.061 10.365 13.844
12 1HB PHE 3 1HB PHE 3 -4.782 11.355 12.928
13 2HB PHE 3 2HB PHE 3 -4.386 10.778 14.547
14 HD1 PHE 3 HD1 PHE 3 -5.298 13.643 13.314
15 HD2 PHE 3 HD2 PHE 3 -1.658 11.971 14.864
16 HE1 PHE 3 HE1 PHE 3 -4.522 15.913 13.939
17 HE2 PHE 3 HE2 PHE 3 -0.880 14.243 15.488
18 HZ PHE 3 HZ PHE 3 -2.313 16.214 15.025
19 H TRP 4 H TRP 4 -4.747 9.034 13.979
20 HA TRP 4 HA TRP 4 -4.184 6.444 13.166
21 1HB TRP 4 1HB TRP 4 -6.597 8.094 13.666
22 2HB TRP 4 2HB TRP 4 -6.880 6.590 12.789
23 HD1 TRP 4 HD1 TRP 4 -4.595 7.502 15.788
24 HE1 TRP 4 HE1 TRP 4 -4.954 5.731 17.627
25 HE3 TRP 4 HE3 TRP 4 -8.132 4.593 13.531
26 HZ2 TRP 4 HZ2 TRP 4 -6.533 3.389 18.080
27 HZ3 TRP 4 HZ3 TRP 4 -9.044 2.600 14.686
28 HH2 TRP 4 HH2 TRP 4 -8.251 1.994 16.956
29 H ASN 5 H ASN 5 -4.191 5.337 11.212
30 HA ASN 5 HA ASN 5 -4.305 6.864 8.730
31 1HB ASN 5 1HB ASN 5 -4.076 3.900 9.349
32 2HB ASN 5 2HB ASN 5 -3.758 4.635 7.778
33 1HD2 ASN 5 1HD2 ASN 5 -1.497 3.672 8.179
34 2HD2 ASN 5 2HD2 ASN 5 -0.398 4.600 9.081
35 HA PRO 6 HA PRO 6 -8.668 6.177 8.206
36 1HB PRO 6 1HB PRO 6 -8.862 7.267 5.704
37 2HB PRO 6 2HB PRO 6 -8.729 8.249 7.177
38 1HG PRO 6 1HG PRO 6 -6.645 7.546 5.178
39 2HG PRO 6 2HG PRO 6 -6.896 9.057 6.064
40 1HD PRO 6 1HD PRO 6 -4.997 7.198 6.721
41 2HD PRO 6 2HD PRO 6 -5.715 8.336 7.882
42 H ASN 7 H ASN 7 -6.209 5.211 5.864
43 HA ASN 7 HA ASN 7 -8.011 3.355 4.466
44 1HB ASN 7 1HB ASN 7 -5.937 2.903 3.181
45 2HB ASN 7 2HB ASN 7 -6.241 4.634 3.320
46 1HD2 ASN 7 1HD2 ASN 7 -3.632 4.027 2.814
47 2HD2 ASN 7 2HD2 ASN 7 -2.677 4.173 4.210
48 H ALA 8 H ALA 8 -7.074 3.109 7.462
49 HA ALA 8 HA ALA 8 -5.384 0.979 7.964
50 1HB ALA 8 1HB ALA 8 -7.173 2.436 9.370
51 2HB ALA 8 2HB ALA 8 -6.444 0.962 10.010
52 3HB ALA 8 3HB ALA 8 -8.052 0.909 9.286
53 H PHE 9 H PHE 9 -8.501 0.867 6.365
54 HA PHE 9 HA PHE 9 -8.211 -2.111 6.101
55 1HB PHE 9 1HB PHE 9 -10.110 -0.977 7.530
56 2HB PHE 9 2HB PHE 9 -10.834 -0.640 5.957
57 HD1 PHE 9 HD1 PHE 9 -10.571 -3.023 8.554
58 HD2 PHE 9 HD2 PHE 9 -10.874 -2.699 4.283
59 HE1 PHE 9 HE1 PHE 9 -11.406 -5.354 8.438
60 HE2 PHE 9 HE2 PHE 9 -11.710 -5.031 4.166
61 HZ PHE 9 HZ PHE 9 -11.976 -6.358 6.243
62 H GLU 10 H GLU 10 -6.981 -1.574 4.086
63 HA GLU 10 HA GLU 10 -8.844 -1.177 1.799
64 1HB GLU 10 1HB GLU 10 -7.227 0.846 2.880
65 2HB GLU 10 2HB GLU 10 -6.356 0.294 1.449
66 1HG GLU 10 1HG GLU 10 -8.511 0.507 0.154
67 2HG GLU 10 2HG GLU 10 -9.222 1.267 1.578
68 H THR 11 H THR 11 -6.856 -1.038 -0.186
69 HA THR 11 HA THR 11 -5.934 -3.827 -0.240
70 HB THR 11 HB THR 11 -5.188 -1.779 -2.288
71 HG1 THR 11 HG1 THR 11 -7.160 -1.113 -2.398
72 1HG2 THR 11 1HG2 THR 11 -6.599 -3.993 -3.341
73 2HG2 THR 11 2HG2 THR 11 -5.537 -4.632 -2.085
74 3HG2 THR 11 3HG2 THR 11 -4.863 -3.694 -3.418
75 H ASP 12 H ASP 12 -3.555 -3.483 -1.729
76 HA ASP 12 HA ASP 12 -1.487 -3.540 0.079
77 1HB ASP 12 1HB ASP 12 -0.068 -2.992 -1.816
78 2HB ASP 12 2HB ASP 12 -1.450 -3.906 -2.418
79 H SER 13 H SER 13 0.155 -1.904 0.694
80 HA SER 13 HA SER 13 -1.106 0.740 1.245
81 1HB SER 13 1HB SER 13 1.087 0.723 2.760
82 2HB SER 13 2HB SER 13 -0.356 -0.164 3.243
83 HG SER 13 HG SER 13 0.608 -2.006 2.776
84 H ASP 14 H ASP 14 2.165 -0.473 0.469
85 HA ASP 14 HA ASP 14 2.507 1.353 -1.764
86 1HB ASP 14 1HB ASP 14 2.748 2.426 0.801
87 2HB ASP 14 2HB ASP 14 4.416 2.140 0.305
88 H LEU 15 H LEU 15 3.091 -0.986 -2.361
89 HA LEU 15 HA LEU 15 5.788 -1.822 -1.414
90 1HB LEU 15 1HB LEU 15 3.421 -3.061 -2.779
91 2HB LEU 15 2HB LEU 15 4.999 -3.820 -2.985
92 HG LEU 15 HG LEU 15 3.730 -4.741 -1.037
93 1HD1 LEU 15 1HD1 LEU 15 5.592 -4.691 0.498
94 2HD1 LEU 15 2HD1 LEU 15 6.174 -3.169 -0.176
95 3HD1 LEU 15 3HD1 LEU 15 6.257 -4.646 -1.135
96 1HD2 LEU 15 1HD2 LEU 15 2.575 -2.628 -0.433
97 2HD2 LEU 15 2HD2 LEU 15 4.120 -1.939 0.067
98 3HD2 LEU 15 3HD2 LEU 15 3.440 -3.309 0.946
99 HA PRO 16 HA PRO 16 7.838 -0.696 -5.121
100 1HB PRO 16 1HB PRO 16 9.286 -2.926 -5.786
101 2HB PRO 16 2HB PRO 16 9.701 -1.870 -4.421
102 1HG PRO 16 1HG PRO 16 8.261 -4.479 -4.425
103 2HG PRO 16 2HG PRO 16 9.479 -3.865 -3.294
104 1HD PRO 16 1HD PRO 16 6.827 -3.868 -2.737
105 2HD PRO 16 2HD PRO 16 7.945 -2.645 -2.096
106 H ALA 17 H ALA 17 8.486 -2.057 -7.429
107 HA ALA 17 HA ALA 17 5.830 -2.485 -8.638
108 1HB ALA 17 1HB ALA 17 7.284 -2.544 -10.723
109 2HB ALA 17 2HB ALA 17 8.673 -2.290 -9.666
110 3HB ALA 17 3HB ALA 17 7.410 -1.064 -9.773
111 H GLY 18 H GLY 18 4.982 -4.508 -8.796
112 1HA GLY 18 1HA GLY 18 5.065 -6.781 -9.616
113 2HA GLY 18 2HA GLY 18 6.804 -6.793 -9.336
114 H TRP 19 H TRP 19 5.352 -5.354 -6.685
115 HA TRP 19 HA TRP 19 5.282 -7.984 -5.245
116 1HB TRP 19 1HB TRP 19 6.432 -5.282 -4.650
117 2HB TRP 19 2HB TRP 19 5.890 -6.283 -3.303
118 HD1 TRP 19 HD1 TRP 19 8.715 -5.820 -5.648
119 HE1 TRP 19 HE1 TRP 19 10.423 -7.738 -5.390
120 HE3 TRP 19 HE3 TRP 19 5.987 -9.044 -2.784
121 HZ2 TRP 19 HZ2 TRP 19 10.600 -10.309 -4.135
122 HZ3 TRP 19 HZ3 TRP 19 6.943 -11.217 -2.075
123 HH2 TRP 19 HH2 TRP 19 9.243 -11.852 -2.748
124 H MET 20 H MET 20 3.376 -8.438 -4.215
125 HA MET 20 HA MET 20 1.380 -6.213 -3.932
126 1HB MET 20 1HB MET 20 0.938 -9.186 -4.330
127 2HB MET 20 2HB MET 20 -0.288 -7.926 -4.403
128 1HG MET 20 1HG MET 20 2.037 -8.315 -6.299
129 2HG MET 20 2HG MET 20 0.319 -8.472 -6.672
130 1HE MET 20 1HE MET 20 2.939 -5.094 -7.284
131 2HE MET 20 2HE MET 20 2.286 -6.240 -8.453
132 3HE MET 20 3HE MET 20 3.189 -6.831 -7.060
133 H ARG 21 H ARG 21 -0.238 -6.660 -2.157
134 HA ARG 21 HA ARG 21 1.072 -7.993 0.194
135 1HB ARG 21 1HB ARG 21 0.868 -5.431 0.074
136 2HB ARG 21 2HB ARG 21 -0.872 -5.672 0.233
137 1HG ARG 21 1HG ARG 21 -0.315 -7.088 2.308
138 2HG ARG 21 2HG ARG 21 1.297 -6.378 2.211
139 1HD ARG 21 1HD ARG 21 0.553 -4.460 3.158
140 2HD ARG 21 2HD ARG 21 -0.730 -4.316 1.942
141 HE ARG 21 HE ARG 21 -2.116 -5.818 3.342
142 1HH1 ARG 21 1HH1 ARG 21 0.962 -5.688 4.700
143 2HH1 ARG 21 2HH1 ARG 21 0.420 -5.470 6.331
144 1HH2 ARG 21 1HH2 ARG 21 -2.907 -5.053 5.450
145 2HH2 ARG 21 2HH2 ARG 21 -1.770 -5.111 6.756
146 H VAL 22 H VAL 22 -0.060 -9.947 0.313
147 HA VAL 22 HA VAL 22 -3.036 -9.855 0.000
148 HB VAL 22 HB VAL 22 -1.240 -12.262 0.154
149 1HG1 VAL 22 1HG1 VAL 22 -3.821 -11.863 -1.357
150 2HG1 VAL 22 2HG1 VAL 22 -3.770 -12.434 0.310
151 3HG1 VAL 22 3HG1 VAL 22 -3.018 -13.384 -0.971
152 1HG2 VAL 22 1HG2 VAL 22 -1.240 -12.165 -2.373
153 2HG2 VAL 22 2HG2 VAL 22 -0.294 -10.892 -1.603
154 3HG2 VAL 22 3HG2 VAL 22 -1.894 -10.533 -2.247
155 H GLN 23 H GLN 23 -4.328 -10.915 1.561
156 HA GLN 23 HA GLN 23 -3.035 -11.436 4.208
157 1HB GLN 23 1HB GLN 23 -5.403 -10.658 4.992
158 2HB GLN 23 2HB GLN 23 -4.251 -9.433 4.469
159 1HG GLN 23 1HG GLN 23 -5.987 -10.650 2.378
160 2HG GLN 23 2HG GLN 23 -6.755 -9.541 3.514
161 1HE2 GLN 23 1HE2 GLN 23 -5.913 -7.297 3.595
162 2HE2 GLN 23 2HE2 GLN 23 -5.033 -6.666 2.287
163 H ASP 24 H ASP 24 -2.948 -13.738 3.522
164 HA ASP 24 HA ASP 24 -5.371 -15.139 2.762
165 1HB ASP 24 1HB ASP 24 -3.924 -16.984 2.627
166 2HB ASP 24 2HB ASP 24 -2.835 -15.627 2.360
167 H THR 25 H THR 25 -5.426 -17.394 4.360
168 HA THR 25 HA THR 25 -6.740 -16.366 6.777
169 HB THR 25 HB THR 25 -7.476 -18.675 6.975
170 HG1 THR 25 HG1 THR 25 -6.107 -20.144 6.422
171 1HG2 THR 25 1HG2 THR 25 -8.754 -18.741 5.057
172 2HG2 THR 25 2HG2 THR 25 -7.384 -18.380 4.006
173 3HG2 THR 25 3HG2 THR 25 -8.147 -17.090 4.935
174 H SER 26 H SER 26 -3.933 -15.850 6.826
175 HA SER 26 HA SER 26 -3.202 -17.313 9.281
176 1HB SER 26 1HB SER 26 -2.238 -17.966 6.638
177 2HB SER 26 2HB SER 26 -0.902 -17.427 7.648
178 HG SER 26 HG SER 26 -2.746 -19.528 8.102
179 H GLY 27 H GLY 27 -2.351 -14.890 6.828
180 1HA GLY 27 1HA GLY 27 -1.879 -12.792 8.639
181 2HA GLY 27 2HA GLY 27 -0.320 -13.579 8.385
182 H THR 28 H THR 28 -0.690 -10.945 7.558
183 HA THR 28 HA THR 28 -1.340 -10.931 4.684
184 HB THR 28 HB THR 28 -0.119 -8.767 6.417
185 HG1 THR 28 HG1 THR 28 -2.800 -9.613 6.103
186 1HG2 THR 28 1HG2 THR 28 -1.864 -7.576 4.702
187 2HG2 THR 28 2HG2 THR 28 -1.326 -8.941 3.721
188 3HG2 THR 28 3HG2 THR 28 -0.148 -7.793 4.358
189 H TYR 29 H TYR 29 0.239 -11.761 3.308
190 HA TYR 29 HA TYR 29 3.106 -11.208 3.997
191 1HB TYR 29 1HB TYR 29 3.570 -13.243 2.724
192 2HB TYR 29 2HB TYR 29 2.317 -13.582 3.918
193 HD1 TYR 29 HD1 TYR 29 3.058 -13.142 0.348
194 HD2 TYR 29 HD2 TYR 29 -0.026 -13.891 3.240
195 HE1 TYR 29 HE1 TYR 29 1.530 -13.853 -1.470
196 HE2 TYR 29 HE2 TYR 29 -1.556 -14.604 1.422
197 HH TYR 29 HH TYR 29 -0.855 -15.614 -1.281
198 H TYR 30 H TYR 30 4.059 -11.903 1.375
199 HA TYR 30 HA TYR 30 2.943 -9.663 -0.282
200 1HB TYR 30 1HB TYR 30 5.797 -10.497 0.305
201 2HB TYR 30 2HB TYR 30 5.372 -9.354 -0.969
202 HD1 TYR 30 HD1 TYR 30 4.015 -7.274 -0.324
203 HD2 TYR 30 HD2 TYR 30 5.990 -9.783 2.549
204 HE1 TYR 30 HE1 TYR 30 3.911 -5.444 1.346
205 HE2 TYR 30 HE2 TYR 30 5.884 -7.953 4.219
206 HH TYR 30 HH TYR 30 4.957 -5.947 4.690
207 H TRP 31 H TRP 31 2.625 -10.169 -2.450
208 HA TRP 31 HA TRP 31 3.390 -12.938 -3.309
209 1HB TRP 31 1HB TRP 31 1.019 -12.627 -3.247
210 2HB TRP 31 2HB TRP 31 1.137 -11.045 -4.011
211 HD1 TRP 31 HD1 TRP 31 3.315 -13.748 -5.444
212 HE1 TRP 31 HE1 TRP 31 2.406 -14.467 -7.747
213 HE3 TRP 31 HE3 TRP 31 -1.184 -11.333 -5.409
214 HZ2 TRP 31 HZ2 TRP 31 0.076 -14.071 -9.359
215 HZ3 TRP 31 HZ3 TRP 31 -2.726 -11.521 -7.338
216 HH2 TRP 31 HH2 TRP 31 -2.103 -12.885 -9.312
217 H HIS 32 H HIS 32 5.181 -12.852 -4.605
218 HA HIS 32 HA HIS 32 5.930 -10.461 -6.098
219 1HB HIS 32 1HB HIS 32 7.217 -12.604 -5.012
220 2HB HIS 32 2HB HIS 32 7.162 -13.093 -6.705
221 HD1 HIS 32 HD1 HIS 32 9.908 -12.491 -5.760
222 HD2 HIS 32 HD2 HIS 32 7.393 -9.464 -7.129
223 HE1 HIS 32 HE1 HIS 32 11.407 -10.565 -6.438
224 H ILE 33 H ILE 33 4.643 -9.975 -7.841
225 HA ILE 33 HA ILE 33 3.201 -11.863 -9.441
226 HB ILE 33 HB ILE 33 4.093 -9.018 -10.005
227 1HG1 ILE 33 1HG1 ILE 33 1.794 -10.192 -8.420
228 2HG1 ILE 33 2HG1 ILE 33 2.942 -8.947 -7.929
229 1HG2 ILE 33 1HG2 ILE 33 2.863 -10.801 -11.709
230 2HG2 ILE 33 2HG2 ILE 33 2.720 -9.046 -11.816
231 3HG2 ILE 33 3HG2 ILE 33 1.484 -9.983 -10.976
232 1HD1 ILE 33 1HD1 ILE 33 0.594 -8.717 -9.795
233 2HD1 ILE 33 2HD1 ILE 33 1.947 -7.594 -9.934
234 3HD1 ILE 33 3HD1 ILE 33 1.031 -7.690 -8.432
235 HA PRO 34 HA PRO 34 6.710 -11.139 -12.633
236 1HB PRO 34 1HB PRO 34 9.142 -10.317 -11.694
237 2HB PRO 34 2HB PRO 34 7.870 -9.198 -12.220
238 1HG PRO 34 1HG PRO 34 8.699 -9.970 -9.481
239 2HG PRO 34 2HG PRO 34 8.110 -8.418 -10.090
240 1HD PRO 34 1HD PRO 34 6.603 -10.222 -8.659
241 2HD PRO 34 2HD PRO 34 5.935 -8.968 -9.724
242 H THR 35 H THR 35 8.228 -12.067 -9.498
243 HA THR 35 HA THR 35 9.641 -14.296 -10.808
244 HB THR 35 HB THR 35 10.646 -14.545 -8.614
245 HG1 THR 35 HG1 THR 35 9.378 -14.239 -6.991
246 1HG2 THR 35 1HG2 THR 35 10.168 -11.721 -9.541
247 2HG2 THR 35 2HG2 THR 35 11.627 -12.702 -9.691
248 3HG2 THR 35 3HG2 THR 35 11.163 -12.045 -8.122
249 H GLY 36 H GLY 36 6.769 -13.810 -8.854
250 1HA GLY 36 1HA GLY 36 4.939 -15.354 -8.728
251 2HA GLY 36 2HA GLY 36 6.007 -16.626 -9.324
252 H THR 37 H THR 37 8.042 -15.564 -7.237
253 HA THR 37 HA THR 37 7.414 -17.498 -5.179
254 HB THR 37 HB THR 37 9.397 -15.209 -5.309
255 HG1 THR 37 HG1 THR 37 9.396 -17.886 -6.165
256 1HG2 THR 37 1HG2 THR 37 9.220 -17.626 -3.502
257 2HG2 THR 37 2HG2 THR 37 9.150 -15.931 -3.022
258 3HG2 THR 37 3HG2 THR 37 10.654 -16.609 -3.646
259 H THR 38 H THR 38 7.377 -16.790 -2.812
260 HA THR 38 HA THR 38 5.691 -14.326 -2.483
261 HB THR 38 HB THR 38 5.059 -16.005 -0.393
262 HG1 THR 38 HG1 THR 38 5.201 -17.666 -2.657
263 1HG2 THR 38 1HG2 THR 38 3.192 -16.733 -2.198
264 2HG2 THR 38 2HG2 THR 38 3.899 -15.363 -3.053
265 3HG2 THR 38 3HG2 THR 38 3.214 -15.139 -1.444
266 H GLN 39 H GLN 39 5.726 -13.774 0.055
267 HA GLN 39 HA GLN 39 8.327 -14.302 1.342
268 1HB GLN 39 1HB GLN 39 7.509 -11.681 0.087
269 2HB GLN 39 2HB GLN 39 8.684 -11.733 1.401
270 1HG GLN 39 1HG GLN 39 9.933 -13.487 0.013
271 2HG GLN 39 2HG GLN 39 8.888 -13.009 -1.328
272 1HE2 GLN 39 1HE2 GLN 39 11.801 -12.576 -1.212
273 2HE2 GLN 39 2HE2 GLN 39 12.048 -10.898 -1.256
274 H TRP 40 H TRP 40 8.262 -12.165 3.159
275 HA TRP 40 HA TRP 40 5.569 -12.356 4.453
276 1HB TRP 40 1HB TRP 40 8.295 -13.152 5.434
277 2HB TRP 40 2HB TRP 40 7.108 -12.567 6.599
278 HD1 TRP 40 HD1 TRP 40 8.084 -15.584 4.660
279 HE1 TRP 40 HE1 TRP 40 6.353 -17.462 5.005
280 HE3 TRP 40 HE3 TRP 40 4.362 -12.941 6.944
281 HZ2 TRP 40 HZ2 TRP 40 3.734 -17.799 6.106
282 HZ3 TRP 40 HZ3 TRP 40 2.261 -14.063 7.630
283 HH2 TRP 40 HH2 TRP 40 1.942 -16.486 7.214
284 H GLU 41 H GLU 41 8.716 -10.710 4.245
285 HA GLU 41 HA GLU 41 7.568 -8.338 5.654
286 1HB GLU 41 1HB GLU 41 10.411 -8.990 4.812
287 2HB GLU 41 2HB GLU 41 9.913 -7.708 5.916
288 1HG GLU 41 1HG GLU 41 8.747 -9.813 7.137
289 2HG GLU 41 2HG GLU 41 10.114 -10.635 6.384
290 HA PRO 42 HA PRO 42 7.406 -5.992 1.948
291 1HB PRO 42 1HB PRO 42 8.195 -3.517 2.805
292 2HB PRO 42 2HB PRO 42 6.624 -4.228 3.224
293 1HG PRO 42 1HG PRO 42 9.101 -4.020 4.851
294 2HG PRO 42 2HG PRO 42 7.408 -3.881 5.347
295 1HD PRO 42 1HD PRO 42 8.947 -6.118 5.733
296 2HD PRO 42 2HD PRO 42 7.174 -6.132 5.624
297 HA PRO 43 HA PRO 43 11.699 -6.320 0.662
298 1HB PRO 43 1HB PRO 43 11.171 -6.249 -2.023
299 2HB PRO 43 2HB PRO 43 10.971 -7.712 -1.037
300 1HG PRO 43 1HG PRO 43 8.920 -5.782 -1.999
301 2HG PRO 43 2HG PRO 43 8.833 -7.545 -1.856
302 1HD PRO 43 1HD PRO 43 7.700 -5.827 -0.062
303 2HD PRO 43 2HD PRO 43 8.245 -7.467 0.353
304 H GLY 44 H GLY 44 9.525 -3.767 0.489
305 1HA GLY 44 1HA GLY 44 11.254 -2.008 -1.140
306 2HA GLY 44 2HA GLY 44 9.693 -1.568 -0.448
307 H ARG 45 H ARG 45 9.821 -1.823 2.145
308 HA ARG 45 HA ARG 45 11.949 0.055 2.970
309 1HB ARG 45 1HB ARG 45 9.247 -0.624 3.683
310 2HB ARG 45 2HB ARG 45 10.265 -0.758 5.118
311 1HG ARG 45 1HG ARG 45 10.383 1.481 5.287
312 2HG ARG 45 2HG ARG 45 11.013 1.598 3.643
313 1HD ARG 45 1HD ARG 45 9.023 2.360 2.877
314 2HD ARG 45 2HD ARG 45 8.163 0.997 3.622
315 HE ARG 45 HE ARG 45 9.080 3.214 5.381
316 1HH1 ARG 45 1HH1 ARG 45 6.529 2.067 3.433
317 2HH1 ARG 45 2HH1 ARG 45 5.289 2.406 4.593
318 1HH2 ARG 45 1HH2 ARG 45 7.508 3.377 7.075
319 2HH2 ARG 45 2HH2 ARG 45 5.843 3.147 6.656
320 H ALA 46 H ALA 46 13.857 -1.221 3.111
321 HA ALA 46 HA ALA 46 13.776 -3.679 4.792
322 1HB ALA 46 1HB ALA 46 14.982 -3.051 2.418
323 2HB ALA 46 2HB ALA 46 15.541 -4.332 3.493
324 3HB ALA 46 3HB ALA 46 16.295 -2.740 3.554
325 H SER 47 H SER 47 13.335 -1.784 6.552
326 HA SER 47 HA SER 47 14.200 -0.469 8.332
327 1HB SER 47 1HB SER 47 16.435 -1.902 9.049
328 2HB SER 47 2HB SER 47 14.785 -2.361 9.460
329 HG SER 47 HG SER 47 16.102 -3.994 8.360
330 HA PRO 48 HA PRO 48 17.433 1.473 5.607
331 1HB PRO 48 1HB PRO 48 16.241 3.940 5.516
332 2HB PRO 48 2HB PRO 48 15.870 2.640 4.364
333 1HG PRO 48 1HG PRO 48 14.355 3.524 6.772
334 2HG PRO 48 2HG PRO 48 13.755 3.013 5.186
335 1HD PRO 48 1HD PRO 48 13.738 1.396 7.371
336 2HD PRO 48 2HD PRO 48 13.879 0.783 5.708
337 H SER 49 H SER 49 18.911 1.414 7.382
338 HA SER 49 HA SER 49 18.697 3.728 9.282
339 1HB SER 49 1HB SER 49 18.412 1.131 9.941
340 2HB SER 49 2HB SER 49 20.168 1.239 10.018
341 HG SER 49 HG SER 49 18.297 2.918 11.348
342 H GLN 50 H GLN 50 20.846 4.502 10.046
343 HA GLN 50 HA GLN 50 23.175 3.704 8.377
344 1HB GLN 50 1HB GLN 50 21.587 5.686 7.514
345 2HB GLN 50 2HB GLN 50 22.574 6.619 8.640
346 1HG GLN 50 1HG GLN 50 24.217 4.830 7.045
347 2HG GLN 50 2HG GLN 50 23.265 5.905 6.020
348 1HE2 GLN 50 1HE2 GLN 50 23.923 8.088 5.891
349 2HE2 GLN 50 2HE2 GLN 50 25.167 8.759 6.830
Start of MODEL 13
1 H ASP 1 H ASP 1 -25.058 5.462 -14.952
2 HA ASP 1 HA ASP 1 -25.399 4.148 -17.083
3 1HB ASP 1 1HB ASP 1 -24.214 6.776 -17.992
4 2HB ASP 1 2HB ASP 1 -24.076 5.312 -18.968
5 H SER 2 H SER 2 -23.418 3.014 -17.954
6 HA SER 2 HA SER 2 -21.540 2.293 -16.045
7 1HB SER 2 1HB SER 2 -21.726 2.303 -19.008
8 2HB SER 2 2HB SER 2 -20.114 2.042 -18.346
9 HG SER 2 HG SER 2 -20.725 0.145 -17.674
10 H PHE 3 H PHE 3 -19.316 2.934 -15.655
11 HA PHE 3 HA PHE 3 -18.659 5.721 -16.558
12 1HB PHE 3 1HB PHE 3 -19.470 5.105 -14.092
13 2HB PHE 3 2HB PHE 3 -17.778 4.645 -13.905
14 HD1 PHE 3 HD1 PHE 3 -16.301 6.290 -13.186
15 HD2 PHE 3 HD2 PHE 3 -19.795 7.440 -15.405
16 HE1 PHE 3 HE1 PHE 3 -15.676 8.677 -12.933
17 HE2 PHE 3 HE2 PHE 3 -19.171 9.827 -15.151
18 HZ PHE 3 HZ PHE 3 -17.111 10.445 -13.916
19 H TRP 4 H TRP 4 -16.696 5.821 -17.577
20 HA TRP 4 HA TRP 4 -15.036 3.639 -18.168
21 1HB TRP 4 1HB TRP 4 -14.736 6.620 -18.021
22 2HB TRP 4 2HB TRP 4 -13.301 5.645 -18.342
23 HD1 TRP 4 HD1 TRP 4 -16.914 5.981 -19.690
24 HE1 TRP 4 HE1 TRP 4 -16.865 5.544 -22.231
25 HE3 TRP 4 HE3 TRP 4 -11.969 4.858 -20.296
26 HZ2 TRP 4 HZ2 TRP 4 -14.979 4.815 -24.251
27 HZ3 TRP 4 HZ3 TRP 4 -11.073 4.296 -22.538
28 HH2 TRP 4 HH2 TRP 4 -12.570 4.274 -24.514
29 H ASN 5 H ASN 5 -13.621 2.459 -16.930
30 HA ASN 5 HA ASN 5 -12.162 3.717 -14.695
31 1HB ASN 5 1HB ASN 5 -14.642 2.739 -14.179
32 2HB ASN 5 2HB ASN 5 -13.683 1.278 -13.940
33 1HD2 ASN 5 1HD2 ASN 5 -14.750 2.083 -11.623
34 2HD2 ASN 5 2HD2 ASN 5 -13.648 2.935 -10.653
35 HA PRO 6 HA PRO 6 -9.968 0.287 -16.874
36 1HB PRO 6 1HB PRO 6 -7.634 1.667 -17.233
37 2HB PRO 6 2HB PRO 6 -8.990 1.751 -18.374
38 1HG PRO 6 1HG PRO 6 -8.165 3.683 -16.270
39 2HG PRO 6 2HG PRO 6 -8.816 3.985 -17.888
40 1HD PRO 6 1HD PRO 6 -10.295 4.158 -15.591
41 2HD PRO 6 2HD PRO 6 -10.983 3.800 -17.190
42 H ASN 7 H ASN 7 -9.167 2.413 -14.199
43 HA ASN 7 HA ASN 7 -6.957 0.805 -13.180
44 1HB ASN 7 1HB ASN 7 -8.517 3.220 -12.483
45 2HB ASN 7 2HB ASN 7 -7.858 2.345 -11.102
46 1HD2 ASN 7 1HD2 ASN 7 -6.909 3.888 -14.194
47 2HD2 ASN 7 2HD2 ASN 7 -5.291 4.146 -13.749
48 H ALA 8 H ALA 8 -10.315 1.365 -12.037
49 HA ALA 8 HA ALA 8 -11.714 -0.003 -10.709
50 1HB ALA 8 1HB ALA 8 -9.937 -2.051 -12.075
51 2HB ALA 8 2HB ALA 8 -11.464 -1.420 -12.689
52 3HB ALA 8 3HB ALA 8 -11.446 -2.434 -11.247
53 H PHE 9 H PHE 9 -11.512 -1.907 -8.987
54 HA PHE 9 HA PHE 9 -9.770 -1.060 -6.900
55 1HB PHE 9 1HB PHE 9 -11.689 -3.195 -7.499
56 2HB PHE 9 2HB PHE 9 -10.415 -3.716 -6.395
57 HD1 PHE 9 HD1 PHE 9 -9.758 -1.503 -4.755
58 HD2 PHE 9 HD2 PHE 9 -13.608 -2.568 -6.336
59 HE1 PHE 9 HE1 PHE 9 -10.859 -0.277 -2.901
60 HE2 PHE 9 HE2 PHE 9 -14.708 -1.342 -4.483
61 HZ PHE 9 HZ PHE 9 -13.334 -0.196 -2.764
62 H GLU 10 H GLU 10 -7.602 -1.425 -6.638
63 HA GLU 10 HA GLU 10 -6.378 -3.752 -8.088
64 1HB GLU 10 1HB GLU 10 -6.006 -1.016 -8.476
65 2HB GLU 10 2HB GLU 10 -4.619 -1.491 -7.495
66 1HG GLU 10 1HG GLU 10 -5.171 -3.445 -9.583
67 2HG GLU 10 2HG GLU 10 -4.882 -1.840 -10.255
68 H THR 11 H THR 11 -4.288 -4.468 -7.021
69 HA THR 11 HA THR 11 -4.607 -4.395 -4.054
70 HB THR 11 HB THR 11 -2.727 -6.197 -5.540
71 HG1 THR 11 HG1 THR 11 -4.589 -7.566 -5.898
72 1HG2 THR 11 1HG2 THR 11 -4.031 -6.042 -2.955
73 2HG2 THR 11 2HG2 THR 11 -2.698 -7.076 -3.469
74 3HG2 THR 11 3HG2 THR 11 -4.365 -7.587 -3.735
75 H ASP 12 H ASP 12 -1.983 -5.139 -3.382
76 HA ASP 12 HA ASP 12 0.108 -4.160 -2.879
77 1HB ASP 12 1HB ASP 12 0.527 -4.671 -5.203
78 2HB ASP 12 2HB ASP 12 -0.402 -3.267 -5.731
79 H SER 13 H SER 13 -0.326 -2.635 -1.268
80 HA SER 13 HA SER 13 -1.661 -0.102 -1.819
81 1HB SER 13 1HB SER 13 -0.874 -1.718 0.389
82 2HB SER 13 2HB SER 13 -0.185 -0.116 0.625
83 HG SER 13 HG SER 13 -2.602 -0.796 1.145
84 H ASP 14 H ASP 14 1.467 -0.456 -0.197
85 HA ASP 14 HA ASP 14 2.592 1.616 -2.054
86 1HB ASP 14 1HB ASP 14 2.725 1.260 0.947
87 2HB ASP 14 2HB ASP 14 3.875 2.284 0.085
88 H LEU 15 H LEU 15 2.922 -1.133 -2.570
89 HA LEU 15 HA LEU 15 5.547 -1.949 -1.467
90 1HB LEU 15 1HB LEU 15 3.336 -3.137 -3.115
91 2HB LEU 15 2HB LEU 15 4.923 -3.903 -3.146
92 HG LEU 15 HG LEU 15 3.485 -4.892 -1.395
93 1HD1 LEU 15 1HD1 LEU 15 5.483 -5.217 -0.403
94 2HD1 LEU 15 2HD1 LEU 15 5.179 -3.754 0.535
95 3HD1 LEU 15 3HD1 LEU 15 6.081 -3.661 -0.977
96 1HD2 LEU 15 1HD2 LEU 15 2.379 -2.502 -1.066
97 2HD2 LEU 15 2HD2 LEU 15 3.634 -2.336 0.162
98 3HD2 LEU 15 3HD2 LEU 15 2.459 -3.645 0.274
99 HA PRO 16 HA PRO 16 7.944 -0.750 -4.939
100 1HB PRO 16 1HB PRO 16 9.473 -2.961 -5.468
101 2HB PRO 16 2HB PRO 16 9.738 -1.914 -4.058
102 1HG PRO 16 1HG PRO 16 8.338 -4.537 -4.230
103 2HG PRO 16 2HG PRO 16 9.421 -3.916 -2.973
104 1HD PRO 16 1HD PRO 16 6.720 -3.959 -2.708
105 2HD PRO 16 2HD PRO 16 7.750 -2.738 -1.929
106 H ALA 17 H ALA 17 8.863 -2.235 -7.140
107 HA ALA 17 HA ALA 17 6.336 -2.607 -8.634
108 1HB ALA 17 1HB ALA 17 8.629 -3.030 -10.245
109 2HB ALA 17 2HB ALA 17 9.054 -1.754 -9.105
110 3HB ALA 17 3HB ALA 17 7.646 -1.569 -10.152
111 H GLY 18 H GLY 18 5.493 -4.626 -8.901
112 1HA GLY 18 1HA GLY 18 5.605 -6.910 -9.644
113 2HA GLY 18 2HA GLY 18 7.323 -6.929 -9.263
114 H TRP 19 H TRP 19 5.641 -5.472 -6.744
115 HA TRP 19 HA TRP 19 5.518 -8.075 -5.258
116 1HB TRP 19 1HB TRP 19 6.559 -5.332 -4.618
117 2HB TRP 19 2HB TRP 19 5.977 -6.354 -3.308
118 HD1 TRP 19 HD1 TRP 19 8.913 -5.791 -5.503
119 HE1 TRP 19 HE1 TRP 19 10.687 -7.623 -5.121
120 HE3 TRP 19 HE3 TRP 19 6.180 -9.098 -2.734
121 HZ2 TRP 19 HZ2 TRP 19 10.914 -10.161 -3.813
122 HZ3 TRP 19 HZ3 TRP 19 7.198 -11.212 -1.936
123 HH2 TRP 19 HH2 TRP 19 9.558 -11.746 -2.471
124 H MET 20 H MET 20 3.573 -8.483 -4.208
125 HA MET 20 HA MET 20 1.528 -6.287 -4.248
126 1HB MET 20 1HB MET 20 1.113 -8.111 -5.827
127 2HB MET 20 2HB MET 20 1.244 -9.287 -4.535
128 1HG MET 20 1HG MET 20 -0.758 -8.560 -3.521
129 2HG MET 20 2HG MET 20 -0.755 -7.040 -4.414
130 1HE MET 20 1HE MET 20 -2.085 -6.976 -7.145
131 2HE MET 20 2HE MET 20 -1.031 -8.105 -7.991
132 3HE MET 20 3HE MET 20 -0.356 -7.024 -6.774
133 H ARG 21 H ARG 21 -0.243 -6.727 -2.636
134 HA ARG 21 HA ARG 21 0.878 -7.801 -0.063
135 1HB ARG 21 1HB ARG 21 0.713 -5.334 -0.151
136 2HB ARG 21 2HB ARG 21 -0.996 -5.464 -0.571
137 1HG ARG 21 1HG ARG 21 -1.552 -6.399 1.551
138 2HG ARG 21 2HG ARG 21 0.142 -6.698 1.944
139 1HD ARG 21 1HD ARG 21 0.564 -4.260 2.011
140 2HD ARG 21 2HD ARG 21 -1.144 -3.959 1.632
141 HE ARG 21 HE ARG 21 -0.166 -5.272 4.133
142 1HH1 ARG 21 1HH1 ARG 21 -2.991 -5.772 2.817
143 2HH1 ARG 21 2HH1 ARG 21 -3.956 -4.763 3.842
144 1HH2 ARG 21 1HH2 ARG 21 -1.240 -3.102 5.215
145 2HH2 ARG 21 2HH2 ARG 21 -2.965 -3.252 5.200
146 H VAL 22 H VAL 22 -0.208 -9.756 0.211
147 HA VAL 22 HA VAL 22 -3.152 -9.788 -0.369
148 HB VAL 22 HB VAL 22 -1.209 -12.092 -0.112
149 1HG1 VAL 22 1HG1 VAL 22 -4.094 -11.793 -0.710
150 2HG1 VAL 22 2HG1 VAL 22 -3.224 -13.154 0.001
151 3HG1 VAL 22 3HG1 VAL 22 -3.212 -12.916 -1.746
152 1HG2 VAL 22 1HG2 VAL 22 -1.373 -12.100 -2.652
153 2HG2 VAL 22 2HG2 VAL 22 -0.451 -10.761 -1.968
154 3HG2 VAL 22 3HG2 VAL 22 -2.102 -10.499 -2.529
155 H GLN 23 H GLN 23 -4.439 -11.143 1.114
156 HA GLN 23 HA GLN 23 -3.332 -11.183 3.904
157 1HB GLN 23 1HB GLN 23 -5.691 -9.979 2.673
158 2HB GLN 23 2HB GLN 23 -6.123 -11.025 4.027
159 1HG GLN 23 1HG GLN 23 -4.749 -9.811 5.542
160 2HG GLN 23 2HG GLN 23 -3.913 -8.975 4.233
161 1HE2 GLN 23 1HE2 GLN 23 -5.241 -7.545 6.356
162 2HE2 GLN 23 2HE2 GLN 23 -6.555 -6.708 5.683
163 H ASP 24 H ASP 24 -2.996 -13.335 4.394
164 HA ASP 24 HA ASP 24 -5.030 -15.317 3.439
165 1HB ASP 24 1HB ASP 24 -2.193 -15.153 3.294
166 2HB ASP 24 2HB ASP 24 -2.599 -16.509 4.343
167 H THR 25 H THR 25 -4.823 -17.376 5.041
168 HA THR 25 HA THR 25 -5.934 -16.569 7.560
169 HB THR 25 HB THR 25 -6.261 -18.721 6.252
170 HG1 THR 25 HG1 THR 25 -6.752 -19.729 8.074
171 1HG2 THR 25 1HG2 THR 25 -3.954 -19.951 7.618
172 2HG2 THR 25 2HG2 THR 25 -3.530 -18.848 6.310
173 3HG2 THR 25 3HG2 THR 25 -4.581 -20.228 5.993
174 H SER 26 H SER 26 -2.643 -17.165 6.513
175 HA SER 26 HA SER 26 -1.594 -17.434 9.250
176 1HB SER 26 1HB SER 26 -0.736 -17.791 6.491
177 2HB SER 26 2HB SER 26 0.482 -16.936 7.432
178 HG SER 26 HG SER 26 0.278 -19.424 7.414
179 H GLY 27 H GLY 27 -2.311 -14.878 7.031
180 1HA GLY 27 1HA GLY 27 -2.261 -12.655 8.422
181 2HA GLY 27 2HA GLY 27 -0.532 -12.994 8.498
182 H THR 28 H THR 28 -1.088 -10.659 7.341
183 HA THR 28 HA THR 28 -1.559 -10.884 4.461
184 HB THR 28 HB THR 28 -0.470 -8.590 6.122
185 HG1 THR 28 HG1 THR 28 -2.605 -8.043 6.441
186 1HG2 THR 28 1HG2 THR 28 -0.731 -7.310 4.277
187 2HG2 THR 28 2HG2 THR 28 -2.288 -8.043 3.891
188 3HG2 THR 28 3HG2 THR 28 -0.792 -8.830 3.385
189 H TYR 29 H TYR 29 0.033 -11.632 3.114
190 HA TYR 29 HA TYR 29 2.888 -11.100 3.866
191 1HB TYR 29 1HB TYR 29 3.359 -13.151 2.599
192 2HB TYR 29 2HB TYR 29 2.122 -13.468 3.814
193 HD1 TYR 29 HD1 TYR 29 -0.257 -13.701 3.162
194 HD2 TYR 29 HD2 TYR 29 2.849 -13.198 0.237
195 HE1 TYR 29 HE1 TYR 29 -1.808 -14.464 1.383
196 HE2 TYR 29 HE2 TYR 29 1.299 -13.962 -1.541
197 HH TYR 29 HH TYR 29 -1.571 -13.911 -1.623
198 H TYR 30 H TYR 30 3.804 -11.900 1.200
199 HA TYR 30 HA TYR 30 2.733 -9.652 -0.469
200 1HB TYR 30 1HB TYR 30 5.584 -10.396 0.231
201 2HB TYR 30 2HB TYR 30 5.182 -9.294 -1.085
202 HD1 TYR 30 HD1 TYR 30 4.033 -7.138 -0.613
203 HD2 TYR 30 HD2 TYR 30 5.381 -9.727 2.538
204 HE1 TYR 30 HE1 TYR 30 3.817 -5.275 1.010
205 HE2 TYR 30 HE2 TYR 30 5.165 -7.865 4.161
206 HH TYR 30 HH TYR 30 3.829 -5.723 4.333
207 H TRP 31 H TRP 31 2.508 -10.164 -2.643
208 HA TRP 31 HA TRP 31 3.364 -12.912 -3.479
209 1HB TRP 31 1HB TRP 31 0.999 -12.681 -3.550
210 2HB TRP 31 2HB TRP 31 1.095 -11.065 -4.226
211 HD1 TRP 31 HD1 TRP 31 3.402 -13.628 -5.721
212 HE1 TRP 31 HE1 TRP 31 2.588 -14.244 -8.088
213 HE3 TRP 31 HE3 TRP 31 -1.165 -11.343 -5.709
214 HZ2 TRP 31 HZ2 TRP 31 0.304 -13.824 -9.756
215 HZ3 TRP 31 HZ3 TRP 31 -2.638 -11.469 -7.698
216 HH2 TRP 31 HH2 TRP 31 -1.911 -12.706 -9.719
217 H HIS 32 H HIS 32 5.044 -12.927 -4.900
218 HA HIS 32 HA HIS 32 5.969 -10.468 -6.177
219 1HB HIS 32 1HB HIS 32 7.223 -12.577 -5.182
220 2HB HIS 32 2HB HIS 32 6.992 -13.223 -6.804
221 HD1 HIS 32 HD1 HIS 32 7.543 -9.539 -6.266
222 HD2 HIS 32 HD2 HIS 32 9.737 -12.869 -7.478
223 HE1 HIS 32 HE1 HIS 32 9.715 -8.658 -7.220
224 H ILE 33 H ILE 33 4.638 -9.798 -7.818
225 HA ILE 33 HA ILE 33 3.125 -11.434 -9.583
226 HB ILE 33 HB ILE 33 4.206 -8.612 -9.685
227 1HG1 ILE 33 1HG1 ILE 33 1.521 -9.859 -9.001
228 2HG1 ILE 33 2HG1 ILE 33 2.611 -9.019 -7.898
229 1HG2 ILE 33 1HG2 ILE 33 3.616 -8.579 -11.866
230 2HG2 ILE 33 2HG2 ILE 33 1.947 -8.783 -11.332
231 3HG2 ILE 33 3HG2 ILE 33 2.913 -10.193 -11.766
232 1HD1 ILE 33 1HD1 ILE 33 0.617 -7.917 -9.711
233 2HD1 ILE 33 2HD1 ILE 33 2.206 -7.199 -9.977
234 3HD1 ILE 33 3HD1 ILE 33 1.466 -7.137 -8.376
235 HA PRO 34 HA PRO 34 6.714 -10.787 -12.704
236 1HB PRO 34 1HB PRO 34 9.230 -10.473 -11.676
237 2HB PRO 34 2HB PRO 34 8.162 -9.113 -12.073
238 1HG PRO 34 1HG PRO 34 8.775 -10.330 -9.435
239 2HG PRO 34 2HG PRO 34 8.501 -8.636 -9.862
240 1HD PRO 34 1HD PRO 34 6.646 -10.233 -8.658
241 2HD PRO 34 2HD PRO 34 6.236 -8.818 -9.648
242 H THR 35 H THR 35 8.415 -12.152 -9.838
243 HA THR 35 HA THR 35 9.069 -14.573 -11.381
244 HB THR 35 HB THR 35 9.613 -14.411 -8.495
245 HG1 THR 35 HG1 THR 35 11.362 -12.825 -9.240
246 1HG2 THR 35 1HG2 THR 35 11.191 -15.837 -9.209
247 2HG2 THR 35 2HG2 THR 35 11.947 -14.515 -10.098
248 3HG2 THR 35 3HG2 THR 35 10.736 -15.528 -10.885
249 H GLY 36 H GLY 36 6.966 -13.670 -8.664
250 1HA GLY 36 1HA GLY 36 4.857 -14.869 -8.315
251 2HA GLY 36 2HA GLY 36 5.619 -16.313 -8.978
252 H THR 37 H THR 37 8.012 -15.170 -7.164
253 HA THR 37 HA THR 37 7.809 -17.112 -5.097
254 HB THR 37 HB THR 37 9.256 -14.527 -4.679
255 HG1 THR 37 HG1 THR 37 9.951 -16.456 -6.636
256 1HG2 THR 37 1HG2 THR 37 9.589 -17.409 -4.086
257 2HG2 THR 37 2HG2 THR 37 10.018 -16.000 -3.117
258 3HG2 THR 37 3HG2 THR 37 11.067 -16.512 -4.440
259 H THR 38 H THR 38 7.255 -16.854 -2.852
260 HA THR 38 HA THR 38 5.524 -14.469 -2.267
261 HB THR 38 HB THR 38 4.720 -16.536 -0.595
262 HG1 THR 38 HG1 THR 38 4.918 -18.369 -1.640
263 1HG2 THR 38 1HG2 THR 38 2.730 -16.136 -1.609
264 2HG2 THR 38 2HG2 THR 38 3.376 -16.469 -3.215
265 3HG2 THR 38 3HG2 THR 38 3.609 -14.882 -2.482
266 H GLN 39 H GLN 39 5.643 -13.673 -0.064
267 HA GLN 39 HA GLN 39 7.828 -14.804 1.630
268 1HB GLN 39 1HB GLN 39 7.519 -11.893 0.822
269 2HB GLN 39 2HB GLN 39 8.794 -12.559 1.845
270 1HG GLN 39 1HG GLN 39 9.122 -14.172 -0.261
271 2HG GLN 39 2HG GLN 39 8.414 -12.795 -1.107
272 1HE2 GLN 39 1HE2 GLN 39 11.361 -14.048 -0.084
273 2HE2 GLN 39 2HE2 GLN 39 12.263 -12.610 -0.057
274 H TRP 40 H TRP 40 7.574 -12.236 3.233
275 HA TRP 40 HA TRP 40 4.805 -12.423 4.289
276 1HB TRP 40 1HB TRP 40 7.357 -13.162 5.746
277 2HB TRP 40 2HB TRP 40 5.852 -12.802 6.594
278 HD1 TRP 40 HD1 TRP 40 7.628 -15.509 4.734
279 HE1 TRP 40 HE1 TRP 40 6.114 -17.586 4.545
280 HE3 TRP 40 HE3 TRP 40 3.197 -13.518 6.309
281 HZ2 TRP 40 HZ2 TRP 40 3.383 -18.309 5.001
282 HZ3 TRP 40 HZ3 TRP 40 1.158 -14.922 6.422
283 HH2 TRP 40 HH2 TRP 40 1.245 -17.313 5.770
284 H GLU 41 H GLU 41 8.044 -10.967 4.527
285 HA GLU 41 HA GLU 41 6.874 -8.516 5.753
286 1HB GLU 41 1HB GLU 41 9.758 -9.254 5.169
287 2HB GLU 41 2HB GLU 41 9.184 -8.010 6.281
288 1HG GLU 41 1HG GLU 41 8.037 -9.812 7.603
289 2HG GLU 41 2HG GLU 41 8.804 -11.006 6.555
290 HA PRO 42 HA PRO 42 7.153 -6.227 2.020
291 1HB PRO 42 1HB PRO 42 7.950 -3.770 2.920
292 2HB PRO 42 2HB PRO 42 6.318 -4.414 3.188
293 1HG PRO 42 1HG PRO 42 8.628 -4.276 5.053
294 2HG PRO 42 2HG PRO 42 6.900 -4.065 5.374
295 1HD PRO 42 1HD PRO 42 8.302 -6.353 5.942
296 2HD PRO 42 2HD PRO 42 6.550 -6.302 5.649
297 HA PRO 43 HA PRO 43 11.457 -6.597 0.958
298 1HB PRO 43 1HB PRO 43 11.178 -6.005 -1.698
299 2HB PRO 43 2HB PRO 43 10.735 -7.579 -1.009
300 1HG PRO 43 1HG PRO 43 9.000 -5.295 -1.778
301 2HG PRO 43 2HG PRO 43 8.703 -7.034 -1.908
302 1HD PRO 43 1HD PRO 43 7.649 -5.424 0.052
303 2HD PRO 43 2HD PRO 43 7.885 -7.178 0.213
304 H GLY 44 H GLY 44 13.045 -5.103 -0.366
305 1HA GLY 44 1HA GLY 44 12.256 -2.254 -0.332
306 2HA GLY 44 2HA GLY 44 13.565 -2.718 0.756
307 H ARG 45 H ARG 45 15.297 -4.153 -0.444
308 HA ARG 45 HA ARG 45 16.496 -2.551 -2.497
309 1HB ARG 45 1HB ARG 45 16.923 -5.187 -1.164
310 2HB ARG 45 2HB ARG 45 17.783 -4.908 -2.679
311 1HG ARG 45 1HG ARG 45 18.650 -2.761 -1.748
312 2HG ARG 45 2HG ARG 45 17.870 -3.145 -0.213
313 1HD ARG 45 1HD ARG 45 19.213 -5.244 -0.081
314 2HD ARG 45 2HD ARG 45 20.048 -4.771 -1.575
315 HE ARG 45 HE ARG 45 20.015 -2.830 0.679
316 1HH1 ARG 45 1HH1 ARG 45 21.778 -5.531 0.362
317 2HH1 ARG 45 2HH1 ARG 45 23.302 -4.778 0.034
318 1HH2 ARG 45 1HH2 ARG 45 21.936 -1.633 -0.485
319 2HH2 ARG 45 2HH2 ARG 45 23.392 -2.570 -0.445
320 H ALA 46 H ALA 46 16.746 -3.044 -4.761
321 HA ALA 46 HA ALA 46 14.962 -5.169 -5.866
322 1HB ALA 46 1HB ALA 46 14.352 -3.279 -7.581
323 2HB ALA 46 2HB ALA 46 14.908 -2.192 -6.309
324 3HB ALA 46 3HB ALA 46 13.561 -3.289 -6.005
325 H SER 47 H SER 47 16.433 -6.411 -6.984
326 HA SER 47 HA SER 47 18.954 -5.563 -7.980
327 1HB SER 47 1HB SER 47 18.813 -7.847 -7.905
328 2HB SER 47 2HB SER 47 17.087 -7.846 -8.251
329 HG SER 47 HG SER 47 19.276 -7.891 -9.969
330 HA PRO 48 HA PRO 48 16.905 -5.060 -12.273
331 1HB PRO 48 1HB PRO 48 14.180 -5.257 -12.433
332 2HB PRO 48 2HB PRO 48 15.260 -6.656 -12.595
333 1HG PRO 48 1HG PRO 48 13.659 -5.763 -10.252
334 2HG PRO 48 2HG PRO 48 13.988 -7.401 -10.837
335 1HD PRO 48 1HD PRO 48 15.278 -6.264 -8.715
336 2HD PRO 48 2HD PRO 48 15.989 -7.532 -9.737
337 H SER 49 H SER 49 15.981 -3.106 -13.261
338 HA SER 49 HA SER 49 15.306 -1.021 -11.226
339 1HB SER 49 1HB SER 49 16.656 0.321 -12.476
340 2HB SER 49 2HB SER 49 17.203 -1.174 -13.230
341 HG SER 49 HG SER 49 16.030 -0.742 -14.955
342 H GLN 50 H GLN 50 13.792 0.737 -12.150
343 HA GLN 50 HA GLN 50 11.305 -0.500 -13.003
344 1HB GLN 50 1HB GLN 50 12.311 2.304 -12.497
345 2HB GLN 50 2HB GLN 50 10.667 2.008 -13.065
346 1HG GLN 50 1HG GLN 50 10.136 0.703 -11.126
347 2HG GLN 50 2HG GLN 50 11.825 0.652 -10.621
348 1HE2 GLN 50 1HE2 GLN 50 10.004 1.640 -8.766
349 2HE2 GLN 50 2HE2 GLN 50 10.171 3.322 -8.617
Start of MODEL 14
1 H ASP 1 H ASP 1 -13.756 3.060 13.820
2 HA ASP 1 HA ASP 1 -16.359 3.042 15.153
3 1HB ASP 1 1HB ASP 1 -17.497 2.913 12.981
4 2HB ASP 1 2HB ASP 1 -16.621 4.439 13.101
5 H SER 2 H SER 2 -16.123 0.983 15.979
6 HA SER 2 HA SER 2 -15.777 -1.354 16.018
7 1HB SER 2 1HB SER 2 -17.165 -0.645 13.746
8 2HB SER 2 2HB SER 2 -15.816 -1.557 13.076
9 HG SER 2 HG SER 2 -17.885 -2.363 14.771
10 H PHE 3 H PHE 3 -13.616 -1.604 16.642
11 HA PHE 3 HA PHE 3 -11.267 -0.858 15.372
12 1HB PHE 3 1HB PHE 3 -12.027 -2.412 17.516
13 2HB PHE 3 2HB PHE 3 -11.236 -3.594 16.472
14 HD1 PHE 3 HD1 PHE 3 -10.533 0.054 16.865
15 HD2 PHE 3 HD2 PHE 3 -9.128 -3.960 17.470
16 HE1 PHE 3 HE1 PHE 3 -8.316 0.933 17.545
17 HE2 PHE 3 HE2 PHE 3 -6.910 -3.080 18.150
18 HZ PHE 3 HZ PHE 3 -6.505 -0.634 18.187
19 H TRP 4 H TRP 4 -13.349 -3.613 14.575
20 HA TRP 4 HA TRP 4 -11.723 -5.136 12.890
21 1HB TRP 4 1HB TRP 4 -13.947 -5.833 13.377
22 2HB TRP 4 2HB TRP 4 -14.632 -4.317 12.791
23 HD1 TRP 4 HD1 TRP 4 -15.552 -4.384 10.429
24 HE1 TRP 4 HE1 TRP 4 -15.228 -5.888 8.359
25 HE3 TRP 4 HE3 TRP 4 -11.901 -7.503 12.168
26 HZ2 TRP 4 HZ2 TRP 4 -13.631 -8.120 7.550
27 HZ3 TRP 4 HZ3 TRP 4 -10.998 -9.307 10.729
28 HH2 TRP 4 HH2 TRP 4 -11.857 -9.619 8.425
29 H ASN 5 H ASN 5 -11.055 -4.952 10.721
30 HA ASN 5 HA ASN 5 -11.659 -2.352 9.350
31 1HB ASN 5 1HB ASN 5 -9.198 -3.442 10.359
32 2HB ASN 5 2HB ASN 5 -9.096 -3.348 8.601
33 1HD2 ASN 5 1HD2 ASN 5 -7.569 -1.608 10.334
34 2HD2 ASN 5 2HD2 ASN 5 -8.128 -0.023 10.102
35 HA PRO 6 HA PRO 6 -12.840 -5.444 6.319
36 1HB PRO 6 1HB PRO 6 -14.186 -3.708 4.689
37 2HB PRO 6 2HB PRO 6 -14.885 -4.372 6.179
38 1HG PRO 6 1HG PRO 6 -13.735 -1.690 5.661
39 2HG PRO 6 2HG PRO 6 -15.077 -2.163 6.712
40 1HD PRO 6 1HD PRO 6 -12.518 -1.579 7.574
41 2HD PRO 6 2HD PRO 6 -13.707 -2.533 8.486
42 H ASN 7 H ASN 7 -13.000 -4.628 3.601
43 HA ASN 7 HA ASN 7 -10.353 -4.861 2.677
44 1HB ASN 7 1HB ASN 7 -12.878 -4.793 1.625
45 2HB ASN 7 2HB ASN 7 -12.218 -3.274 1.017
46 1HD2 ASN 7 1HD2 ASN 7 -12.772 -5.927 -0.414
47 2HD2 ASN 7 2HD2 ASN 7 -11.297 -6.315 -1.161
48 H ALA 8 H ALA 8 -12.209 -1.940 3.462
49 HA ALA 8 HA ALA 8 -11.487 0.296 3.741
50 1HB ALA 8 1HB ALA 8 -9.657 0.202 5.063
51 2HB ALA 8 2HB ALA 8 -8.643 -0.208 3.679
52 3HB ALA 8 3HB ALA 8 -9.451 -1.484 4.590
53 H PHE 9 H PHE 9 -9.038 1.436 2.724
54 HA PHE 9 HA PHE 9 -9.785 2.024 0.023
55 1HB PHE 9 1HB PHE 9 -7.818 3.375 0.070
56 2HB PHE 9 2HB PHE 9 -8.392 3.347 1.736
57 HD1 PHE 9 HD1 PHE 9 -5.707 2.443 -0.531
58 HD2 PHE 9 HD2 PHE 9 -7.324 1.765 3.390
59 HE1 PHE 9 HE1 PHE 9 -3.537 1.487 0.199
60 HE2 PHE 9 HE2 PHE 9 -5.156 0.808 4.119
61 HZ PHE 9 HZ PHE 9 -3.263 0.669 2.524
62 H GLU 10 H GLU 10 -7.303 1.861 -1.334
63 HA GLU 10 HA GLU 10 -7.425 -0.739 -2.506
64 1HB GLU 10 1HB GLU 10 -6.454 1.581 -3.281
65 2HB GLU 10 2HB GLU 10 -4.967 0.997 -2.534
66 1HG GLU 10 1HG GLU 10 -4.545 -0.220 -4.377
67 2HG GLU 10 2HG GLU 10 -6.016 -1.147 -4.076
68 H THR 11 H THR 11 -5.008 -1.876 -2.661
69 HA THR 11 HA THR 11 -4.317 -2.551 0.179
70 HB THR 11 HB THR 11 -3.737 -4.306 -2.186
71 HG1 THR 11 HG1 THR 11 -6.231 -4.390 -0.903
72 1HG2 THR 11 1HG2 THR 11 -4.862 -5.745 -0.077
73 2HG2 THR 11 2HG2 THR 11 -3.889 -4.505 0.715
74 3HG2 THR 11 3HG2 THR 11 -3.141 -5.605 -0.443
75 H ASP 12 H ASP 12 -1.949 -3.850 -0.167
76 HA ASP 12 HA ASP 12 0.367 -3.449 -0.414
77 1HB ASP 12 1HB ASP 12 -0.034 -3.840 -2.721
78 2HB ASP 12 2HB ASP 12 -0.912 -2.322 -2.910
79 H SER 13 H SER 13 0.601 -1.992 1.387
80 HA SER 13 HA SER 13 -0.088 0.738 1.496
81 1HB SER 13 1HB SER 13 2.063 0.717 3.024
82 2HB SER 13 2HB SER 13 0.658 -0.242 3.481
83 HG SER 13 HG SER 13 1.702 -2.029 2.975
84 H ASP 14 H ASP 14 3.331 -0.142 1.207
85 HA ASP 14 HA ASP 14 3.603 1.642 -1.170
86 1HB ASP 14 1HB ASP 14 4.474 2.092 1.608
87 2HB ASP 14 2HB ASP 14 5.749 2.339 0.413
88 H LEU 15 H LEU 15 3.842 -0.881 -1.760
89 HA LEU 15 HA LEU 15 6.587 -1.885 -1.223
90 1HB LEU 15 1HB LEU 15 4.021 -2.945 -2.403
91 2HB LEU 15 2HB LEU 15 5.532 -3.815 -2.650
92 HG LEU 15 HG LEU 15 4.442 -4.707 -0.669
93 1HD1 LEU 15 1HD1 LEU 15 6.268 -4.587 0.805
94 2HD1 LEU 15 2HD1 LEU 15 6.595 -2.900 0.412
95 3HD1 LEU 15 3HD1 LEU 15 6.992 -4.168 -0.747
96 1HD2 LEU 15 1HD2 LEU 15 4.539 -1.876 0.423
97 2HD2 LEU 15 2HD2 LEU 15 3.867 -3.294 1.230
98 3HD2 LEU 15 3HD2 LEU 15 3.084 -2.646 -0.210
99 HA PRO 16 HA PRO 16 8.209 -0.784 -5.151
100 1HB PRO 16 1HB PRO 16 9.457 -3.077 -5.996
101 2HB PRO 16 2HB PRO 16 10.092 -2.047 -4.696
102 1HG PRO 16 1HG PRO 16 8.542 -4.586 -4.511
103 2HG PRO 16 2HG PRO 16 9.924 -4.037 -3.550
104 1HD PRO 16 1HD PRO 16 7.376 -3.916 -2.645
105 2HD PRO 16 2HD PRO 16 8.623 -2.742 -2.167
106 H ALA 17 H ALA 17 8.456 -2.089 -7.545
107 HA ALA 17 HA ALA 17 5.629 -2.486 -8.327
108 1HB ALA 17 1HB ALA 17 8.111 -1.525 -9.467
109 2HB ALA 17 2HB ALA 17 6.464 -1.300 -10.057
110 3HB ALA 17 3HB ALA 17 7.382 -2.731 -10.526
111 H GLY 18 H GLY 18 4.790 -4.514 -8.510
112 1HA GLY 18 1HA GLY 18 4.873 -6.722 -9.570
113 2HA GLY 18 2HA GLY 18 6.612 -6.741 -9.297
114 H TRP 19 H TRP 19 5.421 -5.470 -6.522
115 HA TRP 19 HA TRP 19 5.241 -8.181 -5.252
116 1HB TRP 19 1HB TRP 19 6.436 -5.530 -4.511
117 2HB TRP 19 2HB TRP 19 5.907 -6.606 -3.219
118 HD1 TRP 19 HD1 TRP 19 8.676 -6.055 -5.647
119 HE1 TRP 19 HE1 TRP 19 10.394 -7.970 -5.489
120 HE3 TRP 19 HE3 TRP 19 6.056 -9.354 -2.762
121 HZ2 TRP 19 HZ2 TRP 19 10.625 -10.561 -4.298
122 HZ3 TRP 19 HZ3 TRP 19 7.047 -11.537 -2.133
123 HH2 TRP 19 HH2 TRP 19 9.326 -12.144 -2.898
124 H MET 20 H MET 20 3.083 -8.599 -4.892
125 HA MET 20 HA MET 20 1.192 -6.398 -4.349
126 1HB MET 20 1HB MET 20 0.625 -8.172 -5.909
127 2HB MET 20 2HB MET 20 0.917 -9.393 -4.687
128 1HG MET 20 1HG MET 20 -0.971 -8.710 -3.415
129 2HG MET 20 2HG MET 20 -1.136 -7.213 -4.332
130 1HE MET 20 1HE MET 20 -3.537 -7.870 -4.230
131 2HE MET 20 2HE MET 20 -3.542 -9.583 -3.822
132 3HE MET 20 3HE MET 20 -4.346 -9.032 -5.290
133 H ARG 21 H ARG 21 -0.450 -6.846 -2.618
134 HA ARG 21 HA ARG 21 0.850 -7.925 -0.135
135 1HB ARG 21 1HB ARG 21 0.542 -5.392 -0.431
136 2HB ARG 21 2HB ARG 21 -1.192 -5.695 -0.317
137 1HG ARG 21 1HG ARG 21 -0.878 -6.748 1.886
138 2HG ARG 21 2HG ARG 21 0.862 -6.471 1.775
139 1HD ARG 21 1HD ARG 21 0.444 -4.016 1.639
140 2HD ARG 21 2HD ARG 21 -1.291 -4.327 1.853
141 HE ARG 21 HE ARG 21 0.314 -5.649 3.884
142 1HH1 ARG 21 1HH1 ARG 21 -2.409 -4.039 3.877
143 2HH1 ARG 21 2HH1 ARG 21 -2.011 -2.823 5.045
144 1HH2 ARG 21 1HH2 ARG 21 1.390 -3.496 4.978
145 2HH2 ARG 21 2HH2 ARG 21 0.140 -2.515 5.669
146 H VAL 22 H VAL 22 -0.200 -9.902 0.154
147 HA VAL 22 HA VAL 22 -3.166 -9.969 -0.251
148 HB VAL 22 HB VAL 22 -1.272 -12.295 0.091
149 1HG1 VAL 22 1HG1 VAL 22 -3.829 -12.086 -1.505
150 2HG1 VAL 22 2HG1 VAL 22 -3.809 -12.548 0.197
151 3HG1 VAL 22 3HG1 VAL 22 -2.984 -13.549 -0.998
152 1HG2 VAL 22 1HG2 VAL 22 -2.044 -10.936 -2.511
153 2HG2 VAL 22 2HG2 VAL 22 -1.007 -12.351 -2.336
154 3HG2 VAL 22 3HG2 VAL 22 -0.466 -10.783 -1.737
155 H GLN 23 H GLN 23 -4.411 -11.186 1.360
156 HA GLN 23 HA GLN 23 -3.157 -11.146 4.085
157 1HB GLN 23 1HB GLN 23 -5.709 -10.126 2.942
158 2HB GLN 23 2HB GLN 23 -5.801 -10.833 4.555
159 1HG GLN 23 1HG GLN 23 -4.496 -9.193 5.505
160 2HG GLN 23 2HG GLN 23 -3.559 -8.942 4.032
161 1HE2 GLN 23 1HE2 GLN 23 -4.511 -7.562 2.341
162 2HE2 GLN 23 2HE2 GLN 23 -5.787 -6.502 2.702
163 H ASP 24 H ASP 24 -2.618 -13.473 3.597
164 HA ASP 24 HA ASP 24 -4.725 -15.404 3.127
165 1HB ASP 24 1HB ASP 24 -1.887 -15.259 3.307
166 2HB ASP 24 2HB ASP 24 -2.430 -16.534 4.394
167 H THR 25 H THR 25 -5.551 -16.943 4.690
168 HA THR 25 HA THR 25 -6.521 -15.997 7.110
169 HB THR 25 HB THR 25 -6.769 -18.393 7.676
170 HG1 THR 25 HG1 THR 25 -4.899 -19.322 7.143
171 1HG2 THR 25 1HG2 THR 25 -8.301 -18.702 6.030
172 2HG2 THR 25 2HG2 THR 25 -7.095 -18.541 4.752
173 3HG2 THR 25 3HG2 THR 25 -7.797 -17.101 5.487
174 H SER 26 H SER 26 -3.284 -17.194 6.428
175 HA SER 26 HA SER 26 -2.478 -17.497 9.207
176 1HB SER 26 1HB SER 26 -1.420 -17.823 6.514
177 2HB SER 26 2HB SER 26 -0.224 -17.110 7.590
178 HG SER 26 HG SER 26 -0.559 -18.837 9.012
179 H GLY 27 H GLY 27 -2.038 -14.981 6.726
180 1HA GLY 27 1HA GLY 27 -2.150 -12.779 8.464
181 2HA GLY 27 2HA GLY 27 -0.450 -13.244 8.385
182 H THR 28 H THR 28 -0.631 -10.876 7.401
183 HA THR 28 HA THR 28 -1.376 -10.922 4.531
184 HB THR 28 HB THR 28 -0.336 -8.749 6.378
185 HG1 THR 28 HG1 THR 28 -2.326 -9.206 7.061
186 1HG2 THR 28 1HG2 THR 28 -0.555 -7.244 4.657
187 2HG2 THR 28 2HG2 THR 28 -1.851 -8.158 3.885
188 3HG2 THR 28 3HG2 THR 28 -0.175 -8.674 3.697
189 H TYR 29 H TYR 29 0.185 -11.698 3.158
190 HA TYR 29 HA TYR 29 3.051 -11.094 3.808
191 1HB TYR 29 1HB TYR 29 3.532 -13.152 2.575
192 2HB TYR 29 2HB TYR 29 2.315 -13.479 3.808
193 HD1 TYR 29 HD1 TYR 29 3.002 -13.242 0.227
194 HD2 TYR 29 HD2 TYR 29 -0.070 -13.752 3.183
195 HE1 TYR 29 HE1 TYR 29 1.448 -14.045 -1.531
196 HE2 TYR 29 HE2 TYR 29 -1.626 -14.556 1.427
197 HH TYR 29 HH TYR 29 -1.212 -15.734 -0.995
198 H TYR 30 H TYR 30 3.981 -11.839 1.188
199 HA TYR 30 HA TYR 30 2.771 -9.704 -0.537
200 1HB TYR 30 1HB TYR 30 5.683 -10.302 0.074
201 2HB TYR 30 2HB TYR 30 5.146 -9.152 -1.150
202 HD1 TYR 30 HD1 TYR 30 3.857 -7.124 -0.487
203 HD2 TYR 30 HD2 TYR 30 5.589 -9.774 2.415
204 HE1 TYR 30 HE1 TYR 30 3.602 -5.379 1.256
205 HE2 TYR 30 HE2 TYR 30 5.333 -8.030 4.159
206 HH TYR 30 HH TYR 30 4.880 -5.854 4.528
207 H TRP 31 H TRP 31 2.802 -10.174 -2.782
208 HA TRP 31 HA TRP 31 3.630 -12.972 -3.487
209 1HB TRP 31 1HB TRP 31 1.239 -12.641 -3.585
210 2HB TRP 31 2HB TRP 31 1.433 -11.138 -4.476
211 HD1 TRP 31 HD1 TRP 31 3.786 -13.791 -5.582
212 HE1 TRP 31 HE1 TRP 31 3.024 -14.771 -7.842
213 HE3 TRP 31 HE3 TRP 31 -0.894 -11.772 -5.885
214 HZ2 TRP 31 HZ2 TRP 31 0.732 -14.705 -9.552
215 HZ3 TRP 31 HZ3 TRP 31 -2.344 -12.246 -7.838
216 HH2 TRP 31 HH2 TRP 31 -1.537 -13.708 -9.670
217 H HIS 32 H HIS 32 5.409 -12.996 -4.801
218 HA HIS 32 HA HIS 32 6.345 -10.605 -6.183
219 1HB HIS 32 1HB HIS 32 7.624 -12.601 -5.105
220 2HB HIS 32 2HB HIS 32 7.297 -13.438 -6.624
221 HD1 HIS 32 HD1 HIS 32 10.096 -12.095 -5.394
222 HD2 HIS 32 HD2 HIS 32 7.819 -10.870 -8.659
223 HE1 HIS 32 HE1 HIS 32 11.639 -10.731 -6.868
224 H ILE 33 H ILE 33 4.448 -10.222 -7.531
225 HA ILE 33 HA ILE 33 3.217 -11.929 -9.359
226 HB ILE 33 HB ILE 33 3.844 -8.978 -9.309
227 1HG1 ILE 33 1HG1 ILE 33 1.351 -10.658 -8.871
228 2HG1 ILE 33 2HG1 ILE 33 2.271 -9.802 -7.631
229 1HG2 ILE 33 1HG2 ILE 33 1.943 -8.910 -11.087
230 2HG2 ILE 33 2HG2 ILE 33 2.393 -10.585 -11.411
231 3HG2 ILE 33 3HG2 ILE 33 3.576 -9.294 -11.631
232 1HD1 ILE 33 1HD1 ILE 33 0.106 -8.698 -8.637
233 2HD1 ILE 33 2HD1 ILE 33 1.175 -8.272 -9.972
234 3HD1 ILE 33 3HD1 ILE 33 1.533 -7.707 -8.341
235 HA PRO 34 HA PRO 34 6.335 -10.653 -12.769
236 1HB PRO 34 1HB PRO 34 8.752 -9.632 -11.978
237 2HB PRO 34 2HB PRO 34 7.339 -8.626 -12.356
238 1HG PRO 34 1HG PRO 34 8.399 -9.481 -9.711
239 2HG PRO 34 2HG PRO 34 7.723 -7.923 -10.204
240 1HD PRO 34 1HD PRO 34 6.313 -9.755 -8.778
241 2HD PRO 34 2HD PRO 34 5.553 -8.614 -9.911
242 H THR 35 H THR 35 7.124 -12.273 -9.843
243 HA THR 35 HA THR 35 9.041 -14.029 -11.332
244 HB THR 35 HB THR 35 8.863 -13.395 -8.400
245 HG1 THR 35 HG1 THR 35 10.643 -12.581 -10.438
246 1HG2 THR 35 1HG2 THR 35 10.047 -15.294 -8.157
247 2HG2 THR 35 2HG2 THR 35 11.360 -14.475 -9.003
248 3HG2 THR 35 3HG2 THR 35 10.220 -15.475 -9.903
249 H GLY 36 H GLY 36 7.289 -14.404 -8.262
250 1HA GLY 36 1HA GLY 36 5.152 -15.930 -8.634
251 2HA GLY 36 2HA GLY 36 6.380 -17.076 -9.180
252 H THR 37 H THR 37 8.209 -15.666 -7.105
253 HA THR 37 HA THR 37 7.795 -17.597 -4.972
254 HB THR 37 HB THR 37 9.525 -15.121 -4.939
255 HG1 THR 37 HG1 THR 37 11.023 -16.856 -5.901
256 1HG2 THR 37 1HG2 THR 37 11.040 -17.068 -3.926
257 2HG2 THR 37 2HG2 THR 37 9.460 -17.763 -3.566
258 3HG2 THR 37 3HG2 THR 37 9.891 -16.174 -2.932
259 H THR 38 H THR 38 7.465 -16.938 -2.684
260 HA THR 38 HA THR 38 5.769 -14.471 -2.446
261 HB THR 38 HB THR 38 5.057 -16.257 -0.414
262 HG1 THR 38 HG1 THR 38 4.896 -18.216 -1.382
263 1HG2 THR 38 1HG2 THR 38 3.254 -15.220 -1.366
264 2HG2 THR 38 2HG2 THR 38 3.167 -16.722 -2.285
265 3HG2 THR 38 3HG2 THR 38 3.934 -15.299 -2.990
266 H GLN 39 H GLN 39 5.700 -13.705 -0.066
267 HA GLN 39 HA GLN 39 8.176 -14.336 1.458
268 1HB GLN 39 1HB GLN 39 7.369 -11.589 0.444
269 2HB GLN 39 2HB GLN 39 8.727 -11.907 1.526
270 1HG GLN 39 1HG GLN 39 9.510 -13.573 -0.311
271 2HG GLN 39 2HG GLN 39 8.403 -12.691 -1.364
272 1HE2 GLN 39 1HE2 GLN 39 11.572 -12.783 -0.826
273 2HE2 GLN 39 2HE2 GLN 39 11.978 -11.138 -0.922
274 H TRP 40 H TRP 40 7.793 -11.940 3.129
275 HA TRP 40 HA TRP 40 5.073 -12.303 4.275
276 1HB TRP 40 1HB TRP 40 7.718 -13.041 5.521
277 2HB TRP 40 2HB TRP 40 6.347 -12.600 6.537
278 HD1 TRP 40 HD1 TRP 40 7.827 -15.466 4.757
279 HE1 TRP 40 HE1 TRP 40 6.187 -17.455 4.710
280 HE3 TRP 40 HE3 TRP 40 3.550 -13.120 6.273
281 HZ2 TRP 40 HZ2 TRP 40 3.426 -17.982 5.245
282 HZ3 TRP 40 HZ3 TRP 40 1.432 -14.389 6.494
283 HH2 TRP 40 HH2 TRP 40 1.365 -16.814 5.984
284 H GLU 41 H GLU 41 8.248 -10.687 4.551
285 HA GLU 41 HA GLU 41 6.942 -8.333 5.826
286 1HB GLU 41 1HB GLU 41 9.747 -9.370 5.453
287 2HB GLU 41 2HB GLU 41 9.478 -7.694 5.925
288 1HG GLU 41 1HG GLU 41 7.784 -9.348 7.528
289 2HG GLU 41 2HG GLU 41 9.417 -10.015 7.584
290 HA PRO 42 HA PRO 42 7.157 -5.858 2.213
291 1HB PRO 42 1HB PRO 42 8.036 -3.453 3.178
292 2HB PRO 42 2HB PRO 42 6.405 -4.080 3.488
293 1HG PRO 42 1HG PRO 42 8.796 -4.075 5.255
294 2HG PRO 42 2HG PRO 42 7.092 -3.820 5.660
295 1HD PRO 42 1HD PRO 42 8.420 -6.170 6.093
296 2HD PRO 42 2HD PRO 42 6.665 -6.058 5.835
297 HA PRO 43 HA PRO 43 11.514 -6.436 1.232
298 1HB PRO 43 1HB PRO 43 11.149 -6.493 -1.480
299 2HB PRO 43 2HB PRO 43 10.844 -7.895 -0.435
300 1HG PRO 43 1HG PRO 43 8.917 -5.965 -1.623
301 2HG PRO 43 2HG PRO 43 8.765 -7.713 -1.388
302 1HD PRO 43 1HD PRO 43 7.588 -5.855 0.235
303 2HD PRO 43 2HD PRO 43 8.039 -7.490 0.769
304 H GLY 44 H GLY 44 10.389 -4.769 -1.629
305 1HA GLY 44 1HA GLY 44 11.153 -2.729 -2.535
306 2HA GLY 44 2HA GLY 44 10.544 -2.081 -1.011
307 H ARG 45 H ARG 45 13.412 -3.857 -2.220
308 HA ARG 45 HA ARG 45 15.225 -3.266 -0.176
309 1HB ARG 45 1HB ARG 45 15.387 -3.645 -3.152
310 2HB ARG 45 2HB ARG 45 16.851 -3.224 -2.263
311 1HG ARG 45 1HG ARG 45 15.757 -5.198 -0.681
312 2HG ARG 45 2HG ARG 45 15.351 -5.752 -2.306
313 1HD ARG 45 1HD ARG 45 17.482 -6.472 -2.555
314 2HD ARG 45 2HD ARG 45 18.046 -4.799 -2.374
315 HE ARG 45 HE ARG 45 17.837 -5.251 0.160
316 1HH1 ARG 45 1HH1 ARG 45 19.835 -6.842 -1.870
317 2HH1 ARG 45 2HH1 ARG 45 20.009 -8.284 -0.925
318 1HH2 ARG 45 1HH2 ARG 45 17.434 -7.485 1.254
319 2HH2 ARG 45 2HH2 ARG 45 18.649 -8.647 0.843
320 H ALA 46 H ALA 46 15.805 -1.527 -3.178
321 HA ALA 46 HA ALA 46 15.210 1.123 -2.173
322 1HB ALA 46 1HB ALA 46 18.150 0.726 -2.358
323 2HB ALA 46 2HB ALA 46 17.360 -0.022 -0.970
324 3HB ALA 46 3HB ALA 46 17.220 1.717 -1.234
325 H SER 47 H SER 47 16.920 2.688 -3.575
326 HA SER 47 HA SER 47 17.222 1.557 -6.310
327 1HB SER 47 1HB SER 47 14.934 2.858 -5.549
328 2HB SER 47 2HB SER 47 15.896 4.197 -6.169
329 HG SER 47 HG SER 47 14.698 3.189 -7.825
330 HA PRO 48 HA PRO 48 20.603 4.439 -5.092
331 1HB PRO 48 1HB PRO 48 22.625 2.849 -6.029
332 2HB PRO 48 2HB PRO 48 21.941 2.681 -4.400
333 1HG PRO 48 1HG PRO 48 21.437 1.060 -6.840
334 2HG PRO 48 2HG PRO 48 21.554 0.551 -5.149
335 1HD PRO 48 1HD PRO 48 19.188 0.866 -6.492
336 2HD PRO 48 2HD PRO 48 19.356 1.003 -4.728
337 H SER 49 H SER 49 22.497 5.151 -6.689
338 HA SER 49 HA SER 49 21.627 4.959 -9.538
339 1HB SER 49 1HB SER 49 20.821 7.010 -7.973
340 2HB SER 49 2HB SER 49 22.388 7.637 -8.476
341 HG SER 49 HG SER 49 20.276 7.856 -9.839
342 H GLN 50 H GLN 50 23.855 3.653 -8.509
343 HA GLN 50 HA GLN 50 26.138 5.364 -9.446
344 1HB GLN 50 1HB GLN 50 26.003 4.756 -6.987
345 2HB GLN 50 2HB GLN 50 26.193 3.068 -7.466
346 1HG GLN 50 1HG GLN 50 28.313 3.752 -8.671
347 2HG GLN 50 2HG GLN 50 28.156 5.330 -7.900
348 1HE2 GLN 50 1HE2 GLN 50 29.294 5.486 -5.969
349 2HE2 GLN 50 2HE2 GLN 50 29.646 4.190 -4.932
Start of MODEL 15
1 H ASP 1 H ASP 1 3.991 -1.860 13.416
2 HA ASP 1 HA ASP 1 6.130 -2.926 14.353
3 1HB ASP 1 1HB ASP 1 6.970 -0.575 12.777
4 2HB ASP 1 2HB ASP 1 7.693 -0.664 14.383
5 H SER 2 H SER 2 3.845 -2.312 15.518
6 HA SER 2 HA SER 2 4.607 -0.507 17.741
7 1HB SER 2 1HB SER 2 2.540 0.006 15.649
8 2HB SER 2 2HB SER 2 2.148 0.470 17.302
9 HG SER 2 HG SER 2 3.228 2.131 16.114
10 H PHE 3 H PHE 3 2.415 -0.444 19.232
11 HA PHE 3 HA PHE 3 1.476 -3.289 19.428
12 1HB PHE 3 1HB PHE 3 1.429 -2.731 21.918
13 2HB PHE 3 2HB PHE 3 3.035 -2.785 21.191
14 HD1 PHE 3 HD1 PHE 3 0.400 -0.603 22.552
15 HD2 PHE 3 HD2 PHE 3 4.313 -0.743 20.785
16 HE1 PHE 3 HE1 PHE 3 0.791 1.751 23.230
17 HE2 PHE 3 HE2 PHE 3 4.703 1.611 21.463
18 HZ PHE 3 HZ PHE 3 2.943 2.857 22.685
19 H TRP 4 H TRP 4 0.628 0.095 19.443
20 HA TRP 4 HA TRP 4 -1.828 0.276 20.691
21 1HB TRP 4 1HB TRP 4 -0.605 1.381 18.202
22 2HB TRP 4 2HB TRP 4 -2.326 1.676 18.451
23 HD1 TRP 4 HD1 TRP 4 0.890 3.148 19.225
24 HE1 TRP 4 HE1 TRP 4 0.730 4.799 21.199
25 HE3 TRP 4 HE3 TRP 4 -3.697 1.873 21.069
26 HZ2 TRP 4 HZ2 TRP 4 -1.103 5.486 23.285
27 HZ3 TRP 4 HZ3 TRP 4 -4.626 3.041 23.049
28 HH2 TRP 4 HH2 TRP 4 -3.336 4.845 24.157
29 H ASN 5 H ASN 5 -2.131 0.041 17.196
30 HA ASN 5 HA ASN 5 -3.511 -2.539 17.225
31 1HB ASN 5 1HB ASN 5 -4.888 -0.164 17.963
32 2HB ASN 5 2HB ASN 5 -5.461 -0.606 16.354
33 1HD2 ASN 5 1HD2 ASN 5 -7.251 -1.954 16.473
34 2HD2 ASN 5 2HD2 ASN 5 -7.510 -3.137 17.664
35 HA PRO 6 HA PRO 6 -1.934 -1.405 13.122
36 1HB PRO 6 1HB PRO 6 -1.266 -3.962 12.414
37 2HB PRO 6 2HB PRO 6 -0.213 -2.928 13.398
38 1HG PRO 6 1HG PRO 6 -1.981 -5.160 14.225
39 2HG PRO 6 2HG PRO 6 -0.416 -4.654 14.876
40 1HD PRO 6 1HD PRO 6 -2.860 -4.106 16.033
41 2HD PRO 6 2HD PRO 6 -1.366 -3.196 16.340
42 H ASN 7 H ASN 7 -2.389 -3.342 11.081
43 HA ASN 7 HA ASN 7 -4.102 -4.060 9.621
44 1HB ASN 7 1HB ASN 7 -4.395 -5.623 11.522
45 2HB ASN 7 2HB ASN 7 -5.474 -4.464 12.300
46 1HD2 ASN 7 1HD2 ASN 7 -5.187 -6.723 9.580
47 2HD2 ASN 7 2HD2 ASN 7 -6.835 -6.715 9.173
48 H ALA 8 H ALA 8 -3.960 -1.211 10.285
49 HA ALA 8 HA ALA 8 -6.402 -0.279 9.150
50 1HB ALA 8 1HB ALA 8 -7.132 0.815 11.454
51 2HB ALA 8 2HB ALA 8 -6.233 -0.540 12.135
52 3HB ALA 8 3HB ALA 8 -7.604 -0.839 11.067
53 H PHE 9 H PHE 9 -3.515 0.245 9.071
54 HA PHE 9 HA PHE 9 -3.506 3.141 9.865
55 1HB PHE 9 1HB PHE 9 -1.755 0.919 10.451
56 2HB PHE 9 2HB PHE 9 -0.866 2.153 9.558
57 HD1 PHE 9 HD1 PHE 9 -1.867 1.144 12.765
58 HD2 PHE 9 HD2 PHE 9 -1.427 4.662 10.339
59 HE1 PHE 9 HE1 PHE 9 -1.741 2.538 14.811
60 HE2 PHE 9 HE2 PHE 9 -1.301 6.057 12.387
61 HZ PHE 9 HZ PHE 9 -1.459 4.994 14.623
62 H GLU 10 H GLU 10 -4.499 3.305 7.583
63 HA GLU 10 HA GLU 10 -4.244 3.835 5.293
64 1HB GLU 10 1HB GLU 10 -2.710 5.439 6.435
65 2HB GLU 10 2HB GLU 10 -1.400 4.270 6.262
66 1HG GLU 10 1HG GLU 10 -1.414 4.438 3.893
67 2HG GLU 10 2HG GLU 10 -2.983 5.246 3.883
68 H THR 11 H THR 11 -2.815 3.223 3.291
69 HA THR 11 HA THR 11 -2.612 0.357 3.141
70 HB THR 11 HB THR 11 -1.221 2.248 1.263
71 HG1 THR 11 HG1 THR 11 -3.272 2.744 0.400
72 1HG2 THR 11 1HG2 THR 11 -2.960 0.540 -0.089
73 2HG2 THR 11 2HG2 THR 11 -2.337 -0.443 1.236
74 3HG2 THR 11 3HG2 THR 11 -1.221 0.316 0.100
75 H ASP 12 H ASP 12 -0.244 -0.185 1.830
76 HA ASP 12 HA ASP 12 1.664 -0.316 4.026
77 1HB ASP 12 1HB ASP 12 1.423 -1.233 1.185
78 2HB ASP 12 2HB ASP 12 3.024 -1.248 1.927
79 H SER 13 H SER 13 4.121 0.120 2.982
80 HA SER 13 HA SER 13 4.218 3.057 2.718
81 1HB SER 13 1HB SER 13 6.757 2.377 2.746
82 2HB SER 13 2HB SER 13 5.799 2.181 4.212
83 HG SER 13 HG SER 13 6.946 0.305 2.578
84 H ASP 14 H ASP 14 3.090 1.646 0.438
85 HA ASP 14 HA ASP 14 3.291 1.655 -1.917
86 1HB ASP 14 1HB ASP 14 4.522 3.936 -0.828
87 2HB ASP 14 2HB ASP 14 5.670 3.324 -2.020
88 H LEU 15 H LEU 15 4.027 -0.619 -1.838
89 HA LEU 15 HA LEU 15 6.796 -1.368 -1.597
90 1HB LEU 15 1HB LEU 15 4.262 -2.574 -2.692
91 2HB LEU 15 2HB LEU 15 5.794 -3.418 -2.899
92 HG LEU 15 HG LEU 15 4.667 -4.173 -0.846
93 1HD1 LEU 15 1HD1 LEU 15 7.230 -3.804 -1.046
94 2HD1 LEU 15 2HD1 LEU 15 6.553 -4.045 0.565
95 3HD1 LEU 15 3HD1 LEU 15 6.965 -2.420 0.015
96 1HD2 LEU 15 1HD2 LEU 15 3.500 -1.915 -0.526
97 2HD2 LEU 15 2HD2 LEU 15 5.011 -1.348 0.186
98 3HD2 LEU 15 3HD2 LEU 15 4.126 -2.675 0.938
99 HA PRO 16 HA PRO 16 8.403 -0.510 -5.588
100 1HB PRO 16 1HB PRO 16 9.748 -2.808 -6.242
101 2HB PRO 16 2HB PRO 16 10.328 -1.660 -5.017
102 1HG PRO 16 1HG PRO 16 8.884 -4.241 -4.658
103 2HG PRO 16 2HG PRO 16 10.223 -3.557 -3.722
104 1HD PRO 16 1HD PRO 16 7.642 -3.487 -2.880
105 2HD PRO 16 2HD PRO 16 8.837 -2.243 -2.447
106 H ALA 17 H ALA 17 8.737 -2.044 -7.856
107 HA ALA 17 HA ALA 17 5.927 -2.617 -8.609
108 1HB ALA 17 1HB ALA 17 7.313 -1.120 -9.974
109 2HB ALA 17 2HB ALA 17 6.920 -2.570 -10.896
110 3HB ALA 17 3HB ALA 17 8.519 -2.391 -10.174
111 H GLY 18 H GLY 18 5.209 -4.702 -8.566
112 1HA GLY 18 1HA GLY 18 5.500 -6.970 -9.554
113 2HA GLY 18 2HA GLY 18 7.195 -6.877 -9.085
114 H TRP 19 H TRP 19 5.457 -5.474 -6.617
115 HA TRP 19 HA TRP 19 5.283 -8.088 -5.159
116 1HB TRP 19 1HB TRP 19 6.292 -5.343 -4.431
117 2HB TRP 19 2HB TRP 19 5.796 -6.481 -3.182
118 HD1 TRP 19 HD1 TRP 19 8.539 -5.778 -5.659
119 HE1 TRP 19 HE1 TRP 19 10.429 -7.506 -5.367
120 HE3 TRP 19 HE3 TRP 19 6.257 -9.053 -2.473
121 HZ2 TRP 19 HZ2 TRP 19 10.910 -9.956 -3.969
122 HZ3 TRP 19 HZ3 TRP 19 7.452 -11.073 -1.678
123 HH2 TRP 19 HH2 TRP 19 9.773 -11.528 -2.422
124 H MET 20 H MET 20 3.338 -8.477 -4.110
125 HA MET 20 HA MET 20 1.320 -6.258 -4.111
126 1HB MET 20 1HB MET 20 0.977 -8.146 -5.714
127 2HB MET 20 2HB MET 20 0.899 -9.251 -4.358
128 1HG MET 20 1HG MET 20 -1.345 -8.511 -5.225
129 2HG MET 20 2HG MET 20 -1.089 -8.164 -3.518
130 1HE MET 20 1HE MET 20 -2.683 -6.330 -6.603
131 2HE MET 20 2HE MET 20 -3.340 -5.496 -5.197
132 3HE MET 20 3HE MET 20 -3.175 -7.249 -5.174
133 H ARG 21 H ARG 21 -0.472 -6.798 -2.502
134 HA ARG 21 HA ARG 21 0.709 -7.849 0.052
135 1HB ARG 21 1HB ARG 21 0.354 -5.341 -0.188
136 2HB ARG 21 2HB ARG 21 -1.376 -5.673 -0.287
137 1HG ARG 21 1HG ARG 21 -0.978 -7.027 1.919
138 2HG ARG 21 2HG ARG 21 0.491 -6.058 2.040
139 1HD ARG 21 1HD ARG 21 -0.714 -4.296 2.795
140 2HD ARG 21 2HD ARG 21 -1.728 -4.344 1.339
141 HE ARG 21 HE ARG 21 -2.867 -6.354 2.608
142 1HH1 ARG 21 1HH1 ARG 21 -2.041 -3.206 3.644
143 2HH1 ARG 21 2HH1 ARG 21 -2.842 -3.339 5.175
144 1HH2 ARG 21 1HH2 ARG 21 -3.683 -6.675 4.741
145 2HH2 ARG 21 2HH2 ARG 21 -3.772 -5.304 5.795
146 H VAL 22 H VAL 22 -0.264 -9.889 0.180
147 HA VAL 22 HA VAL 22 -3.199 -10.067 -0.375
148 HB VAL 22 HB VAL 22 -1.062 -12.193 -0.074
149 1HG1 VAL 22 1HG1 VAL 22 -3.964 -12.270 -0.917
150 2HG1 VAL 22 2HG1 VAL 22 -3.198 -13.159 0.399
151 3HG1 VAL 22 3HG1 VAL 22 -2.833 -13.575 -1.275
152 1HG2 VAL 22 1HG2 VAL 22 -1.338 -12.358 -2.579
153 2HG2 VAL 22 2HG2 VAL 22 -0.597 -10.854 -2.034
154 3HG2 VAL 22 3HG2 VAL 22 -2.295 -10.879 -2.511
155 H GLN 23 H GLN 23 -4.365 -11.638 1.113
156 HA GLN 23 HA GLN 23 -3.379 -11.347 3.934
157 1HB GLN 23 1HB GLN 23 -5.873 -10.667 2.552
158 2HB GLN 23 2HB GLN 23 -6.146 -11.643 3.995
159 1HG GLN 23 1HG GLN 23 -5.793 -9.833 5.281
160 2HG GLN 23 2HG GLN 23 -4.159 -9.697 4.630
161 1HE2 GLN 23 1HE2 GLN 23 -4.089 -8.596 2.344
162 2HE2 GLN 23 2HE2 GLN 23 -5.135 -7.280 2.114
163 H ASP 24 H ASP 24 -2.384 -13.506 3.753
164 HA ASP 24 HA ASP 24 -3.962 -15.836 3.038
165 1HB ASP 24 1HB ASP 24 -1.276 -15.116 3.630
166 2HB ASP 24 2HB ASP 24 -1.721 -16.436 4.707
167 H THR 25 H THR 25 -4.782 -17.442 4.511
168 HA THR 25 HA THR 25 -6.214 -16.599 6.755
169 HB THR 25 HB THR 25 -6.588 -18.733 5.700
170 HG1 THR 25 HG1 THR 25 -7.127 -19.409 7.594
171 1HG2 THR 25 1HG2 THR 25 -3.673 -19.097 6.279
172 2HG2 THR 25 2HG2 THR 25 -4.572 -19.441 4.801
173 3HG2 THR 25 3HG2 THR 25 -4.705 -20.524 6.186
174 H SER 26 H SER 26 -2.792 -17.244 6.508
175 HA SER 26 HA SER 26 -2.405 -17.478 9.420
176 1HB SER 26 1HB SER 26 -0.937 -17.909 6.935
177 2HB SER 26 2HB SER 26 0.051 -17.093 8.143
178 HG SER 26 HG SER 26 0.153 -19.358 8.371
179 H GLY 27 H GLY 27 -1.938 -15.067 6.866
180 1HA GLY 27 1HA GLY 27 -2.276 -12.805 8.482
181 2HA GLY 27 2HA GLY 27 -0.547 -13.156 8.521
182 H THR 28 H THR 28 -1.038 -10.812 7.411
183 HA THR 28 HA THR 28 -1.574 -11.010 4.527
184 HB THR 28 HB THR 28 -0.652 -8.771 6.359
185 HG1 THR 28 HG1 THR 28 -2.693 -8.541 6.746
186 1HG2 THR 28 1HG2 THR 28 -0.793 -8.945 3.480
187 2HG2 THR 28 2HG2 THR 28 -0.253 -7.598 4.484
188 3HG2 THR 28 3HG2 THR 28 -1.960 -7.763 4.071
189 H TYR 29 H TYR 29 0.031 -11.715 3.167
190 HA TYR 29 HA TYR 29 2.873 -11.092 3.897
191 1HB TYR 29 1HB TYR 29 3.424 -13.134 2.693
192 2HB TYR 29 2HB TYR 29 2.130 -13.494 3.835
193 HD1 TYR 29 HD1 TYR 29 -0.228 -13.693 3.035
194 HD2 TYR 29 HD2 TYR 29 3.074 -13.269 0.322
195 HE1 TYR 29 HE1 TYR 29 -1.659 -14.483 1.170
196 HE2 TYR 29 HE2 TYR 29 1.643 -14.057 -1.545
197 HH TYR 29 HH TYR 29 -0.330 -15.186 -1.994
198 H TYR 30 H TYR 30 3.823 -11.835 1.250
199 HA TYR 30 HA TYR 30 2.636 -9.659 -0.434
200 1HB TYR 30 1HB TYR 30 5.528 -10.264 0.240
201 2HB TYR 30 2HB TYR 30 5.049 -9.163 -1.052
202 HD1 TYR 30 HD1 TYR 30 4.071 -7.000 -0.574
203 HD2 TYR 30 HD2 TYR 30 5.033 -9.729 2.600
204 HE1 TYR 30 HE1 TYR 30 3.765 -5.180 1.084
205 HE2 TYR 30 HE2 TYR 30 4.727 -7.910 4.257
206 HH TYR 30 HH TYR 30 3.879 -5.819 4.553
207 H TRP 31 H TRP 31 2.534 -10.137 -2.636
208 HA TRP 31 HA TRP 31 3.409 -12.890 -3.438
209 1HB TRP 31 1HB TRP 31 1.068 -12.747 -3.582
210 2HB TRP 31 2HB TRP 31 1.107 -11.071 -4.106
211 HD1 TRP 31 HD1 TRP 31 3.346 -13.653 -5.777
212 HE1 TRP 31 HE1 TRP 31 2.563 -13.985 -8.212
213 HE3 TRP 31 HE3 TRP 31 -0.976 -10.941 -5.688
214 HZ2 TRP 31 HZ2 TRP 31 0.386 -13.201 -9.899
215 HZ3 TRP 31 HZ3 TRP 31 -2.385 -10.749 -7.717
216 HH2 TRP 31 HH2 TRP 31 -1.711 -11.874 -9.820
217 H HIS 32 H HIS 32 4.953 -13.001 -5.029
218 HA HIS 32 HA HIS 32 5.951 -10.503 -6.229
219 1HB HIS 32 1HB HIS 32 7.227 -12.562 -5.249
220 2HB HIS 32 2HB HIS 32 6.901 -13.304 -6.813
221 HD1 HIS 32 HD1 HIS 32 7.546 -9.613 -6.523
222 HD2 HIS 32 HD2 HIS 32 9.605 -13.050 -7.668
223 HE1 HIS 32 HE1 HIS 32 9.684 -8.830 -7.627
224 H ILE 33 H ILE 33 4.500 -9.840 -7.812
225 HA ILE 33 HA ILE 33 2.969 -11.400 -9.577
226 HB ILE 33 HB ILE 33 4.206 -8.647 -9.737
227 1HG1 ILE 33 1HG1 ILE 33 1.382 -9.620 -9.184
228 2HG1 ILE 33 2HG1 ILE 33 2.531 -9.099 -7.952
229 1HG2 ILE 33 1HG2 ILE 33 2.631 -8.185 -11.568
230 2HG2 ILE 33 2HG2 ILE 33 2.076 -9.859 -11.528
231 3HG2 ILE 33 3HG2 ILE 33 3.728 -9.489 -12.022
232 1HD1 ILE 33 1HD1 ILE 33 1.046 -7.242 -8.486
233 2HD1 ILE 33 2HD1 ILE 33 1.414 -7.403 -10.204
234 3HD1 ILE 33 3HD1 ILE 33 2.665 -6.874 -9.080
235 HA PRO 34 HA PRO 34 6.521 -10.967 -12.796
236 1HB PRO 34 1HB PRO 34 9.067 -10.727 -11.815
237 2HB PRO 34 2HB PRO 34 8.047 -9.339 -12.243
238 1HG PRO 34 1HG PRO 34 8.609 -10.520 -9.573
239 2HG PRO 34 2HG PRO 34 8.467 -8.821 -10.045
240 1HD PRO 34 1HD PRO 34 6.494 -10.173 -8.785
241 2HD PRO 34 2HD PRO 34 6.175 -8.838 -9.909
242 H THR 35 H THR 35 8.330 -12.312 -9.988
243 HA THR 35 HA THR 35 8.759 -14.808 -11.488
244 HB THR 35 HB THR 35 9.547 -14.644 -8.670
245 HG1 THR 35 HG1 THR 35 10.860 -12.904 -10.427
246 1HG2 THR 35 1HG2 THR 35 10.867 -15.178 -11.325
247 2HG2 THR 35 2HG2 THR 35 10.586 -16.304 -9.996
248 3HG2 THR 35 3HG2 THR 35 11.807 -15.041 -9.838
249 H GLY 36 H GLY 36 6.957 -13.755 -8.607
250 1HA GLY 36 1HA GLY 36 4.810 -14.844 -8.092
251 2HA GLY 36 2HA GLY 36 5.471 -16.340 -8.748
252 H THR 37 H THR 37 7.944 -14.990 -7.039
253 HA THR 37 HA THR 37 7.903 -16.947 -4.957
254 HB THR 37 HB THR 37 9.280 -14.332 -4.559
255 HG1 THR 37 HG1 THR 37 10.232 -16.114 -6.509
256 1HG2 THR 37 1HG2 THR 37 9.538 -16.720 -3.386
257 2HG2 THR 37 2HG2 THR 37 10.911 -15.636 -3.604
258 3HG2 THR 37 3HG2 THR 37 10.652 -16.968 -4.730
259 H THR 38 H THR 38 7.363 -16.716 -2.723
260 HA THR 38 HA THR 38 5.593 -14.372 -2.099
261 HB THR 38 HB THR 38 4.852 -16.467 -0.436
262 HG1 THR 38 HG1 THR 38 5.104 -17.568 -3.007
263 1HG2 THR 38 1HG2 THR 38 3.337 -14.961 -1.639
264 2HG2 THR 38 2HG2 THR 38 2.896 -16.640 -1.949
265 3HG2 THR 38 3HG2 THR 38 3.777 -15.720 -3.169
266 H GLN 39 H GLN 39 5.730 -13.559 0.074
267 HA GLN 39 HA GLN 39 7.910 -14.661 1.791
268 1HB GLN 39 1HB GLN 39 7.591 -11.779 0.883
269 2HB GLN 39 2HB GLN 39 8.813 -12.362 2.014
270 1HG GLN 39 1HG GLN 39 9.176 -14.085 -0.074
271 2HG GLN 39 2HG GLN 39 8.700 -12.615 -0.925
272 1HE2 GLN 39 1HE2 GLN 39 11.229 -14.090 1.015
273 2HE2 GLN 39 2HE2 GLN 39 12.330 -12.802 0.903
274 H TRP 40 H TRP 40 7.554 -11.999 3.319
275 HA TRP 40 HA TRP 40 4.791 -12.290 4.360
276 1HB TRP 40 1HB TRP 40 7.355 -12.910 5.841
277 2HB TRP 40 2HB TRP 40 5.854 -12.540 6.690
278 HD1 TRP 40 HD1 TRP 40 7.612 -15.259 4.787
279 HE1 TRP 40 HE1 TRP 40 6.136 -17.372 4.729
280 HE3 TRP 40 HE3 TRP 40 3.251 -13.339 6.624
281 HZ2 TRP 40 HZ2 TRP 40 3.459 -18.145 5.376
282 HZ3 TRP 40 HZ3 TRP 40 1.256 -14.784 6.893
283 HH2 TRP 40 HH2 TRP 40 1.354 -17.182 6.272
284 H GLU 41 H GLU 41 7.963 -10.688 4.644
285 HA GLU 41 HA GLU 41 6.609 -8.238 5.689
286 1HB GLU 41 1HB GLU 41 9.391 -9.386 5.705
287 2HB GLU 41 2HB GLU 41 9.155 -7.664 5.994
288 1HG GLU 41 1HG GLU 41 7.241 -9.170 7.535
289 2HG GLU 41 2HG GLU 41 8.868 -9.770 7.862
290 HA PRO 42 HA PRO 42 7.271 -6.018 1.964
291 1HB PRO 42 1HB PRO 42 8.212 -3.599 2.838
292 2HB PRO 42 2HB PRO 42 6.524 -4.111 3.040
293 1HG PRO 42 1HG PRO 42 8.756 -4.129 5.011
294 2HG PRO 42 2HG PRO 42 7.048 -3.723 5.243
295 1HD PRO 42 1HD PRO 42 8.127 -6.115 5.967
296 2HD PRO 42 2HD PRO 42 6.425 -5.913 5.496
297 HA PRO 43 HA PRO 43 11.587 -6.798 1.165
298 1HB PRO 43 1HB PRO 43 11.484 -6.350 -1.533
299 2HB PRO 43 2HB PRO 43 10.896 -7.846 -0.779
300 1HG PRO 43 1HG PRO 43 9.366 -5.490 -1.753
301 2HG PRO 43 2HG PRO 43 8.959 -7.211 -1.827
302 1HD PRO 43 1HD PRO 43 7.898 -5.467 -0.002
303 2HD PRO 43 2HD PRO 43 8.052 -7.217 0.268
304 H GLY 44 H GLY 44 13.442 -5.486 0.563
305 1HA GLY 44 1HA GLY 44 14.132 -3.293 -0.549
306 2HA GLY 44 2HA GLY 44 12.815 -2.567 0.375
307 H ARG 45 H ARG 45 15.414 -1.614 0.694
308 HA ARG 45 HA ARG 45 15.774 -1.825 3.548
309 1HB ARG 45 1HB ARG 45 16.557 -4.075 2.651
310 2HB ARG 45 2HB ARG 45 17.864 -3.208 1.843
311 1HG ARG 45 1HG ARG 45 18.947 -2.715 3.816
312 2HG ARG 45 2HG ARG 45 17.449 -2.663 4.747
313 1HD ARG 45 1HD ARG 45 17.307 -5.067 4.818
314 2HD ARG 45 2HD ARG 45 18.615 -5.235 3.629
315 HE ARG 45 HE ARG 45 19.260 -3.747 6.106
316 1HH1 ARG 45 1HH1 ARG 45 18.917 -6.913 4.916
317 2HH1 ARG 45 2HH1 ARG 45 20.459 -7.460 5.486
318 1HH2 ARG 45 1HH2 ARG 45 21.475 -4.323 6.555
319 2HH2 ARG 45 2HH2 ARG 45 21.907 -5.994 6.413
320 H ALA 46 H ALA 46 15.610 0.506 2.470
321 HA ALA 46 HA ALA 46 18.410 1.516 2.221
322 1HB ALA 46 1HB ALA 46 17.319 1.121 -0.019
323 2HB ALA 46 2HB ALA 46 17.771 2.802 0.261
324 3HB ALA 46 3HB ALA 46 16.089 2.301 0.432
325 H SER 47 H SER 47 18.609 3.001 3.848
326 HA SER 47 HA SER 47 16.735 5.218 4.107
327 1HB SER 47 1HB SER 47 15.614 3.197 5.184
328 2HB SER 47 2HB SER 47 16.902 3.224 6.384
329 HG SER 47 HG SER 47 14.948 4.424 6.930
330 HA PRO 48 HA PRO 48 20.864 6.312 5.578
331 1HB PRO 48 1HB PRO 48 20.593 8.982 5.043
332 2HB PRO 48 2HB PRO 48 21.026 7.788 3.803
333 1HG PRO 48 1HG PRO 48 18.401 9.068 4.362
334 2HG PRO 48 2HG PRO 48 19.143 8.641 2.812
335 1HD PRO 48 1HD PRO 48 17.179 7.168 4.021
336 2HD PRO 48 2HD PRO 48 18.373 6.491 2.892
337 H SER 49 H SER 49 20.238 5.865 7.805
338 HA SER 49 HA SER 49 18.674 7.915 9.260
339 1HB SER 49 1HB SER 49 19.233 5.128 9.447
340 2HB SER 49 2HB SER 49 19.848 5.881 10.915
341 HG SER 49 HG SER 49 17.346 5.322 10.296
342 H GLN 50 H GLN 50 19.785 8.191 11.651
343 HA GLN 50 HA GLN 50 21.494 9.315 12.834
344 1HB GLN 50 1HB GLN 50 23.185 7.764 10.845
345 2HB GLN 50 2HB GLN 50 23.730 8.400 12.398
346 1HG GLN 50 1HG GLN 50 22.306 6.910 13.613
347 2HG GLN 50 2HG GLN 50 21.432 6.448 12.153
348 1HE2 GLN 50 1HE2 GLN 50 23.389 5.820 10.337
349 2HE2 GLN 50 2HE2 GLN 50 24.394 4.584 10.924
Start of MODEL 16
1 H ASP 1 H ASP 1 -19.640 -4.013 10.346
2 HA ASP 1 HA ASP 1 -17.518 -2.821 9.406
3 1HB ASP 1 1HB ASP 1 -17.897 -4.407 7.396
4 2HB ASP 1 2HB ASP 1 -17.993 -5.116 9.008
5 H SER 2 H SER 2 -17.807 -0.556 8.877
6 HA SER 2 HA SER 2 -18.589 -0.105 6.067
7 1HB SER 2 1HB SER 2 -20.277 1.565 6.672
8 2HB SER 2 2HB SER 2 -20.680 0.024 7.422
9 HG SER 2 HG SER 2 -19.654 2.379 8.560
10 H PHE 3 H PHE 3 -17.517 1.293 9.150
11 HA PHE 3 HA PHE 3 -16.451 3.732 8.061
12 1HB PHE 3 1HB PHE 3 -15.531 3.980 10.256
13 2HB PHE 3 2HB PHE 3 -17.035 3.086 10.473
14 HD1 PHE 3 HD1 PHE 3 -13.381 2.937 10.622
15 HD2 PHE 3 HD2 PHE 3 -17.005 0.648 10.905
16 HE1 PHE 3 HE1 PHE 3 -12.123 1.072 11.667
17 HE2 PHE 3 HE2 PHE 3 -15.747 -1.216 11.951
18 HZ PHE 3 HZ PHE 3 -13.306 -1.003 12.331
19 H TRP 4 H TRP 4 -14.938 0.576 8.806
20 HA TRP 4 HA TRP 4 -12.265 1.275 8.132
21 1HB TRP 4 1HB TRP 4 -11.929 -1.102 8.139
22 2HB TRP 4 2HB TRP 4 -13.203 -0.784 9.315
23 HD1 TRP 4 HD1 TRP 4 -15.793 -1.054 8.305
24 HE1 TRP 4 HE1 TRP 4 -16.687 -2.845 6.681
25 HE3 TRP 4 HE3 TRP 4 -11.399 -2.659 6.256
26 HZ2 TRP 4 HZ2 TRP 4 -15.671 -4.712 4.765
27 HZ3 TRP 4 HZ3 TRP 4 -11.390 -4.441 4.536
28 HH2 TRP 4 HH2 TRP 4 -13.520 -5.469 3.787
29 H ASN 5 H ASN 5 -15.044 0.640 6.122
30 HA ASN 5 HA ASN 5 -13.284 0.846 3.700
31 1HB ASN 5 1HB ASN 5 -14.160 -1.454 4.161
32 2HB ASN 5 2HB ASN 5 -15.801 -0.813 4.065
33 1HD2 ASN 5 1HD2 ASN 5 -16.691 -1.252 2.050
34 2HD2 ASN 5 2HD2 ASN 5 -15.846 -1.216 0.578
35 HA PRO 6 HA PRO 6 -16.606 4.078 3.705
36 1HB PRO 6 1HB PRO 6 -14.943 6.202 3.252
37 2HB PRO 6 2HB PRO 6 -15.318 5.599 4.879
38 1HG PRO 6 1HG PRO 6 -12.892 5.182 3.220
39 2HG PRO 6 2HG PRO 6 -13.043 5.375 4.972
40 1HD PRO 6 1HD PRO 6 -12.676 2.965 3.696
41 2HD PRO 6 2HD PRO 6 -13.398 3.150 5.308
42 H ASN 7 H ASN 7 -14.025 5.416 1.749
43 HA ASN 7 HA ASN 7 -15.615 5.485 -0.642
44 1HB ASN 7 1HB ASN 7 -13.484 6.267 -1.624
45 2HB ASN 7 2HB ASN 7 -13.770 7.031 -0.060
46 1HD2 ASN 7 1HD2 ASN 7 -12.307 6.552 1.664
47 2HD2 ASN 7 2HD2 ASN 7 -10.941 5.564 1.470
48 H ALA 8 H ALA 8 -13.374 3.126 0.683
49 HA ALA 8 HA ALA 8 -12.785 0.966 -0.074
50 1HB ALA 8 1HB ALA 8 -15.065 1.253 -2.026
51 2HB ALA 8 2HB ALA 8 -15.382 1.143 -0.294
52 3HB ALA 8 3HB ALA 8 -14.559 -0.177 -1.126
53 H PHE 9 H PHE 9 -10.875 2.169 -1.081
54 HA PHE 9 HA PHE 9 -10.541 1.363 -3.846
55 1HB PHE 9 1HB PHE 9 -11.860 3.802 -3.356
56 2HB PHE 9 2HB PHE 9 -10.221 4.248 -3.827
57 HD1 PHE 9 HD1 PHE 9 -13.417 3.001 -4.956
58 HD2 PHE 9 HD2 PHE 9 -9.250 3.265 -5.966
59 HE1 PHE 9 HE1 PHE 9 -13.958 2.497 -7.323
60 HE2 PHE 9 HE2 PHE 9 -9.792 2.761 -8.333
61 HZ PHE 9 HZ PHE 9 -12.147 2.377 -9.011
62 H GLU 10 H GLU 10 -8.999 0.815 -1.601
63 HA GLU 10 HA GLU 10 -6.647 2.653 -1.777
64 1HB GLU 10 1HB GLU 10 -7.932 0.938 0.260
65 2HB GLU 10 2HB GLU 10 -6.168 0.894 0.269
66 1HG GLU 10 1HG GLU 10 -6.812 2.689 1.726
67 2HG GLU 10 2HG GLU 10 -6.213 3.433 0.244
68 H THR 11 H THR 11 -4.549 1.738 -2.173
69 HA THR 11 HA THR 11 -4.627 -0.961 -3.480
70 HB THR 11 HB THR 11 -2.484 1.098 -3.911
71 HG1 THR 11 HG1 THR 11 -4.322 2.305 -4.143
72 1HG2 THR 11 1HG2 THR 11 -1.964 -0.629 -5.297
73 2HG2 THR 11 2HG2 THR 11 -3.215 0.063 -6.330
74 3HG2 THR 11 3HG2 THR 11 -3.603 -1.279 -5.256
75 H ASP 12 H ASP 12 -1.956 -1.540 -3.565
76 HA ASP 12 HA ASP 12 -1.331 -2.642 -1.055
77 1HB ASP 12 1HB ASP 12 0.893 -2.942 -2.048
78 2HB ASP 12 2HB ASP 12 -0.343 -3.199 -3.279
79 H SER 13 H SER 13 -0.181 -1.882 0.741
80 HA SER 13 HA SER 13 -0.213 0.750 1.577
81 1HB SER 13 1HB SER 13 2.057 -0.118 2.747
82 2HB SER 13 2HB SER 13 0.469 -0.718 3.216
83 HG SER 13 HG SER 13 2.356 -2.207 2.492
84 H ASP 14 H ASP 14 3.022 -0.475 0.896
85 HA ASP 14 HA ASP 14 3.506 1.595 -1.167
86 1HB ASP 14 1HB ASP 14 4.475 1.632 1.675
87 2HB ASP 14 2HB ASP 14 5.512 2.298 0.414
88 H LEU 15 H LEU 15 3.668 -0.998 -1.799
89 HA LEU 15 HA LEU 15 6.369 -2.068 -1.255
90 1HB LEU 15 1HB LEU 15 3.908 -2.992 -2.760
91 2HB LEU 15 2HB LEU 15 5.406 -3.920 -2.744
92 HG LEU 15 HG LEU 15 3.982 -4.766 -0.976
93 1HD1 LEU 15 1HD1 LEU 15 5.749 -3.109 0.713
94 2HD1 LEU 15 2HD1 LEU 15 6.563 -3.931 -0.618
95 3HD1 LEU 15 3HD1 LEU 15 5.651 -4.863 0.569
96 1HD2 LEU 15 1HD2 LEU 15 2.722 -2.496 -0.853
97 2HD2 LEU 15 2HD2 LEU 15 3.975 -2.031 0.298
98 3HD2 LEU 15 3HD2 LEU 15 2.927 -3.407 0.643
99 HA PRO 16 HA PRO 16 8.209 -0.701 -4.995
100 1HB PRO 16 1HB PRO 16 9.623 -2.903 -5.801
101 2HB PRO 16 2HB PRO 16 10.101 -1.900 -4.415
102 1HG PRO 16 1HG PRO 16 8.679 -4.514 -4.457
103 2HG PRO 16 2HG PRO 16 9.925 -3.925 -3.346
104 1HD PRO 16 1HD PRO 16 7.272 -3.981 -2.729
105 2HD PRO 16 2HD PRO 16 8.413 -2.805 -2.038
106 H ALA 17 H ALA 17 8.784 -2.173 -7.335
107 HA ALA 17 HA ALA 17 6.048 -2.500 -8.434
108 1HB ALA 17 1HB ALA 17 8.699 -2.599 -9.885
109 2HB ALA 17 2HB ALA 17 7.962 -1.073 -9.394
110 3HB ALA 17 3HB ALA 17 7.124 -2.131 -10.528
111 H GLY 18 H GLY 18 5.234 -4.473 -9.058
112 1HA GLY 18 1HA GLY 18 5.338 -6.727 -9.856
113 2HA GLY 18 2HA GLY 18 7.060 -6.757 -9.492
114 H TRP 19 H TRP 19 5.339 -5.429 -6.906
115 HA TRP 19 HA TRP 19 5.290 -8.093 -5.530
116 1HB TRP 19 1HB TRP 19 6.260 -5.352 -4.782
117 2HB TRP 19 2HB TRP 19 5.698 -6.434 -3.509
118 HD1 TRP 19 HD1 TRP 19 8.579 -5.798 -5.808
119 HE1 TRP 19 HE1 TRP 19 10.410 -7.574 -5.439
120 HE3 TRP 19 HE3 TRP 19 6.029 -9.094 -2.853
121 HZ2 TRP 19 HZ2 TRP 19 10.748 -10.063 -4.075
122 HZ3 TRP 19 HZ3 TRP 19 7.130 -11.160 -2.037
123 HH2 TRP 19 HH2 TRP 19 9.484 -11.647 -2.643
124 H MET 20 H MET 20 3.389 -8.566 -4.395
125 HA MET 20 HA MET 20 1.257 -6.457 -4.449
126 1HB MET 20 1HB MET 20 0.911 -8.331 -5.993
127 2HB MET 20 2HB MET 20 1.074 -9.471 -4.672
128 1HG MET 20 1HG MET 20 -0.949 -8.777 -3.678
129 2HG MET 20 2HG MET 20 -0.985 -7.275 -4.602
130 1HE MET 20 1HE MET 20 -3.408 -7.779 -4.914
131 2HE MET 20 2HE MET 20 -3.915 -8.386 -6.488
132 3HE MET 20 3HE MET 20 -2.777 -7.045 -6.395
133 H ARG 21 H ARG 21 -0.470 -6.913 -2.822
134 HA ARG 21 HA ARG 21 0.687 -7.931 -0.243
135 1HB ARG 21 1HB ARG 21 0.321 -5.387 -0.654
136 2HB ARG 21 2HB ARG 21 -1.396 -5.760 -0.494
137 1HG ARG 21 1HG ARG 21 -1.226 -6.240 1.746
138 2HG ARG 21 2HG ARG 21 0.412 -6.876 1.591
139 1HD ARG 21 1HD ARG 21 1.154 -4.453 1.150
140 2HD ARG 21 2HD ARG 21 -0.452 -3.978 1.740
141 HE ARG 21 HE ARG 21 1.426 -5.658 3.363
142 1HH1 ARG 21 1HH1 ARG 21 -1.637 -4.950 3.823
143 2HH1 ARG 21 2HH1 ARG 21 -1.457 -3.826 5.129
144 1HH2 ARG 21 1HH2 ARG 21 1.962 -3.456 4.690
145 2HH2 ARG 21 2HH2 ARG 21 0.580 -2.981 5.620
146 H VAL 22 H VAL 22 -0.384 -9.849 0.181
147 HA VAL 22 HA VAL 22 -3.313 -9.973 -0.462
148 HB VAL 22 HB VAL 22 -1.265 -12.181 -0.129
149 1HG1 VAL 22 1HG1 VAL 22 -3.370 -13.142 0.295
150 2HG1 VAL 22 2HG1 VAL 22 -3.142 -13.419 -1.431
151 3HG1 VAL 22 3HG1 VAL 22 -4.180 -12.104 -0.878
152 1HG2 VAL 22 1HG2 VAL 22 -2.262 -10.635 -2.507
153 2HG2 VAL 22 2HG2 VAL 22 -1.773 -12.319 -2.703
154 3HG2 VAL 22 3HG2 VAL 22 -0.613 -11.126 -2.116
155 H GLN 23 H GLN 23 -4.524 -11.473 1.061
156 HA GLN 23 HA GLN 23 -3.509 -11.176 3.870
157 1HB GLN 23 1HB GLN 23 -6.055 -10.540 2.494
158 2HB GLN 23 2HB GLN 23 -6.230 -11.306 4.074
159 1HG GLN 23 1HG GLN 23 -4.179 -9.364 4.336
160 2HG GLN 23 2HG GLN 23 -5.508 -8.587 3.473
161 1HE2 GLN 23 1HE2 GLN 23 -5.392 -7.449 5.817
162 2HE2 GLN 23 2HE2 GLN 23 -6.449 -8.110 6.970
163 H ASP 24 H ASP 24 -2.640 -13.340 3.923
164 HA ASP 24 HA ASP 24 -4.376 -15.616 3.230
165 1HB ASP 24 1HB ASP 24 -1.609 -15.031 3.507
166 2HB ASP 24 2HB ASP 24 -1.991 -16.322 4.641
167 H THR 25 H THR 25 -4.780 -17.342 4.869
168 HA THR 25 HA THR 25 -6.076 -16.422 7.209
169 HB THR 25 HB THR 25 -6.089 -18.818 7.786
170 HG1 THR 25 HG1 THR 25 -4.834 -20.151 6.228
171 1HG2 THR 25 1HG2 THR 25 -7.488 -19.301 6.072
172 2HG2 THR 25 2HG2 THR 25 -6.223 -19.080 4.863
173 3HG2 THR 25 3HG2 THR 25 -7.098 -17.683 5.490
174 H SER 26 H SER 26 -2.699 -17.260 6.662
175 HA SER 26 HA SER 26 -2.010 -17.371 9.504
176 1HB SER 26 1HB SER 26 -0.132 -18.287 8.622
177 2HB SER 26 2HB SER 26 -0.930 -18.169 7.058
178 HG SER 26 HG SER 26 0.931 -16.435 8.270
179 H GLY 27 H GLY 27 -2.151 -14.909 7.010
180 1HA GLY 27 1HA GLY 27 -2.258 -12.658 8.543
181 2HA GLY 27 2HA GLY 27 -0.527 -12.998 8.538
182 H THR 28 H THR 28 -1.189 -10.658 7.407
183 HA THR 28 HA THR 28 -1.770 -10.891 4.551
184 HB THR 28 HB THR 28 -0.641 -8.590 6.177
185 HG1 THR 28 HG1 THR 28 -2.492 -8.890 7.161
186 1HG2 THR 28 1HG2 THR 28 -2.250 -8.667 3.609
187 2HG2 THR 28 2HG2 THR 28 -0.529 -8.303 3.729
188 3HG2 THR 28 3HG2 THR 28 -1.713 -7.209 4.443
189 H TYR 29 H TYR 29 -0.225 -11.660 3.157
190 HA TYR 29 HA TYR 29 2.648 -11.053 3.767
191 1HB TYR 29 1HB TYR 29 3.131 -13.133 2.607
192 2HB TYR 29 2HB TYR 29 1.868 -13.444 3.793
193 HD1 TYR 29 HD1 TYR 29 2.738 -13.396 0.268
194 HD2 TYR 29 HD2 TYR 29 -0.532 -13.575 3.046
195 HE1 TYR 29 HE1 TYR 29 1.252 -14.232 -1.534
196 HE2 TYR 29 HE2 TYR 29 -2.018 -14.410 1.243
197 HH TYR 29 HH TYR 29 -0.767 -14.992 -2.045
198 H TYR 30 H TYR 30 3.510 -11.860 1.115
199 HA TYR 30 HA TYR 30 2.248 -9.764 -0.613
200 1HB TYR 30 1HB TYR 30 5.208 -10.219 -0.110
201 2HB TYR 30 2HB TYR 30 4.523 -8.996 -1.180
202 HD1 TYR 30 HD1 TYR 30 3.366 -7.036 -0.289
203 HD2 TYR 30 HD2 TYR 30 5.029 -10.015 2.321
204 HE1 TYR 30 HE1 TYR 30 3.116 -5.491 1.634
205 HE2 TYR 30 HE2 TYR 30 4.779 -8.469 4.244
206 HH TYR 30 HH TYR 30 4.619 -6.014 4.619
207 H TRP 31 H TRP 31 2.443 -10.187 -2.881
208 HA TRP 31 HA TRP 31 3.377 -12.958 -3.560
209 1HB TRP 31 1HB TRP 31 1.013 -12.885 -3.711
210 2HB TRP 31 2HB TRP 31 1.020 -11.278 -4.416
211 HD1 TRP 31 HD1 TRP 31 3.480 -13.808 -5.761
212 HE1 TRP 31 HE1 TRP 31 2.785 -14.483 -8.151
213 HE3 TRP 31 HE3 TRP 31 -1.112 -11.590 -6.002
214 HZ2 TRP 31 HZ2 TRP 31 0.573 -14.125 -9.930
215 HZ3 TRP 31 HZ3 TRP 31 -2.491 -11.773 -8.052
216 HH2 TRP 31 HH2 TRP 31 -1.656 -13.038 -10.015
217 H HIS 32 H HIS 32 5.076 -12.938 -4.953
218 HA HIS 32 HA HIS 32 5.939 -10.479 -6.263
219 1HB HIS 32 1HB HIS 32 7.264 -12.485 -5.208
220 2HB HIS 32 2HB HIS 32 7.037 -13.234 -6.786
221 HD1 HIS 32 HD1 HIS 32 7.495 -9.515 -6.456
222 HD2 HIS 32 HD2 HIS 32 9.760 -12.845 -7.529
223 HE1 HIS 32 HE1 HIS 32 9.633 -8.627 -7.479
224 H ILE 33 H ILE 33 4.558 -9.885 -7.895
225 HA ILE 33 HA ILE 33 3.137 -11.579 -9.669
226 HB ILE 33 HB ILE 33 4.102 -8.717 -9.744
227 1HG1 ILE 33 1HG1 ILE 33 1.450 -10.085 -9.178
228 2HG1 ILE 33 2HG1 ILE 33 2.462 -9.220 -8.021
229 1HG2 ILE 33 1HG2 ILE 33 2.937 -10.335 -11.880
230 2HG2 ILE 33 2HG2 ILE 33 3.605 -8.703 -11.950
231 3HG2 ILE 33 3HG2 ILE 33 1.924 -8.950 -11.476
232 1HD1 ILE 33 1HD1 ILE 33 0.904 -7.579 -8.552
233 2HD1 ILE 33 2HD1 ILE 33 0.742 -8.129 -10.221
234 3HD1 ILE 33 3HD1 ILE 33 2.173 -7.225 -9.724
235 HA PRO 34 HA PRO 34 6.711 -10.810 -12.788
236 1HB PRO 34 1HB PRO 34 9.219 -10.461 -11.743
237 2HB PRO 34 2HB PRO 34 8.131 -9.117 -12.146
238 1HG PRO 34 1HG PRO 34 8.729 -10.341 -9.504
239 2HG PRO 34 2HG PRO 34 8.460 -8.644 -9.928
240 1HD PRO 34 1HD PRO 34 6.588 -10.217 -8.746
241 2HD PRO 34 2HD PRO 34 6.184 -8.833 -9.779
242 H THR 35 H THR 35 8.288 -12.205 -9.860
243 HA THR 35 HA THR 35 8.995 -14.609 -11.440
244 HB THR 35 HB THR 35 9.610 -14.444 -8.569
245 HG1 THR 35 HG1 THR 35 10.356 -12.470 -10.434
246 1HG2 THR 35 1HG2 THR 35 11.156 -14.913 -11.121
247 2HG2 THR 35 2HG2 THR 35 10.702 -16.106 -9.905
248 3HG2 THR 35 3HG2 THR 35 11.916 -14.882 -9.529
249 H GLY 36 H GLY 36 7.081 -13.756 -8.556
250 1HA GLY 36 1HA GLY 36 4.926 -14.930 -8.214
251 2HA GLY 36 2HA GLY 36 5.687 -16.383 -8.858
252 H THR 37 H THR 37 8.039 -15.039 -7.031
253 HA THR 37 HA THR 37 7.886 -17.000 -4.945
254 HB THR 37 HB THR 37 9.339 -14.421 -4.563
255 HG1 THR 37 HG1 THR 37 10.110 -16.323 -6.510
256 1HG2 THR 37 1HG2 THR 37 10.756 -15.726 -3.383
257 2HG2 THR 37 2HG2 THR 37 10.773 -16.981 -4.621
258 3HG2 THR 37 3HG2 THR 37 9.462 -16.923 -3.442
259 H THR 38 H THR 38 7.320 -16.710 -2.716
260 HA THR 38 HA THR 38 5.608 -14.303 -2.163
261 HB THR 38 HB THR 38 4.623 -16.159 -0.496
262 HG1 THR 38 HG1 THR 38 5.364 -18.051 -0.943
263 1HG2 THR 38 1HG2 THR 38 2.823 -16.109 -1.886
264 2HG2 THR 38 2HG2 THR 38 3.762 -16.653 -3.277
265 3HG2 THR 38 3HG2 THR 38 3.791 -14.954 -2.803
266 H GLN 39 H GLN 39 5.797 -13.401 -0.041
267 HA GLN 39 HA GLN 39 7.899 -14.554 1.743
268 1HB GLN 39 1HB GLN 39 7.732 -11.684 0.757
269 2HB GLN 39 2HB GLN 39 8.932 -12.314 1.887
270 1HG GLN 39 1HG GLN 39 9.317 -14.081 -0.073
271 2HG GLN 39 2HG GLN 39 8.681 -12.763 -1.057
272 1HE2 GLN 39 1HE2 GLN 39 11.562 -13.995 0.039
273 2HE2 GLN 39 2HE2 GLN 39 12.488 -12.574 0.062
274 H TRP 40 H TRP 40 7.926 -12.619 3.682
275 HA TRP 40 HA TRP 40 5.063 -12.166 4.432
276 1HB TRP 40 1HB TRP 40 7.280 -13.437 6.069
277 2HB TRP 40 2HB TRP 40 5.692 -13.011 6.708
278 HD1 TRP 40 HD1 TRP 40 7.462 -15.527 4.492
279 HE1 TRP 40 HE1 TRP 40 5.832 -17.438 3.913
280 HE3 TRP 40 HE3 TRP 40 3.121 -13.581 6.354
281 HZ2 TRP 40 HZ2 TRP 40 3.055 -18.059 4.201
282 HZ3 TRP 40 HZ3 TRP 40 1.001 -14.853 6.188
283 HH2 TRP 40 HH2 TRP 40 0.962 -17.088 5.115
284 H GLU 41 H GLU 41 8.011 -10.782 3.894
285 HA GLU 41 HA GLU 41 7.541 -8.648 5.952
286 1HB GLU 41 1HB GLU 41 10.173 -9.503 4.712
287 2HB GLU 41 2HB GLU 41 9.945 -8.446 6.105
288 1HG GLU 41 1HG GLU 41 8.636 -10.560 7.053
289 2HG GLU 41 2HG GLU 41 9.680 -11.418 5.919
290 HA PRO 42 HA PRO 42 7.415 -5.765 2.647
291 1HB PRO 42 1HB PRO 42 8.746 -3.617 3.698
292 2HB PRO 42 2HB PRO 42 7.121 -4.099 4.224
293 1HG PRO 42 1HG PRO 42 9.752 -4.594 5.520
294 2HG PRO 42 2HG PRO 42 8.189 -4.201 6.253
295 1HD PRO 42 1HD PRO 42 9.231 -6.721 6.188
296 2HD PRO 42 2HD PRO 42 7.489 -6.379 6.241
297 HA PRO 43 HA PRO 43 11.434 -6.696 0.836
298 1HB PRO 43 1HB PRO 43 10.607 -6.394 -1.754
299 2HB PRO 43 2HB PRO 43 10.314 -7.869 -0.812
300 1HG PRO 43 1HG PRO 43 8.465 -5.623 -1.436
301 2HG PRO 43 2HG PRO 43 8.141 -7.361 -1.342
302 1HD PRO 43 1HD PRO 43 7.500 -5.586 0.636
303 2HD PRO 43 2HD PRO 43 7.826 -7.310 0.921
304 H GLY 44 H GLY 44 13.022 -5.341 -0.179
305 1HA GLY 44 1HA GLY 44 13.030 -3.095 -1.600
306 2HA GLY 44 2HA GLY 44 12.347 -2.453 -0.105
307 H ARG 45 H ARG 45 14.269 -1.106 0.114
308 HA ARG 45 HA ARG 45 16.584 -2.635 1.243
309 1HB ARG 45 1HB ARG 45 16.794 -1.718 -1.171
310 2HB ARG 45 2HB ARG 45 16.852 -0.125 -0.415
311 1HG ARG 45 1HG ARG 45 18.842 -0.645 0.780
312 2HG ARG 45 2HG ARG 45 18.673 -2.372 0.459
313 1HD ARG 45 1HD ARG 45 18.930 -1.825 -2.019
314 2HD ARG 45 2HD ARG 45 19.407 -0.191 -1.515
315 HE ARG 45 HE ARG 45 20.838 -2.665 -0.610
316 1HH1 ARG 45 1HH1 ARG 45 21.600 -0.552 -2.849
317 2HH1 ARG 45 2HH1 ARG 45 22.881 0.267 -2.020
318 1HH2 ARG 45 1HH2 ARG 45 22.102 -1.083 1.077
319 2HH2 ARG 45 2HH2 ARG 45 23.166 -0.032 0.202
320 H ALA 46 H ALA 46 17.915 -1.248 2.716
321 HA ALA 46 HA ALA 46 18.111 0.285 4.505
322 1HB ALA 46 1HB ALA 46 17.680 1.766 2.446
323 2HB ALA 46 2HB ALA 46 17.315 2.482 4.015
324 3HB ALA 46 3HB ALA 46 16.010 1.862 3.005
325 H SER 47 H SER 47 17.079 0.570 6.507
326 HA SER 47 HA SER 47 14.203 0.538 6.850
327 1HB SER 47 1HB SER 47 14.841 -1.853 8.162
328 2HB SER 47 2HB SER 47 13.925 -1.699 6.666
329 HG SER 47 HG SER 47 15.948 -3.044 6.712
330 HA PRO 48 HA PRO 48 16.268 0.239 11.141
331 1HB PRO 48 1HB PRO 48 18.914 -0.453 11.269
332 2HB PRO 48 2HB PRO 48 17.600 -1.647 11.289
333 1HG PRO 48 1HG PRO 48 19.356 -0.804 9.037
334 2HG PRO 48 2HG PRO 48 18.757 -2.416 9.459
335 1HD PRO 48 1HD PRO 48 17.687 -0.896 7.471
336 2HD PRO 48 2HD PRO 48 16.755 -2.093 8.395
337 H SER 49 H SER 49 17.999 1.636 12.343
338 HA SER 49 HA SER 49 19.511 3.543 10.709
339 1HB SER 49 1HB SER 49 18.084 5.395 10.979
340 2HB SER 49 2HB SER 49 16.945 4.082 10.696
341 HG SER 49 HG SER 49 17.027 5.675 12.756
342 H GLN 50 H GLN 50 21.279 3.991 11.961
343 HA GLN 50 HA GLN 50 20.902 4.339 14.905
344 1HB GLN 50 1HB GLN 50 22.472 2.310 13.396
345 2HB GLN 50 2HB GLN 50 23.260 3.011 14.809
346 1HG GLN 50 1HG GLN 50 21.358 2.401 16.219
347 2HG GLN 50 2HG GLN 50 20.489 1.779 14.815
348 1HE2 GLN 50 1HE2 GLN 50 21.593 -0.099 13.642
349 2HE2 GLN 50 2HE2 GLN 50 22.518 -1.182 14.565
Start of MODEL 17
1 H ASP 1 H ASP 1 -2.122 18.086 20.569
2 HA ASP 1 HA ASP 1 -3.810 16.501 18.724
3 1HB ASP 1 1HB ASP 1 -1.160 17.971 18.679
4 2HB ASP 1 2HB ASP 1 -1.709 16.945 17.352
5 H SER 2 H SER 2 -3.206 14.359 18.311
6 HA SER 2 HA SER 2 -0.754 13.253 19.554
7 1HB SER 2 1HB SER 2 -2.419 13.161 21.336
8 2HB SER 2 2HB SER 2 -3.592 12.427 20.246
9 HG SER 2 HG SER 2 -2.188 11.060 21.744
10 H PHE 3 H PHE 3 -3.679 11.504 18.626
11 HA PHE 3 HA PHE 3 -2.177 9.923 16.667
12 1HB PHE 3 1HB PHE 3 -4.709 9.875 18.136
13 2HB PHE 3 2HB PHE 3 -4.893 9.329 16.469
14 HD1 PHE 3 HD1 PHE 3 -3.901 7.275 15.702
15 HD2 PHE 3 HD2 PHE 3 -3.091 8.747 19.655
16 HE1 PHE 3 HE1 PHE 3 -2.869 5.100 16.300
17 HE2 PHE 3 HE2 PHE 3 -2.059 6.573 20.253
18 HZ PHE 3 HZ PHE 3 -1.948 4.750 18.575
19 H TRP 4 H TRP 4 -4.238 9.551 14.732
20 HA TRP 4 HA TRP 4 -5.296 11.921 13.584
21 1HB TRP 4 1HB TRP 4 -2.424 11.560 13.406
22 2HB TRP 4 2HB TRP 4 -3.141 11.613 11.796
23 HD1 TRP 4 HD1 TRP 4 -1.749 13.859 14.216
24 HE1 TRP 4 HE1 TRP 4 -2.648 16.260 13.950
25 HE3 TRP 4 HE3 TRP 4 -5.795 12.960 11.232
26 HZ2 TRP 4 HZ2 TRP 4 -4.800 17.620 12.644
27 HZ3 TRP 4 HZ3 TRP 4 -7.251 14.824 10.493
28 HH2 TRP 4 HH2 TRP 4 -6.759 17.151 11.195
29 H ASN 5 H ASN 5 -3.795 8.771 13.030
30 HA ASN 5 HA ASN 5 -5.682 8.332 10.738
31 1HB ASN 5 1HB ASN 5 -2.835 7.834 11.218
32 2HB ASN 5 2HB ASN 5 -3.682 6.400 10.639
33 1HD2 ASN 5 1HD2 ASN 5 -2.276 6.863 8.621
34 2HD2 ASN 5 2HD2 ASN 5 -2.900 7.944 7.471
35 HA PRO 6 HA PRO 6 -7.084 5.533 14.086
36 1HB PRO 6 1HB PRO 6 -9.730 5.665 13.394
37 2HB PRO 6 2HB PRO 6 -8.945 6.863 14.443
38 1HG PRO 6 1HG PRO 6 -9.616 7.034 11.549
39 2HG PRO 6 2HG PRO 6 -9.706 8.279 12.805
40 1HD PRO 6 1HD PRO 6 -7.686 8.124 10.975
41 2HD PRO 6 2HD PRO 6 -7.498 8.838 12.592
42 H ASN 7 H ASN 7 -9.484 5.165 11.563
43 HA ASN 7 HA ASN 7 -8.157 2.614 10.700
44 1HB ASN 7 1HB ASN 7 -10.349 2.790 12.271
45 2HB ASN 7 2HB ASN 7 -11.124 2.870 10.688
46 1HD2 ASN 7 1HD2 ASN 7 -12.022 0.670 11.081
47 2HD2 ASN 7 2HD2 ASN 7 -11.028 -0.694 10.906
48 H ALA 8 H ALA 8 -7.447 4.485 9.059
49 HA ALA 8 HA ALA 8 -9.531 4.983 6.998
50 1HB ALA 8 1HB ALA 8 -7.426 6.432 8.107
51 2HB ALA 8 2HB ALA 8 -8.320 6.870 6.652
52 3HB ALA 8 3HB ALA 8 -6.814 5.962 6.521
53 H PHE 9 H PHE 9 -7.670 5.151 4.808
54 HA PHE 9 HA PHE 9 -7.776 2.567 3.697
55 1HB PHE 9 1HB PHE 9 -6.524 5.163 3.183
56 2HB PHE 9 2HB PHE 9 -5.576 3.821 2.542
57 HD1 PHE 9 HD1 PHE 9 -8.505 5.873 2.102
58 HD2 PHE 9 HD2 PHE 9 -6.762 2.079 1.091
59 HE1 PHE 9 HE1 PHE 9 -10.103 5.640 0.220
60 HE2 PHE 9 HE2 PHE 9 -8.360 1.846 -0.791
61 HZ PHE 9 HZ PHE 9 -10.031 3.627 -1.227
62 H GLU 10 H GLU 10 -6.620 0.734 4.130
63 HA GLU 10 HA GLU 10 -3.954 1.022 5.459
64 1HB GLU 10 1HB GLU 10 -5.810 0.269 6.948
65 2HB GLU 10 2HB GLU 10 -6.084 -1.081 5.844
66 1HG GLU 10 1HG GLU 10 -4.396 -2.270 6.753
67 2HG GLU 10 2HG GLU 10 -3.285 -0.908 6.605
68 H THR 11 H THR 11 -5.083 0.463 2.654
69 HA THR 11 HA THR 11 -4.321 -2.199 1.880
70 HB THR 11 HB THR 11 -4.169 0.166 0.035
71 HG1 THR 11 HG1 THR 11 -6.311 0.485 0.162
72 1HG2 THR 11 1HG2 THR 11 -5.929 -1.817 -0.884
73 2HG2 THR 11 2HG2 THR 11 -4.609 -2.697 -0.114
74 3HG2 THR 11 3HG2 THR 11 -4.267 -1.554 -1.413
75 H ASP 12 H ASP 12 -2.573 -1.807 -0.281
76 HA ASP 12 HA ASP 12 -0.024 -2.175 0.702
77 1HB ASP 12 1HB ASP 12 0.674 -1.205 -1.553
78 2HB ASP 12 2HB ASP 12 -0.556 -2.465 -1.623
79 H SER 13 H SER 13 1.792 -0.782 1.110
80 HA SER 13 HA SER 13 1.025 1.982 1.934
81 1HB SER 13 1HB SER 13 3.397 1.632 3.062
82 2HB SER 13 2HB SER 13 1.966 0.871 3.751
83 HG SER 13 HG SER 13 4.157 -0.246 2.589
84 H ASP 14 H ASP 14 3.983 0.420 0.682
85 HA ASP 14 HA ASP 14 4.159 2.271 -1.580
86 1HB ASP 14 1HB ASP 14 6.257 3.335 -0.690
87 2HB ASP 14 2HB ASP 14 4.821 3.730 0.255
88 H LEU 15 H LEU 15 4.167 -0.490 -1.651
89 HA LEU 15 HA LEU 15 6.812 -1.661 -1.491
90 1HB LEU 15 1HB LEU 15 4.178 -2.393 -2.791
91 2HB LEU 15 2HB LEU 15 5.593 -3.435 -2.910
92 HG LEU 15 HG LEU 15 4.304 -4.202 -1.028
93 1HD1 LEU 15 1HD1 LEU 15 6.877 -3.807 -0.839
94 2HD1 LEU 15 2HD1 LEU 15 5.967 -4.174 0.626
95 3HD1 LEU 15 3HD1 LEU 15 6.429 -2.511 0.269
96 1HD2 LEU 15 1HD2 LEU 15 4.513 -1.479 0.254
97 2HD2 LEU 15 2HD2 LEU 15 3.416 -2.802 0.649
98 3HD2 LEU 15 3HD2 LEU 15 3.170 -1.864 -0.823
99 HA PRO 16 HA PRO 16 8.525 -0.533 -5.369
100 1HB PRO 16 1HB PRO 16 9.656 -2.877 -6.223
101 2HB PRO 16 2HB PRO 16 10.323 -1.909 -4.892
102 1HG PRO 16 1HG PRO 16 8.634 -4.360 -4.785
103 2HG PRO 16 2HG PRO 16 10.019 -3.901 -3.782
104 1HD PRO 16 1HD PRO 16 7.444 -3.659 -2.952
105 2HD PRO 16 2HD PRO 16 8.747 -2.584 -2.398
106 H ALA 17 H ALA 17 8.794 -2.077 -7.715
107 HA ALA 17 HA ALA 17 5.950 -2.234 -8.583
108 1HB ALA 17 1HB ALA 17 7.903 -2.557 -10.676
109 2HB ALA 17 2HB ALA 17 8.397 -1.229 -9.625
110 3HB ALA 17 3HB ALA 17 6.811 -1.200 -10.396
111 H GLY 18 H GLY 18 5.047 -4.242 -8.688
112 1HA GLY 18 1HA GLY 18 5.041 -6.449 -9.770
113 2HA GLY 18 2HA GLY 18 6.781 -6.532 -9.509
114 H TRP 19 H TRP 19 5.446 -5.199 -6.758
115 HA TRP 19 HA TRP 19 5.323 -7.902 -5.462
116 1HB TRP 19 1HB TRP 19 6.499 -5.251 -4.751
117 2HB TRP 19 2HB TRP 19 5.875 -6.239 -3.430
118 HD1 TRP 19 HD1 TRP 19 8.753 -5.919 -5.785
119 HE1 TRP 19 HE1 TRP 19 10.415 -7.856 -5.423
120 HE3 TRP 19 HE3 TRP 19 5.952 -8.934 -2.757
121 HZ2 TRP 19 HZ2 TRP 19 10.539 -10.358 -4.038
122 HZ3 TRP 19 HZ3 TRP 19 6.866 -11.088 -1.937
123 HH2 TRP 19 HH2 TRP 19 9.153 -11.801 -2.572
124 H MET 20 H MET 20 3.304 -8.432 -4.768
125 HA MET 20 HA MET 20 1.305 -6.250 -4.346
126 1HB MET 20 1HB MET 20 0.864 -9.229 -4.642
127 2HB MET 20 2HB MET 20 -0.310 -7.942 -4.890
128 1HG MET 20 1HG MET 20 2.110 -8.571 -6.595
129 2HG MET 20 2HG MET 20 0.414 -8.659 -7.070
130 1HE MET 20 1HE MET 20 -0.777 -5.020 -7.055
131 2HE MET 20 2HE MET 20 -0.951 -6.330 -5.890
132 3HE MET 20 3HE MET 20 -1.109 -6.665 -7.612
133 H ARG 21 H ARG 21 -0.256 -6.619 -2.551
134 HA ARG 21 HA ARG 21 1.007 -8.021 -0.215
135 1HB ARG 21 1HB ARG 21 1.089 -5.593 -0.010
136 2HB ARG 21 2HB ARG 21 -0.624 -5.467 -0.414
137 1HG ARG 21 1HG ARG 21 -1.036 -6.979 1.632
138 2HG ARG 21 2HG ARG 21 0.626 -6.602 2.089
139 1HD ARG 21 1HD ARG 21 -0.078 -4.113 1.746
140 2HD ARG 21 2HD ARG 21 -1.734 -4.737 1.879
141 HE ARG 21 HE ARG 21 -0.939 -5.816 4.061
142 1HH1 ARG 21 1HH1 ARG 21 1.678 -4.147 2.975
143 2HH1 ARG 21 2HH1 ARG 21 1.830 -3.087 4.335
144 1HH2 ARG 21 1HH2 ARG 21 -1.229 -3.974 5.707
145 2HH2 ARG 21 2HH2 ARG 21 0.185 -2.990 5.882
146 H VAL 22 H VAL 22 -0.228 -9.804 0.297
147 HA VAL 22 HA VAL 22 -3.191 -9.625 -0.161
148 HB VAL 22 HB VAL 22 -1.466 -12.106 -0.055
149 1HG1 VAL 22 1HG1 VAL 22 -4.171 -11.519 -1.297
150 2HG1 VAL 22 2HG1 VAL 22 -3.906 -12.401 0.207
151 3HG1 VAL 22 3HG1 VAL 22 -3.343 -13.076 -1.321
152 1HG2 VAL 22 1HG2 VAL 22 -1.826 -11.871 -2.662
153 2HG2 VAL 22 2HG2 VAL 22 -0.494 -11.019 -1.880
154 3HG2 VAL 22 3HG2 VAL 22 -1.979 -10.155 -2.283
155 H GLN 23 H GLN 23 -4.488 -10.948 1.363
156 HA GLN 23 HA GLN 23 -3.222 -11.130 4.079
157 1HB GLN 23 1HB GLN 23 -4.806 -9.276 3.863
158 2HB GLN 23 2HB GLN 23 -6.030 -10.366 3.210
159 1HG GLN 23 1HG GLN 23 -6.709 -10.841 5.300
160 2HG GLN 23 2HG GLN 23 -5.107 -11.486 5.664
161 1HE2 GLN 23 1HE2 GLN 23 -3.845 -10.310 7.139
162 2HE2 GLN 23 2HE2 GLN 23 -4.216 -8.746 7.685
163 H ASP 24 H ASP 24 -2.799 -13.393 4.009
164 HA ASP 24 HA ASP 24 -5.063 -15.205 3.334
165 1HB ASP 24 1HB ASP 24 -2.230 -15.173 3.007
166 2HB ASP 24 2HB ASP 24 -2.648 -16.558 4.013
167 H THR 25 H THR 25 -5.056 -17.262 4.828
168 HA THR 25 HA THR 25 -5.927 -16.601 7.419
169 HB THR 25 HB THR 25 -5.409 -19.087 7.817
170 HG1 THR 25 HG1 THR 25 -4.776 -20.162 5.871
171 1HG2 THR 25 1HG2 THR 25 -7.544 -19.024 7.065
172 2HG2 THR 25 2HG2 THR 25 -6.864 -19.545 5.524
173 3HG2 THR 25 3HG2 THR 25 -7.164 -17.834 5.821
174 H SER 26 H SER 26 -2.759 -18.074 6.585
175 HA SER 26 HA SER 26 -1.530 -17.999 9.084
176 1HB SER 26 1HB SER 26 -0.462 -17.463 6.302
177 2HB SER 26 2HB SER 26 0.575 -17.748 7.695
178 HG SER 26 HG SER 26 0.079 -19.798 7.633
179 H GLY 27 H GLY 27 -1.742 -15.361 6.704
180 1HA GLY 27 1HA GLY 27 -2.027 -13.220 8.421
181 2HA GLY 27 2HA GLY 27 -0.284 -13.494 8.402
182 H THR 28 H THR 28 -0.692 -11.151 7.437
183 HA THR 28 HA THR 28 -1.433 -11.132 4.589
184 HB THR 28 HB THR 28 -0.083 -8.907 6.102
185 HG1 THR 28 HG1 THR 28 -2.288 -8.435 6.834
186 1HG2 THR 28 1HG2 THR 28 -1.404 -7.507 4.717
187 2HG2 THR 28 2HG2 THR 28 -2.496 -8.825 4.290
188 3HG2 THR 28 3HG2 THR 28 -0.851 -8.799 3.653
189 H TYR 29 H TYR 29 0.052 -11.841 3.098
190 HA TYR 29 HA TYR 29 2.958 -11.364 3.674
191 1HB TYR 29 1HB TYR 29 3.331 -13.341 2.288
192 2HB TYR 29 2HB TYR 29 2.133 -13.725 3.521
193 HD1 TYR 29 HD1 TYR 29 2.743 -13.229 -0.051
194 HD2 TYR 29 HD2 TYR 29 -0.274 -13.871 2.938
195 HE1 TYR 29 HE1 TYR 29 1.119 -13.841 -1.822
196 HE2 TYR 29 HE2 TYR 29 -1.899 -14.483 1.167
197 HH TYR 29 HH TYR 29 -2.211 -14.823 -1.000
198 H TYR 30 H TYR 30 3.801 -11.914 1.009
199 HA TYR 30 HA TYR 30 2.552 -9.681 -0.552
200 1HB TYR 30 1HB TYR 30 5.482 -10.296 -0.052
201 2HB TYR 30 2HB TYR 30 4.903 -9.064 -1.174
202 HD1 TYR 30 HD1 TYR 30 5.663 -9.836 2.262
203 HD2 TYR 30 HD2 TYR 30 3.394 -7.207 -0.265
204 HE1 TYR 30 HE1 TYR 30 5.429 -8.233 4.141
205 HE2 TYR 30 HE2 TYR 30 3.160 -5.605 1.613
206 HH TYR 30 HH TYR 30 4.900 -5.330 4.023
207 H TRP 31 H TRP 31 2.067 -10.305 -2.623
208 HA TRP 31 HA TRP 31 3.065 -12.947 -3.561
209 1HB TRP 31 1HB TRP 31 0.705 -12.706 -3.590
210 2HB TRP 31 2HB TRP 31 0.798 -11.090 -4.285
211 HD1 TRP 31 HD1 TRP 31 2.991 -13.842 -5.699
212 HE1 TRP 31 HE1 TRP 31 2.186 -14.424 -8.078
213 HE3 TRP 31 HE3 TRP 31 -1.341 -11.142 -5.850
214 HZ2 TRP 31 HZ2 TRP 31 -0.006 -13.822 -9.816
215 HZ3 TRP 31 HZ3 TRP 31 -2.766 -11.163 -7.876
216 HH2 TRP 31 HH2 TRP 31 -2.105 -12.499 -9.858
217 H HIS 32 H HIS 32 4.935 -12.764 -4.696
218 HA HIS 32 HA HIS 32 5.713 -10.381 -6.169
219 1HB HIS 32 1HB HIS 32 6.994 -12.424 -4.950
220 2HB HIS 32 2HB HIS 32 7.016 -13.026 -6.607
221 HD1 HIS 32 HD1 HIS 32 9.718 -12.363 -5.673
222 HD2 HIS 32 HD2 HIS 32 7.216 -9.389 -7.178
223 HE1 HIS 32 HE1 HIS 32 11.222 -10.459 -6.396
224 H ILE 33 H ILE 33 4.671 -9.922 -8.051
225 HA ILE 33 HA ILE 33 3.278 -11.804 -9.701
226 HB ILE 33 HB ILE 33 4.362 -9.031 -10.291
227 1HG1 ILE 33 1HG1 ILE 33 1.853 -10.019 -8.907
228 2HG1 ILE 33 2HG1 ILE 33 3.063 -8.897 -8.285
229 1HG2 ILE 33 1HG2 ILE 33 1.801 -10.081 -11.407
230 2HG2 ILE 33 2HG2 ILE 33 3.296 -10.708 -12.102
231 3HG2 ILE 33 3HG2 ILE 33 2.970 -8.975 -12.128
232 1HD1 ILE 33 1HD1 ILE 33 2.414 -7.209 -9.904
233 2HD1 ILE 33 2HD1 ILE 33 0.963 -7.766 -9.071
234 3HD1 ILE 33 3HD1 ILE 33 1.319 -8.339 -10.701
235 HA PRO 34 HA PRO 34 7.084 -11.414 -12.593
236 1HB PRO 34 1HB PRO 34 9.472 -10.710 -11.459
237 2HB PRO 34 2HB PRO 34 8.335 -9.534 -12.146
238 1HG PRO 34 1HG PRO 34 8.849 -10.238 -9.313
239 2HG PRO 34 2HG PRO 34 8.431 -8.677 -10.034
240 1HD PRO 34 1HD PRO 34 6.671 -10.306 -8.692
241 2HD PRO 34 2HD PRO 34 6.195 -9.066 -9.872
242 H THR 35 H THR 35 8.446 -12.209 -9.349
243 HA THR 35 HA THR 35 9.604 -14.694 -10.434
244 HB THR 35 HB THR 35 10.681 -14.791 -8.290
245 HG1 THR 35 HG1 THR 35 9.776 -14.025 -6.546
246 1HG2 THR 35 1HG2 THR 35 11.949 -12.969 -8.677
247 2HG2 THR 35 2HG2 THR 35 10.621 -11.880 -8.282
248 3HG2 THR 35 3HG2 THR 35 10.773 -12.527 -9.915
249 H GLY 36 H GLY 36 6.613 -13.774 -9.128
250 1HA GLY 36 1HA GLY 36 4.762 -15.023 -8.411
251 2HA GLY 36 2HA GLY 36 5.541 -16.414 -9.167
252 H THR 37 H THR 37 7.520 -14.890 -6.850
253 HA THR 37 HA THR 37 7.249 -17.203 -5.037
254 HB THR 37 HB THR 37 8.977 -14.745 -4.729
255 HG1 THR 37 HG1 THR 37 9.059 -16.783 -6.608
256 1HG2 THR 37 1HG2 THR 37 10.339 -17.136 -4.125
257 2HG2 THR 37 2HG2 THR 37 8.732 -17.299 -3.416
258 3HG2 THR 37 3HG2 THR 37 9.750 -15.924 -2.988
259 H THR 38 H THR 38 6.911 -16.851 -2.699
260 HA THR 38 HA THR 38 5.264 -14.402 -2.123
261 HB THR 38 HB THR 38 4.569 -16.467 -0.339
262 HG1 THR 38 HG1 THR 38 4.679 -18.260 -1.418
263 1HG2 THR 38 1HG2 THR 38 3.317 -14.679 -1.978
264 2HG2 THR 38 2HG2 THR 38 2.486 -15.966 -1.104
265 3HG2 THR 38 3HG2 THR 38 2.945 -16.198 -2.791
266 H GLN 39 H GLN 39 5.460 -13.600 0.108
267 HA GLN 39 HA GLN 39 7.754 -14.693 1.677
268 1HB GLN 39 1HB GLN 39 7.375 -11.797 0.847
269 2HB GLN 39 2HB GLN 39 8.698 -12.425 1.830
270 1HG GLN 39 1HG GLN 39 8.909 -14.081 -0.287
271 2HG GLN 39 2HG GLN 39 8.236 -12.666 -1.097
272 1HE2 GLN 39 1HE2 GLN 39 11.149 -14.037 0.014
273 2HE2 GLN 39 2HE2 GLN 39 12.109 -12.639 -0.037
274 H TRP 40 H TRP 40 7.552 -12.089 3.262
275 HA TRP 40 HA TRP 40 4.854 -12.310 4.478
276 1HB TRP 40 1HB TRP 40 7.477 -12.943 5.866
277 2HB TRP 40 2HB TRP 40 5.940 -12.739 6.708
278 HD1 TRP 40 HD1 TRP 40 7.811 -15.107 4.395
279 HE1 TRP 40 HE1 TRP 40 6.540 -17.347 4.283
280 HE3 TRP 40 HE3 TRP 40 3.557 -13.836 6.918
281 HZ2 TRP 40 HZ2 TRP 40 4.050 -18.454 5.150
282 HZ3 TRP 40 HZ3 TRP 40 1.753 -15.500 7.260
283 HH2 TRP 40 HH2 TRP 40 1.993 -17.806 6.380
284 H GLU 41 H GLU 41 8.082 -10.808 4.521
285 HA GLU 41 HA GLU 41 6.942 -8.381 5.826
286 1HB GLU 41 1HB GLU 41 9.810 -9.037 5.100
287 2HB GLU 41 2HB GLU 41 9.248 -7.859 6.286
288 1HG GLU 41 1HG GLU 41 8.118 -9.874 7.455
289 2HG GLU 41 2HG GLU 41 9.178 -10.868 6.456
290 HA PRO 42 HA PRO 42 7.009 -6.052 2.112
291 1HB PRO 42 1HB PRO 42 7.876 -3.606 2.982
292 2HB PRO 42 2HB PRO 42 6.259 -4.243 3.344
293 1HG PRO 42 1HG PRO 42 8.686 -4.153 5.061
294 2HG PRO 42 2HG PRO 42 6.988 -3.905 5.492
295 1HD PRO 42 1HD PRO 42 8.352 -6.224 5.973
296 2HD PRO 42 2HD PRO 42 6.591 -6.142 5.746
297 HA PRO 43 HA PRO 43 11.265 -6.508 0.842
298 1HB PRO 43 1HB PRO 43 10.835 -6.004 -1.814
299 2HB PRO 43 2HB PRO 43 10.447 -7.559 -1.052
300 1HG PRO 43 1HG PRO 43 8.647 -5.301 -1.766
301 2HG PRO 43 2HG PRO 43 8.367 -7.046 -1.873
302 1HD PRO 43 1HD PRO 43 7.370 -5.472 0.124
303 2HD PRO 43 2HD PRO 43 7.715 -7.205 0.314
304 H GLY 44 H GLY 44 11.680 -4.425 2.069
305 1HA GLY 44 1HA GLY 44 11.851 -2.087 0.209
306 2HA GLY 44 2HA GLY 44 11.640 -1.928 1.953
307 H ARG 45 H ARG 45 13.681 -0.516 1.303
308 HA ARG 45 HA ARG 45 16.186 -1.920 0.886
309 1HB ARG 45 1HB ARG 45 15.143 0.785 1.192
310 2HB ARG 45 2HB ARG 45 16.686 0.589 2.022
311 1HG ARG 45 1HG ARG 45 17.560 -0.494 -0.109
312 2HG ARG 45 2HG ARG 45 16.080 0.059 -0.894
313 1HD ARG 45 1HD ARG 45 18.108 1.844 0.504
314 2HD ARG 45 2HD ARG 45 17.865 1.716 -1.249
315 HE ARG 45 HE ARG 45 15.343 2.281 -0.438
316 1HH1 ARG 45 1HH1 ARG 45 16.825 4.499 -1.649
317 2HH1 ARG 45 2HH1 ARG 45 16.886 5.679 -0.383
318 1HH2 ARG 45 1HH2 ARG 45 16.092 3.418 2.123
319 2HH2 ARG 45 2HH2 ARG 45 16.473 5.067 1.753
320 H ALA 46 H ALA 46 17.734 -2.504 2.437
321 HA ALA 46 HA ALA 46 18.418 -3.328 4.550
322 1HB ALA 46 1HB ALA 46 17.347 -0.545 5.111
323 2HB ALA 46 2HB ALA 46 19.002 -0.975 4.679
324 3HB ALA 46 3HB ALA 46 18.345 -1.457 6.243
325 H SER 47 H SER 47 16.080 -1.434 6.282
326 HA SER 47 HA SER 47 14.200 -2.072 7.564
327 1HB SER 47 1HB SER 47 13.954 -3.090 4.977
328 2HB SER 47 2HB SER 47 13.622 -4.479 6.009
329 HG SER 47 HG SER 47 12.156 -3.052 7.162
330 HA PRO 48 HA PRO 48 16.095 -5.109 10.174
331 1HB PRO 48 1HB PRO 48 14.179 -5.125 12.128
332 2HB PRO 48 2HB PRO 48 15.369 -3.820 11.952
333 1HG PRO 48 1HG PRO 48 12.518 -3.906 11.111
334 2HG PRO 48 2HG PRO 48 13.456 -2.567 11.788
335 1HD PRO 48 1HD PRO 48 12.869 -2.817 9.131
336 2HD PRO 48 2HD PRO 48 14.293 -1.953 9.751
337 H SER 49 H SER 49 15.316 -7.232 11.279
338 HA SER 49 HA SER 49 12.938 -8.472 10.024
339 1HB SER 49 1HB SER 49 15.461 -8.593 8.832
340 2HB SER 49 2HB SER 49 15.320 -10.131 9.678
341 HG SER 49 HG SER 49 14.352 -10.437 7.734
342 H GLN 50 H GLN 50 12.181 -10.221 11.269
343 HA GLN 50 HA GLN 50 13.895 -11.140 13.543
344 1HB GLN 50 1HB GLN 50 11.783 -9.315 13.694
345 2HB GLN 50 2HB GLN 50 11.068 -10.844 14.208
346 1HG GLN 50 1HG GLN 50 13.210 -11.083 15.674
347 2HG GLN 50 2HG GLN 50 13.384 -9.346 15.418
348 1HE2 GLN 50 1HE2 GLN 50 11.252 -8.055 15.903
349 2HE2 GLN 50 2HE2 GLN 50 10.359 -8.562 17.254
Start of MODEL 18
1 H ASP 1 H ASP 1 -3.827 16.762 -6.259
2 HA ASP 1 HA ASP 1 -1.808 14.705 -5.600
3 1HB ASP 1 1HB ASP 1 -3.126 16.759 -3.901
4 2HB ASP 1 2HB ASP 1 -3.117 15.114 -3.263
5 H SER 2 H SER 2 -3.177 12.970 -4.311
6 HA SER 2 HA SER 2 -4.856 11.317 -4.604
7 1HB SER 2 1HB SER 2 -5.770 13.673 -3.489
8 2HB SER 2 2HB SER 2 -6.936 13.392 -4.779
9 HG SER 2 HG SER 2 -7.769 11.988 -3.464
10 H PHE 3 H PHE 3 -4.110 10.900 -6.883
11 HA PHE 3 HA PHE 3 -5.941 12.044 -8.956
12 1HB PHE 3 1HB PHE 3 -3.231 11.915 -8.850
13 2HB PHE 3 2HB PHE 3 -3.575 10.394 -9.671
14 HD1 PHE 3 HD1 PHE 3 -5.892 10.920 -11.300
15 HD2 PHE 3 HD2 PHE 3 -2.562 13.494 -10.441
16 HE1 PHE 3 HE1 PHE 3 -6.296 12.150 -13.415
17 HE2 PHE 3 HE2 PHE 3 -2.966 14.724 -12.557
18 HZ PHE 3 HZ PHE 3 -4.835 14.052 -14.043
19 H TRP 4 H TRP 4 -7.219 10.160 -7.442
20 HA TRP 4 HA TRP 4 -8.083 8.191 -9.272
21 1HB TRP 4 1HB TRP 4 -5.514 7.692 -8.055
22 2HB TRP 4 2HB TRP 4 -6.657 6.450 -7.544
23 HD1 TRP 4 HD1 TRP 4 -8.421 6.360 -10.184
24 HE1 TRP 4 HE1 TRP 4 -7.449 5.286 -12.315
25 HE3 TRP 4 HE3 TRP 4 -3.434 6.670 -9.131
26 HZ2 TRP 4 HZ2 TRP 4 -4.894 4.643 -13.428
27 HZ3 TRP 4 HZ3 TRP 4 -1.754 5.819 -10.743
28 HH2 TRP 4 HH2 TRP 4 -2.477 4.807 -12.889
29 H ASN 5 H ASN 5 -7.116 7.367 -5.962
30 HA ASN 5 HA ASN 5 -9.898 7.832 -5.000
31 1HB ASN 5 1HB ASN 5 -8.705 5.314 -5.766
32 2HB ASN 5 2HB ASN 5 -9.076 5.294 -4.042
33 1HD2 ASN 5 1HD2 ASN 5 -10.511 3.830 -6.220
34 2HD2 ASN 5 2HD2 ASN 5 -12.119 4.367 -6.155
35 HA PRO 6 HA PRO 6 -7.479 9.110 -1.518
36 1HB PRO 6 1HB PRO 6 -9.558 9.525 0.212
37 2HB PRO 6 2HB PRO 6 -9.158 10.645 -1.104
38 1HG PRO 6 1HG PRO 6 -11.294 8.582 -0.960
39 2HG PRO 6 2HG PRO 6 -11.328 10.195 -1.690
40 1HD PRO 6 1HD PRO 6 -11.035 7.877 -3.118
41 2HD PRO 6 2HD PRO 6 -10.436 9.461 -3.660
42 H ASN 7 H ASN 7 -10.131 7.731 0.296
43 HA ASN 7 HA ASN 7 -8.276 5.659 1.369
44 1HB ASN 7 1HB ASN 7 -10.043 5.633 3.188
45 2HB ASN 7 2HB ASN 7 -9.229 7.182 2.982
46 1HD2 ASN 7 1HD2 ASN 7 -12.293 5.481 2.549
47 2HD2 ASN 7 2HD2 ASN 7 -13.207 6.855 2.149
48 H ALA 8 H ALA 8 -9.282 5.000 -1.150
49 HA ALA 8 HA ALA 8 -11.522 3.092 -0.573
50 1HB ALA 8 1HB ALA 8 -12.157 3.405 -2.823
51 2HB ALA 8 2HB ALA 8 -10.545 3.945 -3.295
52 3HB ALA 8 3HB ALA 8 -11.590 5.006 -2.349
53 H PHE 9 H PHE 9 -11.332 0.945 -1.607
54 HA PHE 9 HA PHE 9 -8.926 -0.422 -1.134
55 1HB PHE 9 1HB PHE 9 -11.515 -0.930 -2.103
56 2HB PHE 9 2HB PHE 9 -10.433 -1.528 -3.362
57 HD1 PHE 9 HD1 PHE 9 -9.415 -3.624 -3.120
58 HD2 PHE 9 HD2 PHE 9 -10.913 -1.590 0.355
59 HE1 PHE 9 HE1 PHE 9 -8.898 -5.614 -1.732
60 HE2 PHE 9 HE2 PHE 9 -10.396 -3.580 1.741
61 HZ PHE 9 HZ PHE 9 -9.389 -5.591 0.698
62 H GLU 10 H GLU 10 -6.969 -0.176 -2.132
63 HA GLU 10 HA GLU 10 -6.947 0.426 -5.071
64 1HB GLU 10 1HB GLU 10 -5.868 1.860 -2.752
65 2HB GLU 10 2HB GLU 10 -4.651 1.558 -3.993
66 1HG GLU 10 1HG GLU 10 -6.804 2.342 -5.507
67 2HG GLU 10 2HG GLU 10 -7.000 3.335 -4.062
68 H THR 11 H THR 11 -4.408 0.121 -5.736
69 HA THR 11 HA THR 11 -3.864 -2.709 -5.415
70 HB THR 11 HB THR 11 -1.859 -0.714 -6.415
71 HG1 THR 11 HG1 THR 11 -4.074 -1.466 -7.975
72 1HG2 THR 11 1HG2 THR 11 -1.105 -2.489 -7.602
73 2HG2 THR 11 2HG2 THR 11 -2.733 -2.954 -8.097
74 3HG2 THR 11 3HG2 THR 11 -2.111 -3.460 -6.526
75 H ASP 12 H ASP 12 -1.052 -2.719 -5.167
76 HA ASP 12 HA ASP 12 -0.516 -3.087 -2.492
77 1HB ASP 12 1HB ASP 12 1.862 -2.435 -3.180
78 2HB ASP 12 2HB ASP 12 1.079 -3.646 -4.190
79 H SER 13 H SER 13 -0.121 -1.779 -0.709
80 HA SER 13 HA SER 13 -0.942 0.978 -0.745
81 1HB SER 13 1HB SER 13 -0.264 -1.079 1.099
82 2HB SER 13 2HB SER 13 0.684 0.344 1.514
83 HG SER 13 HG SER 13 -1.838 -0.095 2.044
84 H ASP 14 H ASP 14 2.223 -0.121 0.431
85 HA ASP 14 HA ASP 14 3.513 2.035 -1.206
86 1HB ASP 14 1HB ASP 14 3.989 1.297 1.701
87 2HB ASP 14 2HB ASP 14 4.864 2.543 0.811
88 H LEU 15 H LEU 15 3.497 -0.630 -2.065
89 HA LEU 15 HA LEU 15 6.097 -1.800 -1.199
90 1HB LEU 15 1HB LEU 15 3.645 -2.728 -2.691
91 2HB LEU 15 2HB LEU 15 5.135 -3.662 -2.765
92 HG LEU 15 HG LEU 15 3.811 -4.550 -0.953
93 1HD1 LEU 15 1HD1 LEU 15 5.666 -2.837 0.624
94 2HD1 LEU 15 2HD1 LEU 15 6.381 -3.800 -0.669
95 3HD1 LEU 15 3HD1 LEU 15 5.479 -4.591 0.624
96 1HD2 LEU 15 1HD2 LEU 15 2.510 -3.279 0.407
97 2HD2 LEU 15 2HD2 LEU 15 2.804 -1.988 -0.759
98 3HD2 LEU 15 3HD2 LEU 15 3.799 -2.110 0.693
99 HA PRO 16 HA PRO 16 8.194 -0.697 -4.887
100 1HB PRO 16 1HB PRO 16 9.478 -3.011 -5.596
101 2HB PRO 16 2HB PRO 16 9.971 -2.013 -4.213
102 1HG PRO 16 1HG PRO 16 8.350 -4.511 -4.258
103 2HG PRO 16 2HG PRO 16 9.612 -4.007 -3.123
104 1HD PRO 16 1HD PRO 16 6.966 -3.833 -2.556
105 2HD PRO 16 2HD PRO 16 8.172 -2.706 -1.894
106 H ALA 17 H ALA 17 8.751 -2.243 -7.180
107 HA ALA 17 HA ALA 17 6.045 -2.386 -8.384
108 1HB ALA 17 1HB ALA 17 8.078 -2.894 -10.277
109 2HB ALA 17 2HB ALA 17 8.751 -1.708 -9.158
110 3HB ALA 17 3HB ALA 17 7.240 -1.366 -10.004
111 H GLY 18 H GLY 18 5.084 -4.307 -8.914
112 1HA GLY 18 1HA GLY 18 4.974 -6.571 -9.645
113 2HA GLY 18 2HA GLY 18 6.711 -6.718 -9.399
114 H TRP 19 H TRP 19 5.275 -5.272 -6.696
115 HA TRP 19 HA TRP 19 5.171 -7.935 -5.320
116 1HB TRP 19 1HB TRP 19 6.304 -5.246 -4.642
117 2HB TRP 19 2HB TRP 19 5.737 -6.273 -3.327
118 HD1 TRP 19 HD1 TRP 19 8.608 -5.762 -5.612
119 HE1 TRP 19 HE1 TRP 19 10.324 -7.670 -5.347
120 HE3 TRP 19 HE3 TRP 19 5.849 -9.052 -2.847
121 HZ2 TRP 19 HZ2 TRP 19 10.498 -10.254 -4.129
122 HZ3 TRP 19 HZ3 TRP 19 6.814 -11.230 -2.154
123 HH2 TRP 19 HH2 TRP 19 9.132 -11.831 -2.791
124 H MET 20 H MET 20 3.137 -8.437 -4.634
125 HA MET 20 HA MET 20 1.153 -6.227 -4.281
126 1HB MET 20 1HB MET 20 0.781 -9.221 -4.589
127 2HB MET 20 2HB MET 20 -0.476 -7.993 -4.703
128 1HG MET 20 1HG MET 20 1.932 -7.974 -6.517
129 2HG MET 20 2HG MET 20 0.466 -8.870 -6.917
130 1HE MET 20 1HE MET 20 1.412 -4.769 -7.952
131 2HE MET 20 2HE MET 20 2.359 -6.229 -7.677
132 3HE MET 20 3HE MET 20 1.976 -5.167 -6.323
133 H ARG 21 H ARG 21 -0.493 -6.660 -2.525
134 HA ARG 21 HA ARG 21 0.793 -7.911 -0.117
135 1HB ARG 21 1HB ARG 21 0.486 -5.325 -0.373
136 2HB ARG 21 2HB ARG 21 -1.217 -5.663 -0.057
137 1HG ARG 21 1HG ARG 21 -0.661 -6.730 2.061
138 2HG ARG 21 2HG ARG 21 1.063 -6.547 1.735
139 1HD ARG 21 1HD ARG 21 0.272 -3.965 1.453
140 2HD ARG 21 2HD ARG 21 -0.898 -4.522 2.666
141 HE ARG 21 HE ARG 21 1.952 -5.239 3.085
142 1HH1 ARG 21 1HH1 ARG 21 1.179 -2.272 3.493
143 2HH1 ARG 21 2HH1 ARG 21 0.901 -2.257 5.203
144 1HH2 ARG 21 1HH2 ARG 21 0.728 -5.711 5.472
145 2HH2 ARG 21 2HH2 ARG 21 0.644 -4.204 6.324
146 H VAL 22 H VAL 22 -0.316 -9.860 0.083
147 HA VAL 22 HA VAL 22 -3.278 -9.840 -0.329
148 HB VAL 22 HB VAL 22 -1.328 -12.145 -0.089
149 1HG1 VAL 22 1HG1 VAL 22 -3.398 -12.982 -1.651
150 2HG1 VAL 22 2HG1 VAL 22 -4.235 -11.865 -0.573
151 3HG1 VAL 22 3HG1 VAL 22 -3.330 -13.223 0.095
152 1HG2 VAL 22 1HG2 VAL 22 -1.570 -12.196 -2.620
153 2HG2 VAL 22 2HG2 VAL 22 -0.647 -10.830 -1.993
154 3HG2 VAL 22 3HG2 VAL 22 -2.319 -10.602 -2.505
155 H GLN 23 H GLN 23 -4.504 -11.275 1.213
156 HA GLN 23 HA GLN 23 -3.345 -11.137 3.979
157 1HB GLN 23 1HB GLN 23 -5.379 -9.661 3.065
158 2HB GLN 23 2HB GLN 23 -6.289 -11.123 3.449
159 1HG GLN 23 1HG GLN 23 -5.741 -11.019 5.732
160 2HG GLN 23 2HG GLN 23 -4.363 -9.954 5.447
161 1HE2 GLN 23 1HE2 GLN 23 -4.773 -7.667 5.209
162 2HE2 GLN 23 2HE2 GLN 23 -6.298 -6.985 5.513
163 H ASP 24 H ASP 24 -2.580 -13.363 3.767
164 HA ASP 24 HA ASP 24 -4.475 -15.503 3.130
165 1HB ASP 24 1HB ASP 24 -1.662 -15.072 3.370
166 2HB ASP 24 2HB ASP 24 -2.104 -16.430 4.402
167 H THR 25 H THR 25 -4.720 -17.346 4.765
168 HA THR 25 HA THR 25 -6.003 -16.478 7.139
169 HB THR 25 HB THR 25 -5.988 -18.870 7.675
170 HG1 THR 25 HG1 THR 25 -4.542 -20.208 6.815
171 1HG2 THR 25 1HG2 THR 25 -6.230 -19.493 4.947
172 2HG2 THR 25 2HG2 THR 25 -6.657 -17.787 5.074
173 3HG2 THR 25 3HG2 THR 25 -7.523 -18.984 6.035
174 H SER 26 H SER 26 -2.619 -17.215 6.508
175 HA SER 26 HA SER 26 -1.861 -17.366 9.331
176 1HB SER 26 1HB SER 26 -0.655 -17.587 6.647
177 2HB SER 26 2HB SER 26 0.426 -16.927 7.872
178 HG SER 26 HG SER 26 -0.914 -19.411 7.803
179 H GLY 27 H GLY 27 -2.161 -14.859 6.905
180 1HA GLY 27 1HA GLY 27 -2.325 -12.627 8.410
181 2HA GLY 27 2HA GLY 27 -0.588 -12.929 8.490
182 H THR 28 H THR 28 -1.046 -10.622 7.344
183 HA THR 28 HA THR 28 -1.571 -10.838 4.462
184 HB THR 28 HB THR 28 -0.599 -8.591 6.257
185 HG1 THR 28 HG1 THR 28 -2.661 -8.161 6.531
186 1HG2 THR 28 1HG2 THR 28 -1.952 -7.642 3.950
187 2HG2 THR 28 2HG2 THR 28 -0.746 -8.802 3.396
188 3HG2 THR 28 3HG2 THR 28 -0.256 -7.417 4.372
189 H TYR 29 H TYR 29 0.021 -11.597 3.117
190 HA TYR 29 HA TYR 29 2.871 -11.027 3.860
191 1HB TYR 29 1HB TYR 29 3.363 -13.084 2.615
192 2HB TYR 29 2HB TYR 29 2.127 -13.405 3.829
193 HD1 TYR 29 HD1 TYR 29 2.857 -13.137 0.251
194 HD2 TYR 29 HD2 TYR 29 -0.241 -13.688 3.174
195 HE1 TYR 29 HE1 TYR 29 1.321 -13.931 -1.526
196 HE2 TYR 29 HE2 TYR 29 -1.778 -14.482 1.397
197 HH TYR 29 HH TYR 29 -1.554 -13.930 -1.605
198 H TYR 30 H TYR 30 3.821 -11.816 1.225
199 HA TYR 30 HA TYR 30 2.740 -9.583 -0.463
200 1HB TYR 30 1HB TYR 30 5.592 -10.393 0.171
201 2HB TYR 30 2HB TYR 30 5.172 -9.244 -1.099
202 HD1 TYR 30 HD1 TYR 30 3.692 -7.223 -0.422
203 HD2 TYR 30 HD2 TYR 30 5.833 -9.660 2.393
204 HE1 TYR 30 HE1 TYR 30 3.535 -5.412 1.265
205 HE2 TYR 30 HE2 TYR 30 5.677 -7.849 4.080
206 HH TYR 30 HH TYR 30 4.795 -5.861 4.565
207 H TRP 31 H TRP 31 2.542 -10.082 -2.659
208 HA TRP 31 HA TRP 31 3.320 -12.866 -3.458
209 1HB TRP 31 1HB TRP 31 0.949 -12.614 -3.433
210 2HB TRP 31 2HB TRP 31 1.037 -11.025 -4.188
211 HD1 TRP 31 HD1 TRP 31 3.188 -13.835 -5.540
212 HE1 TRP 31 HE1 TRP 31 2.339 -14.503 -7.882
213 HE3 TRP 31 HE3 TRP 31 -1.139 -11.128 -5.716
214 HZ2 TRP 31 HZ2 TRP 31 0.119 -13.960 -9.600
215 HZ3 TRP 31 HZ3 TRP 31 -2.600 -11.222 -7.714
216 HH2 TRP 31 HH2 TRP 31 -1.977 -12.633 -9.655
217 H HIS 32 H HIS 32 5.160 -12.719 -4.672
218 HA HIS 32 HA HIS 32 5.875 -10.358 -6.213
219 1HB HIS 32 1HB HIS 32 7.195 -12.419 -5.025
220 2HB HIS 32 2HB HIS 32 7.198 -12.971 -6.701
221 HD1 HIS 32 HD1 HIS 32 9.902 -12.255 -5.724
222 HD2 HIS 32 HD2 HIS 32 7.327 -9.348 -7.239
223 HE1 HIS 32 HE1 HIS 32 11.359 -10.312 -6.441
224 H ILE 33 H ILE 33 4.618 -9.957 -7.998
225 HA ILE 33 HA ILE 33 3.270 -11.904 -9.596
226 HB ILE 33 HB ILE 33 4.207 -9.102 -10.291
227 1HG1 ILE 33 1HG1 ILE 33 1.858 -10.121 -8.663
228 2HG1 ILE 33 2HG1 ILE 33 3.067 -8.925 -8.201
229 1HG2 ILE 33 1HG2 ILE 33 1.874 -10.792 -11.256
230 2HG2 ILE 33 2HG2 ILE 33 3.303 -10.362 -12.197
231 3HG2 ILE 33 3HG2 ILE 33 2.161 -9.112 -11.705
232 1HD1 ILE 33 1HD1 ILE 33 1.123 -8.530 -10.490
233 2HD1 ILE 33 2HD1 ILE 33 2.203 -7.326 -9.788
234 3HD1 ILE 33 3HD1 ILE 33 0.839 -7.940 -8.855
235 HA PRO 34 HA PRO 34 6.920 -11.328 -12.654
236 1HB PRO 34 1HB PRO 34 9.315 -10.489 -11.638
237 2HB PRO 34 2HB PRO 34 8.081 -9.381 -12.268
238 1HG PRO 34 1HG PRO 34 8.770 -10.049 -9.462
239 2HG PRO 34 2HG PRO 34 8.232 -8.516 -10.162
240 1HD PRO 34 1HD PRO 34 6.633 -10.235 -8.735
241 2HD PRO 34 2HD PRO 34 6.033 -9.026 -9.890
242 H THR 35 H THR 35 8.413 -12.065 -9.455
243 HA THR 35 HA THR 35 9.735 -14.440 -10.596
244 HB THR 35 HB THR 35 10.831 -14.495 -8.458
245 HG1 THR 35 HG1 THR 35 9.865 -13.851 -6.703
246 1HG2 THR 35 1HG2 THR 35 10.261 -11.562 -8.897
247 2HG2 THR 35 2HG2 THR 35 11.243 -12.499 -10.023
248 3HG2 THR 35 3HG2 THR 35 11.759 -12.312 -8.347
249 H GLY 36 H GLY 36 6.687 -13.780 -9.274
250 1HA GLY 36 1HA GLY 36 4.943 -15.182 -8.569
251 2HA GLY 36 2HA GLY 36 5.833 -16.499 -9.335
252 H THR 37 H THR 37 7.710 -14.869 -7.008
253 HA THR 37 HA THR 37 7.571 -17.206 -5.211
254 HB THR 37 HB THR 37 9.159 -14.674 -4.830
255 HG1 THR 37 HG1 THR 37 10.746 -15.976 -6.134
256 1HG2 THR 37 1HG2 THR 37 9.477 -16.156 -3.036
257 2HG2 THR 37 2HG2 THR 37 10.845 -16.491 -4.098
258 3HG2 THR 37 3HG2 THR 37 9.452 -17.573 -4.087
259 H THR 38 H THR 38 7.143 -16.937 -2.903
260 HA THR 38 HA THR 38 5.446 -14.540 -2.285
261 HB THR 38 HB THR 38 4.678 -16.640 -0.604
262 HG1 THR 38 HG1 THR 38 5.147 -18.389 -1.632
263 1HG2 THR 38 1HG2 THR 38 2.632 -16.214 -1.530
264 2HG2 THR 38 2HG2 THR 38 3.239 -16.340 -3.181
265 3HG2 THR 38 3HG2 THR 38 3.487 -14.855 -2.261
266 H GLN 39 H GLN 39 5.593 -13.762 -0.080
267 HA GLN 39 HA GLN 39 7.738 -14.928 1.626
268 1HB GLN 39 1HB GLN 39 7.626 -12.046 0.671
269 2HB GLN 39 2HB GLN 39 8.841 -12.728 1.754
270 1HG GLN 39 1HG GLN 39 9.195 -14.461 -0.190
271 2HG GLN 39 2HG GLN 39 8.439 -13.215 -1.184
272 1HE2 GLN 39 1HE2 GLN 39 11.435 -14.267 -0.174
273 2HE2 GLN 39 2HE2 GLN 39 12.294 -12.807 -0.285
274 H TRP 40 H TRP 40 7.601 -12.198 3.062
275 HA TRP 40 HA TRP 40 4.837 -12.143 4.097
276 1HB TRP 40 1HB TRP 40 7.236 -13.072 5.707
277 2HB TRP 40 2HB TRP 40 5.657 -12.705 6.403
278 HD1 TRP 40 HD1 TRP 40 7.519 -15.309 4.395
279 HE1 TRP 40 HE1 TRP 40 6.012 -17.376 4.072
280 HE3 TRP 40 HE3 TRP 40 3.099 -13.464 6.166
281 HZ2 TRP 40 HZ2 TRP 40 3.292 -18.145 4.508
282 HZ3 TRP 40 HZ3 TRP 40 1.068 -14.883 6.201
283 HH2 TRP 40 HH2 TRP 40 1.158 -17.220 5.374
284 H GLU 41 H GLU 41 8.207 -11.042 4.405
285 HA GLU 41 HA GLU 41 7.378 -8.559 5.780
286 1HB GLU 41 1HB GLU 41 10.058 -9.559 4.758
287 2HB GLU 41 2HB GLU 41 9.818 -8.199 5.854
288 1HG GLU 41 1HG GLU 41 8.673 -9.803 7.443
289 2HG GLU 41 2HG GLU 41 9.205 -11.115 6.390
290 HA PRO 42 HA PRO 42 7.246 -6.070 2.167
291 1HB PRO 42 1HB PRO 42 8.300 -3.715 3.079
292 2HB PRO 42 2HB PRO 42 6.684 -4.292 3.535
293 1HG PRO 42 1HG PRO 42 9.230 -4.395 5.067
294 2HG PRO 42 2HG PRO 42 7.580 -4.103 5.635
295 1HD PRO 42 1HD PRO 42 8.881 -6.496 5.892
296 2HD PRO 42 2HD PRO 42 7.112 -6.330 5.822
297 HA PRO 43 HA PRO 43 11.437 -6.794 0.714
298 1HB PRO 43 1HB PRO 43 10.810 -6.636 -1.947
299 2HB PRO 43 2HB PRO 43 10.517 -8.088 -0.970
300 1HG PRO 43 1HG PRO 43 8.614 -5.966 -1.822
301 2HG PRO 43 2HG PRO 43 8.373 -7.716 -1.698
302 1HD PRO 43 1HD PRO 43 7.472 -5.936 0.163
303 2HD PRO 43 2HD PRO 43 7.892 -7.622 0.539
304 H GLY 44 H GLY 44 12.944 -5.177 0.558
305 1HA GLY 44 1HA GLY 44 13.189 -3.118 -1.213
306 2HA GLY 44 2HA GLY 44 12.078 -2.434 -0.025
307 H ARG 45 H ARG 45 12.861 -1.917 2.048
308 HA ARG 45 HA ARG 45 15.842 -2.091 2.351
309 1HB ARG 45 1HB ARG 45 13.960 0.064 2.384
310 2HB ARG 45 2HB ARG 45 14.637 -0.088 4.006
311 1HG ARG 45 1HG ARG 45 16.808 0.340 3.290
312 2HG ARG 45 2HG ARG 45 16.484 -0.214 1.647
313 1HD ARG 45 1HD ARG 45 16.700 2.235 1.651
314 2HD ARG 45 2HD ARG 45 15.009 1.806 1.326
315 HE ARG 45 HE ARG 45 15.914 2.390 4.116
316 1HH1 ARG 45 1HH1 ARG 45 14.604 3.946 1.469
317 2HH1 ARG 45 2HH1 ARG 45 13.171 4.499 2.269
318 1HH2 ARG 45 1HH2 ARG 45 13.736 2.635 5.138
319 2HH2 ARG 45 2HH2 ARG 45 12.680 3.757 4.348
320 H ALA 46 H ALA 46 16.422 -3.500 3.955
321 HA ALA 46 HA ALA 46 14.666 -3.691 6.378
322 1HB ALA 46 1HB ALA 46 15.167 -6.154 6.305
323 2HB ALA 46 2HB ALA 46 15.970 -5.900 4.756
324 3HB ALA 46 3HB ALA 46 14.240 -5.593 4.913
325 H SER 47 H SER 47 16.482 -2.094 7.045
326 HA SER 47 HA SER 47 19.204 -2.776 7.294
327 1HB SER 47 1HB SER 47 18.869 -0.630 7.985
328 2HB SER 47 2HB SER 47 17.233 -0.973 8.542
329 HG SER 47 HG SER 47 19.696 -1.266 9.870
330 HA PRO 48 HA PRO 48 18.307 -4.763 11.541
331 1HB PRO 48 1HB PRO 48 15.703 -5.005 12.343
332 2HB PRO 48 2HB PRO 48 16.688 -3.568 12.680
333 1HG PRO 48 1HG PRO 48 14.613 -3.992 10.594
334 2HG PRO 48 2HG PRO 48 14.973 -2.548 11.552
335 1HD PRO 48 1HD PRO 48 15.756 -2.884 8.953
336 2HD PRO 48 2HD PRO 48 16.604 -1.845 10.118
337 H SER 49 H SER 49 18.888 -6.516 9.971
338 HA SER 49 HA SER 49 16.626 -8.336 9.266
339 1HB SER 49 1HB SER 49 18.718 -7.349 7.814
340 2HB SER 49 2HB SER 49 19.392 -8.884 8.358
341 HG SER 49 HG SER 49 16.770 -8.843 7.388
342 H GLN 50 H GLN 50 19.502 -8.075 11.252
343 HA GLN 50 HA GLN 50 19.950 -10.850 11.800
344 1HB GLN 50 1HB GLN 50 21.106 -9.888 13.814
345 2HB GLN 50 2HB GLN 50 21.550 -9.081 12.309
346 1HG GLN 50 1HG GLN 50 20.987 -7.155 13.351
347 2HG GLN 50 2HG GLN 50 19.314 -7.669 13.138
348 1HE2 GLN 50 1HE2 GLN 50 19.751 -6.107 15.353
349 2HE2 GLN 50 2HE2 GLN 50 19.741 -7.042 16.770
Start of MODEL 19
1 H ASP 1 H ASP 1 0.796 10.138 14.214
2 HA ASP 1 HA ASP 1 -1.469 10.670 16.043
3 1HB ASP 1 1HB ASP 1 0.464 12.443 15.920
4 2HB ASP 1 2HB ASP 1 -0.171 12.758 14.305
5 H SER 2 H SER 2 -1.088 8.803 13.788
6 HA SER 2 HA SER 2 -1.969 9.830 11.290
7 1HB SER 2 1HB SER 2 -2.325 7.538 10.781
8 2HB SER 2 2HB SER 2 -1.072 7.514 12.018
9 HG SER 2 HG SER 2 -2.580 6.084 12.703
10 H PHE 3 H PHE 3 -4.306 8.657 10.551
11 HA PHE 3 HA PHE 3 -6.380 9.584 12.500
12 1HB PHE 3 1HB PHE 3 -5.506 10.888 10.138
13 2HB PHE 3 2HB PHE 3 -7.091 10.205 9.771
14 HD1 PHE 3 HD1 PHE 3 -5.993 13.201 10.392
15 HD2 PHE 3 HD2 PHE 3 -8.322 10.271 12.501
16 HE1 PHE 3 HE1 PHE 3 -7.078 15.006 11.703
17 HE2 PHE 3 HE2 PHE 3 -9.407 12.076 13.810
18 HZ PHE 3 HZ PHE 3 -8.785 14.443 13.412
19 H TRP 4 H TRP 4 -6.629 8.524 9.108
20 HA TRP 4 HA TRP 4 -8.827 6.806 9.449
21 1HB TRP 4 1HB TRP 4 -6.544 7.059 7.518
22 2HB TRP 4 2HB TRP 4 -7.654 5.698 7.348
23 HD1 TRP 4 HD1 TRP 4 -9.126 8.867 8.725
24 HE1 TRP 4 HE1 TRP 4 -10.649 9.957 6.954
25 HE3 TRP 4 HE3 TRP 4 -7.926 6.022 4.658
26 HZ2 TRP 4 HZ2 TRP 4 -11.276 9.661 4.178
27 HZ3 TRP 4 HZ3 TRP 4 -9.000 6.446 2.466
28 HH2 TRP 4 HH2 TRP 4 -10.671 8.261 2.220
29 H ASN 5 H ASN 5 -8.740 4.341 9.182
30 HA ASN 5 HA ASN 5 -6.909 3.226 11.219
31 1HB ASN 5 1HB ASN 5 -9.532 2.713 10.091
32 2HB ASN 5 2HB ASN 5 -8.565 1.239 10.101
33 1HD2 ASN 5 1HD2 ASN 5 -10.851 1.697 11.859
34 2HD2 ASN 5 2HD2 ASN 5 -10.264 1.713 13.452
35 HA PRO 6 HA PRO 6 -4.172 1.495 8.236
36 1HB PRO 6 1HB PRO 6 -3.108 -0.524 9.746
37 2HB PRO 6 2HB PRO 6 -2.693 1.185 9.990
38 1HG PRO 6 1HG PRO 6 -4.552 -0.550 11.528
39 2HG PRO 6 2HG PRO 6 -3.461 0.721 12.097
40 1HD PRO 6 1HD PRO 6 -6.163 1.048 11.779
41 2HD PRO 6 2HD PRO 6 -4.985 2.377 11.716
42 H ASN 7 H ASN 7 -6.443 -0.585 9.964
43 HA ASN 7 HA ASN 7 -6.294 -2.617 7.779
44 1HB ASN 7 1HB ASN 7 -6.974 -2.528 10.666
45 2HB ASN 7 2HB ASN 7 -7.947 -3.631 9.693
46 1HD2 ASN 7 1HD2 ASN 7 -4.515 -2.795 10.384
47 2HD2 ASN 7 2HD2 ASN 7 -3.919 -4.358 10.092
48 H ALA 8 H ALA 8 -7.542 -0.235 7.006
49 HA ALA 8 HA ALA 8 -10.464 -0.583 7.369
50 1HB ALA 8 1HB ALA 8 -10.412 1.563 5.970
51 2HB ALA 8 2HB ALA 8 -8.654 1.466 6.070
52 3HB ALA 8 3HB ALA 8 -9.612 1.649 7.539
53 H PHE 9 H PHE 9 -9.060 0.562 4.369
54 HA PHE 9 HA PHE 9 -9.336 -1.896 2.864
55 1HB PHE 9 1HB PHE 9 -11.716 -0.830 3.645
56 2HB PHE 9 2HB PHE 9 -11.488 0.001 2.106
57 HD1 PHE 9 HD1 PHE 9 -11.830 -1.122 0.050
58 HD2 PHE 9 HD2 PHE 9 -11.522 -3.375 3.694
59 HE1 PHE 9 HE1 PHE 9 -12.509 -3.176 -1.163
60 HE2 PHE 9 HE2 PHE 9 -12.201 -5.429 2.483
61 HZ PHE 9 HZ PHE 9 -12.695 -5.330 0.054
62 H GLU 10 H GLU 10 -7.278 -0.967 2.107
63 HA GLU 10 HA GLU 10 -7.698 1.026 -0.076
64 1HB GLU 10 1HB GLU 10 -6.638 1.632 2.424
65 2HB GLU 10 2HB GLU 10 -5.206 1.389 1.421
66 1HG GLU 10 1HG GLU 10 -7.307 2.938 0.079
67 2HG GLU 10 2HG GLU 10 -6.687 3.719 1.535
68 H THR 11 H THR 11 -5.184 1.246 -1.041
69 HA THR 11 HA THR 11 -4.673 -1.324 -2.267
70 HB THR 11 HB THR 11 -2.679 0.911 -2.246
71 HG1 THR 11 HG1 THR 11 -4.226 2.275 -2.598
72 1HG2 THR 11 1HG2 THR 11 -2.052 -0.149 -4.123
73 2HG2 THR 11 2HG2 THR 11 -3.651 0.115 -4.820
74 3HG2 THR 11 3HG2 THR 11 -3.333 -1.336 -3.867
75 H ASP 12 H ASP 12 -2.045 -1.815 -2.295
76 HA ASP 12 HA ASP 12 -1.465 -3.023 0.236
77 1HB ASP 12 1HB ASP 12 0.743 -3.421 -0.870
78 2HB ASP 12 2HB ASP 12 -0.616 -3.815 -1.922
79 H SER 13 H SER 13 1.026 -2.464 1.037
80 HA SER 13 HA SER 13 0.805 0.256 2.154
81 1HB SER 13 1HB SER 13 3.017 -0.685 3.250
82 2HB SER 13 2HB SER 13 1.454 -1.337 3.733
83 HG SER 13 HG SER 13 2.383 -3.151 3.164
84 H ASP 14 H ASP 14 1.204 0.480 -0.579
85 HA ASP 14 HA ASP 14 2.624 1.504 -2.163
86 1HB ASP 14 1HB ASP 14 3.904 2.245 0.484
87 2HB ASP 14 2HB ASP 14 4.387 2.954 -1.057
88 H LEU 15 H LEU 15 3.106 -1.215 -1.949
89 HA LEU 15 HA LEU 15 5.833 -1.904 -1.306
90 1HB LEU 15 1HB LEU 15 3.489 -3.084 -2.740
91 2HB LEU 15 2HB LEU 15 5.063 -3.827 -3.010
92 HG LEU 15 HG LEU 15 3.766 -4.824 -1.085
93 1HD1 LEU 15 1HD1 LEU 15 6.046 -5.289 -0.943
94 2HD1 LEU 15 2HD1 LEU 15 5.782 -4.421 0.569
95 3HD1 LEU 15 3HD1 LEU 15 6.490 -3.587 -0.814
96 1HD2 LEU 15 1HD2 LEU 15 4.295 -2.066 0.067
97 2HD2 LEU 15 2HD2 LEU 15 3.776 -3.454 1.023
98 3HD2 LEU 15 3HD2 LEU 15 2.720 -2.800 -0.229
99 HA PRO 16 HA PRO 16 8.054 -0.748 -4.907
100 1HB PRO 16 1HB PRO 16 9.403 -3.026 -5.627
101 2HB PRO 16 2HB PRO 16 9.838 -2.043 -4.213
102 1HG PRO 16 1HG PRO 16 8.240 -4.558 -4.344
103 2HG PRO 16 2HG PRO 16 9.488 -4.078 -3.182
104 1HD PRO 16 1HD PRO 16 6.856 -3.927 -2.616
105 2HD PRO 16 2HD PRO 16 8.034 -2.764 -1.966
106 H ALA 17 H ALA 17 8.707 -2.238 -7.219
107 HA ALA 17 HA ALA 17 6.063 -2.330 -8.532
108 1HB ALA 17 1HB ALA 17 8.078 -2.923 -10.371
109 2HB ALA 17 2HB ALA 17 8.864 -1.862 -9.202
110 3HB ALA 17 3HB ALA 17 7.411 -1.323 -10.045
111 H GLY 18 H GLY 18 5.012 -4.214 -8.973
112 1HA GLY 18 1HA GLY 18 4.809 -6.468 -9.718
113 2HA GLY 18 2HA GLY 18 6.536 -6.690 -9.464
114 H TRP 19 H TRP 19 5.755 -5.278 -6.670
115 HA TRP 19 HA TRP 19 5.324 -7.918 -5.357
116 1HB TRP 19 1HB TRP 19 6.483 -5.251 -4.626
117 2HB TRP 19 2HB TRP 19 5.896 -6.299 -3.333
118 HD1 TRP 19 HD1 TRP 19 8.784 -5.794 -5.624
119 HE1 TRP 19 HE1 TRP 19 10.481 -7.716 -5.356
120 HE3 TRP 19 HE3 TRP 19 5.998 -9.055 -2.848
121 HZ2 TRP 19 HZ2 TRP 19 10.636 -10.296 -4.130
122 HZ3 TRP 19 HZ3 TRP 19 6.945 -11.237 -2.148
123 HH2 TRP 19 HH2 TRP 19 9.258 -11.859 -2.785
124 H MET 20 H MET 20 3.378 -8.396 -4.440
125 HA MET 20 HA MET 20 1.364 -6.190 -4.176
126 1HB MET 20 1HB MET 20 0.918 -9.170 -4.479
127 2HB MET 20 2HB MET 20 -0.264 -7.886 -4.712
128 1HG MET 20 1HG MET 20 2.211 -8.350 -6.402
129 2HG MET 20 2HG MET 20 0.548 -8.687 -6.886
130 1HE MET 20 1HE MET 20 -1.343 -6.579 -6.365
131 2HE MET 20 2HE MET 20 -0.930 -7.240 -7.945
132 3HE MET 20 3HE MET 20 -1.066 -5.496 -7.737
133 H ARG 21 H ARG 21 -0.247 -6.560 -2.409
134 HA ARG 21 HA ARG 21 0.977 -7.943 -0.042
135 1HB ARG 21 1HB ARG 21 1.090 -5.589 0.307
136 2HB ARG 21 2HB ARG 21 -0.513 -5.334 -0.383
137 1HG ARG 21 1HG ARG 21 -1.531 -6.532 1.514
138 2HG ARG 21 2HG ARG 21 0.070 -6.808 2.202
139 1HD ARG 21 1HD ARG 21 0.233 -4.666 2.988
140 2HD ARG 21 2HD ARG 21 -0.536 -3.980 1.543
141 HE ARG 21 HE ARG 21 -2.516 -5.480 2.896
142 1HH1 ARG 21 1HH1 ARG 21 -0.417 -3.590 4.609
143 2HH1 ARG 21 2HH1 ARG 21 -1.574 -2.401 5.108
144 1HH2 ARG 21 1HH2 ARG 21 -4.074 -3.570 3.009
145 2HH2 ARG 21 2HH2 ARG 21 -3.645 -2.391 4.202
146 H VAL 22 H VAL 22 -0.242 -9.835 0.099
147 HA VAL 22 HA VAL 22 -3.202 -9.632 -0.286
148 HB VAL 22 HB VAL 22 -1.461 -12.094 -0.077
149 1HG1 VAL 22 1HG1 VAL 22 -3.508 -12.578 -1.846
150 2HG1 VAL 22 2HG1 VAL 22 -4.277 -11.498 -0.684
151 3HG1 VAL 22 3HG1 VAL 22 -3.539 -13.002 -0.134
152 1HG2 VAL 22 1HG2 VAL 22 -1.741 -11.922 -2.696
153 2HG2 VAL 22 2HG2 VAL 22 -0.446 -11.035 -1.893
154 3HG2 VAL 22 3HG2 VAL 22 -1.927 -10.200 -2.362
155 H GLN 23 H GLN 23 -4.531 -10.958 1.227
156 HA GLN 23 HA GLN 23 -3.345 -11.055 3.982
157 1HB GLN 23 1HB GLN 23 -5.603 -9.672 2.845
158 2HB GLN 23 2HB GLN 23 -6.175 -10.815 4.061
159 1HG GLN 23 1HG GLN 23 -3.819 -9.036 4.642
160 2HG GLN 23 2HG GLN 23 -5.463 -8.428 4.836
161 1HE2 GLN 23 1HE2 GLN 23 -5.384 -8.365 7.176
162 2HE2 GLN 23 2HE2 GLN 23 -5.311 -9.779 8.112
163 H ASP 24 H ASP 24 -2.820 -13.352 3.638
164 HA ASP 24 HA ASP 24 -5.067 -15.199 3.095
165 1HB ASP 24 1HB ASP 24 -2.239 -15.124 2.775
166 2HB ASP 24 2HB ASP 24 -2.625 -16.490 3.820
167 H THR 25 H THR 25 -5.119 -17.203 4.615
168 HA THR 25 HA THR 25 -5.964 -16.505 7.201
169 HB THR 25 HB THR 25 -5.447 -19.000 7.623
170 HG1 THR 25 HG1 THR 25 -4.590 -20.110 5.980
171 1HG2 THR 25 1HG2 THR 25 -7.445 -19.473 6.645
172 2HG2 THR 25 2HG2 THR 25 -6.923 -18.881 5.068
173 3HG2 THR 25 3HG2 THR 25 -7.478 -17.745 6.297
174 H SER 26 H SER 26 -2.770 -17.831 6.250
175 HA SER 26 HA SER 26 -1.520 -17.839 8.769
176 1HB SER 26 1HB SER 26 -0.653 -17.458 5.921
177 2HB SER 26 2HB SER 26 0.540 -17.285 7.204
178 HG SER 26 HG SER 26 -0.642 -19.410 7.891
179 H GLY 27 H GLY 27 -2.161 -15.135 6.596
180 1HA GLY 27 1HA GLY 27 -2.373 -13.027 8.217
181 2HA GLY 27 2HA GLY 27 -0.633 -13.289 8.341
182 H THR 28 H THR 28 -1.080 -10.918 7.357
183 HA THR 28 HA THR 28 -1.569 -10.865 4.477
184 HB THR 28 HB THR 28 -0.402 -8.804 6.375
185 HG1 THR 28 HG1 THR 28 -2.482 -8.187 6.706
186 1HG2 THR 28 1HG2 THR 28 -0.100 -8.383 3.917
187 2HG2 THR 28 2HG2 THR 28 -1.099 -7.176 4.727
188 3HG2 THR 28 3HG2 THR 28 -1.854 -8.431 3.744
189 H TYR 29 H TYR 29 -0.015 -11.653 3.089
190 HA TYR 29 HA TYR 29 2.858 -11.233 3.838
191 1HB TYR 29 1HB TYR 29 3.278 -13.247 2.531
192 2HB TYR 29 2HB TYR 29 1.980 -13.575 3.677
193 HD1 TYR 29 HD1 TYR 29 2.829 -13.024 0.138
194 HD2 TYR 29 HD2 TYR 29 -0.334 -13.840 2.928
195 HE1 TYR 29 HE1 TYR 29 1.334 -13.653 -1.739
196 HE2 TYR 29 HE2 TYR 29 -1.829 -14.468 1.051
197 HH TYR 29 HH TYR 29 -1.182 -13.727 -2.139
198 H TYR 30 H TYR 30 3.886 -11.833 1.270
199 HA TYR 30 HA TYR 30 2.839 -9.559 -0.385
200 1HB TYR 30 1HB TYR 30 5.646 -10.392 0.379
201 2HB TYR 30 2HB TYR 30 5.331 -9.300 -0.970
202 HD1 TYR 30 HD1 TYR 30 6.029 -9.434 2.465
203 HD2 TYR 30 HD2 TYR 30 3.586 -7.343 -0.381
204 HE1 TYR 30 HE1 TYR 30 5.807 -7.539 4.049
205 HE2 TYR 30 HE2 TYR 30 3.362 -5.447 1.203
206 HH TYR 30 HH TYR 30 4.175 -5.671 4.460
207 H TRP 31 H TRP 31 2.258 -10.241 -2.409
208 HA TRP 31 HA TRP 31 3.198 -12.911 -3.338
209 1HB TRP 31 1HB TRP 31 0.826 -12.592 -3.287
210 2HB TRP 31 2HB TRP 31 0.950 -11.032 -4.097
211 HD1 TRP 31 HD1 TRP 31 3.040 -13.949 -5.323
212 HE1 TRP 31 HE1 TRP 31 2.197 -14.676 -7.649
213 HE3 TRP 31 HE3 TRP 31 -1.200 -11.121 -5.651
214 HZ2 TRP 31 HZ2 TRP 31 0.015 -14.131 -9.414
215 HZ3 TRP 31 HZ3 TRP 31 -2.641 -11.244 -7.664
216 HH2 TRP 31 HH2 TRP 31 -2.040 -12.744 -9.545
217 H HIS 32 H HIS 32 4.951 -12.858 -4.652
218 HA HIS 32 HA HIS 32 5.712 -10.447 -6.133
219 1HB HIS 32 1HB HIS 32 7.058 -12.456 -4.925
220 2HB HIS 32 2HB HIS 32 7.041 -13.074 -6.576
221 HD1 HIS 32 HD1 HIS 32 9.763 -12.354 -5.768
222 HD2 HIS 32 HD2 HIS 32 7.139 -9.427 -7.152
223 HE1 HIS 32 HE1 HIS 32 11.198 -10.422 -6.556
224 H ILE 33 H ILE 33 4.528 -10.045 -7.939
225 HA ILE 33 HA ILE 33 3.158 -11.989 -9.534
226 HB ILE 33 HB ILE 33 4.070 -9.163 -10.158
227 1HG1 ILE 33 1HG1 ILE 33 1.632 -10.248 -8.709
228 2HG1 ILE 33 2HG1 ILE 33 2.869 -9.175 -8.056
229 1HG2 ILE 33 1HG2 ILE 33 2.873 -10.989 -11.836
230 2HG2 ILE 33 2HG2 ILE 33 2.725 -9.239 -11.990
231 3HG2 ILE 33 3HG2 ILE 33 1.477 -10.158 -11.149
232 1HD1 ILE 33 1HD1 ILE 33 2.180 -7.369 -9.465
233 2HD1 ILE 33 2HD1 ILE 33 0.703 -8.041 -8.775
234 3HD1 ILE 33 3HD1 ILE 33 1.157 -8.429 -10.434
235 HA PRO 34 HA PRO 34 6.793 -11.372 -12.596
236 1HB PRO 34 1HB PRO 34 9.193 -10.551 -11.577
237 2HB PRO 34 2HB PRO 34 7.960 -9.432 -12.189
238 1HG PRO 34 1HG PRO 34 8.660 -10.132 -9.396
239 2HG PRO 34 2HG PRO 34 8.117 -8.592 -10.074
240 1HD PRO 34 1HD PRO 34 6.527 -10.337 -8.662
241 2HD PRO 34 2HD PRO 34 5.920 -9.107 -9.791
242 H THR 35 H THR 35 8.353 -12.120 -9.433
243 HA THR 35 HA THR 35 9.591 -14.527 -10.603
244 HB THR 35 HB THR 35 10.820 -14.560 -8.564
245 HG1 THR 35 HG1 THR 35 8.605 -13.121 -7.588
246 1HG2 THR 35 1HG2 THR 35 10.270 -11.629 -8.618
247 2HG2 THR 35 2HG2 THR 35 10.849 -12.378 -10.106
248 3HG2 THR 35 3HG2 THR 35 11.813 -12.483 -8.632
249 H GLY 36 H GLY 36 6.642 -13.763 -9.080
250 1HA GLY 36 1HA GLY 36 4.871 -15.134 -8.376
251 2HA GLY 36 2HA GLY 36 5.734 -16.488 -9.106
252 H THR 37 H THR 37 7.744 -14.899 -6.917
253 HA THR 37 HA THR 37 7.578 -17.136 -5.020
254 HB THR 37 HB THR 37 9.170 -14.625 -4.617
255 HG1 THR 37 HG1 THR 37 10.699 -15.582 -6.115
256 1HG2 THR 37 1HG2 THR 37 9.102 -17.108 -3.412
257 2HG2 THR 37 2HG2 THR 37 10.432 -15.956 -3.305
258 3HG2 THR 37 3HG2 THR 37 10.474 -17.241 -4.511
259 H THR 38 H THR 38 7.106 -16.836 -2.738
260 HA THR 38 HA THR 38 5.434 -14.403 -2.160
261 HB THR 38 HB THR 38 4.639 -16.420 -0.427
262 HG1 THR 38 HG1 THR 38 4.349 -18.193 -1.911
263 1HG2 THR 38 1HG2 THR 38 3.266 -16.374 -3.041
264 2HG2 THR 38 2HG2 THR 38 3.500 -14.791 -2.298
265 3HG2 THR 38 3HG2 THR 38 2.629 -16.055 -1.428
266 H GLN 39 H GLN 39 5.663 -13.520 -0.015
267 HA GLN 39 HA GLN 39 7.822 -14.684 1.691
268 1HB GLN 39 1HB GLN 39 7.627 -11.800 0.759
269 2HB GLN 39 2HB GLN 39 8.877 -12.463 1.813
270 1HG GLN 39 1HG GLN 39 9.086 -14.194 -0.243
271 2HG GLN 39 2HG GLN 39 8.518 -12.774 -1.122
272 1HE2 GLN 39 1HE2 GLN 39 11.314 -14.257 0.100
273 2HE2 GLN 39 2HE2 GLN 39 12.345 -12.910 0.066
274 H TRP 40 H TRP 40 7.689 -12.023 3.184
275 HA TRP 40 HA TRP 40 4.933 -12.026 4.267
276 1HB TRP 40 1HB TRP 40 7.406 -13.065 5.642
277 2HB TRP 40 2HB TRP 40 6.078 -12.394 6.590
278 HD1 TRP 40 HD1 TRP 40 7.214 -15.534 5.100
279 HE1 TRP 40 HE1 TRP 40 5.306 -17.267 5.021
280 HE3 TRP 40 HE3 TRP 40 3.224 -12.498 6.073
281 HZ2 TRP 40 HZ2 TRP 40 2.464 -17.353 5.330
282 HZ3 TRP 40 HZ3 TRP 40 0.930 -13.432 6.175
283 HH2 TRP 40 HH2 TRP 40 0.546 -15.853 5.805
284 H GLU 41 H GLU 41 8.279 -10.828 4.549
285 HA GLU 41 HA GLU 41 7.329 -8.313 5.805
286 1HB GLU 41 1HB GLU 41 9.932 -9.719 5.300
287 2HB GLU 41 2HB GLU 41 9.954 -7.988 5.624
288 1HG GLU 41 1HG GLU 41 8.197 -9.042 7.535
289 2HG GLU 41 2HG GLU 41 9.533 -10.192 7.471
290 HA PRO 42 HA PRO 42 7.550 -5.894 2.155
291 1HB PRO 42 1HB PRO 42 8.860 -3.634 2.974
292 2HB PRO 42 2HB PRO 42 7.193 -4.014 3.453
293 1HG PRO 42 1HG PRO 42 9.725 -4.354 4.981
294 2HG PRO 42 2HG PRO 42 8.128 -3.836 5.543
295 1HD PRO 42 1HD PRO 42 9.110 -6.355 5.911
296 2HD PRO 42 2HD PRO 42 7.375 -5.983 5.794
297 HA PRO 43 HA PRO 43 11.573 -7.006 0.566
298 1HB PRO 43 1HB PRO 43 11.013 -6.456 -2.055
299 2HB PRO 43 2HB PRO 43 10.459 -7.930 -1.238
300 1HG PRO 43 1HG PRO 43 8.965 -5.433 -1.854
301 2HG PRO 43 2HG PRO 43 8.419 -7.117 -1.899
302 1HD PRO 43 1HD PRO 43 7.840 -5.385 0.135
303 2HD PRO 43 2HD PRO 43 7.921 -7.150 0.330
304 H GLY 44 H GLY 44 13.060 -5.429 1.170
305 1HA GLY 44 1HA GLY 44 14.454 -3.561 0.791
306 2HA GLY 44 2HA GLY 44 13.480 -3.175 -0.628
307 H ARG 45 H ARG 45 14.399 -1.309 1.428
308 HA ARG 45 HA ARG 45 11.780 -0.510 2.651
309 1HB ARG 45 1HB ARG 45 13.652 -1.044 4.191
310 2HB ARG 45 2HB ARG 45 14.640 0.183 3.399
311 1HG ARG 45 1HG ARG 45 13.808 1.596 4.965
312 2HG ARG 45 2HG ARG 45 12.343 1.584 3.983
313 1HD ARG 45 1HD ARG 45 12.140 -0.748 5.515
314 2HD ARG 45 2HD ARG 45 12.766 0.470 6.645
315 HE ARG 45 HE ARG 45 10.874 1.960 5.633
316 1HH1 ARG 45 1HH1 ARG 45 10.306 -0.357 7.704
317 2HH1 ARG 45 2HH1 ARG 45 8.797 -0.928 7.073
318 1HH2 ARG 45 1HH2 ARG 45 9.121 0.752 4.057
319 2HH2 ARG 45 2HH2 ARG 45 8.126 -0.299 5.008
320 H ALA 46 H ALA 46 11.016 1.578 2.228
321 HA ALA 46 HA ALA 46 10.825 3.646 1.098
322 1HB ALA 46 1HB ALA 46 13.672 4.004 0.627
323 2HB ALA 46 2HB ALA 46 13.373 3.407 2.259
324 3HB ALA 46 3HB ALA 46 12.607 4.898 1.712
325 H SER 47 H SER 47 12.096 4.763 -1.014
326 HA SER 47 HA SER 47 11.988 2.627 -3.117
327 1HB SER 47 1HB SER 47 10.469 4.900 -2.751
328 2HB SER 47 2HB SER 47 11.689 5.453 -3.895
329 HG SER 47 HG SER 47 10.120 3.098 -4.160
330 HA PRO 48 HA PRO 48 16.317 3.880 -3.374
331 1HB PRO 48 1HB PRO 48 17.095 1.707 -4.844
332 2HB PRO 48 2HB PRO 48 16.892 1.657 -3.082
333 1HG PRO 48 1HG PRO 48 15.066 0.698 -5.225
334 2HG PRO 48 2HG PRO 48 15.429 -0.016 -3.647
335 1HD PRO 48 1HD PRO 48 13.158 1.407 -4.181
336 2HD PRO 48 2HD PRO 48 13.882 1.272 -2.564
337 H SER 49 H SER 49 17.710 3.258 -5.745
338 HA SER 49 HA SER 49 16.033 4.402 -7.941
339 1HB SER 49 1HB SER 49 18.702 5.401 -6.903
340 2HB SER 49 2HB SER 49 17.943 5.976 -8.383
341 HG SER 49 HG SER 49 16.805 6.053 -5.778
342 H GLN 50 H GLN 50 17.535 4.412 -10.034
343 HA GLN 50 HA GLN 50 18.675 3.077 -11.617
344 1HB GLN 50 1HB GLN 50 20.133 2.177 -9.112
345 2HB GLN 50 2HB GLN 50 20.756 2.138 -10.762
346 1HG GLN 50 1HG GLN 50 20.680 4.571 -10.893
347 2HG GLN 50 2HG GLN 50 19.935 4.663 -9.297
348 1HE2 GLN 50 1HE2 GLN 50 22.956 4.509 -10.963
349 2HE2 GLN 50 2HE2 GLN 50 23.948 4.327 -9.598
Start of MODEL 20
1 H ASP 1 H ASP 1 -27.577 0.387 -9.784
2 HA ASP 1 HA ASP 1 -26.689 3.166 -9.432
3 1HB ASP 1 1HB ASP 1 -27.489 0.738 -7.907
4 2HB ASP 1 2HB ASP 1 -26.271 1.767 -7.152
5 H SER 2 H SER 2 -24.637 2.580 -7.614
6 HA SER 2 HA SER 2 -22.374 2.195 -9.342
7 1HB SER 2 1HB SER 2 -21.227 2.056 -7.030
8 2HB SER 2 2HB SER 2 -22.136 3.521 -7.387
9 HG SER 2 HG SER 2 -23.127 1.250 -5.994
10 H PHE 3 H PHE 3 -24.363 -0.026 -7.525
11 HA PHE 3 HA PHE 3 -24.310 -2.388 -7.422
12 1HB PHE 3 1HB PHE 3 -23.171 -1.526 -9.882
13 2HB PHE 3 2HB PHE 3 -22.175 -2.856 -9.291
14 HD1 PHE 3 HD1 PHE 3 -25.781 -1.898 -9.690
15 HD2 PHE 3 HD2 PHE 3 -22.863 -5.051 -9.692
16 HE1 PHE 3 HE1 PHE 3 -27.530 -3.517 -10.377
17 HE2 PHE 3 HE2 PHE 3 -24.612 -6.670 -10.379
18 HZ PHE 3 HZ PHE 3 -26.946 -5.903 -10.721
19 H TRP 4 H TRP 4 -23.414 -2.712 -5.358
20 HA TRP 4 HA TRP 4 -21.755 -3.206 -3.744
21 1HB TRP 4 1HB TRP 4 -21.114 -4.472 -6.332
22 2HB TRP 4 2HB TRP 4 -19.748 -4.366 -5.222
23 HD1 TRP 4 HD1 TRP 4 -22.511 -6.561 -6.028
24 HE1 TRP 4 HE1 TRP 4 -23.051 -8.165 -4.083
25 HE3 TRP 4 HE3 TRP 4 -19.920 -4.285 -2.260
26 HZ2 TRP 4 HZ2 TRP 4 -22.462 -8.445 -1.298
27 HZ3 TRP 4 HZ3 TRP 4 -19.926 -5.241 0.025
28 HH2 TRP 4 HH2 TRP 4 -21.193 -7.316 0.512
29 H ASN 5 H ASN 5 -18.962 -3.200 -3.927
30 HA ASN 5 HA ASN 5 -18.429 -0.288 -4.240
31 1HB ASN 5 1HB ASN 5 -17.991 -1.798 -2.159
32 2HB ASN 5 2HB ASN 5 -16.591 -2.369 -3.067
33 1HD2 ASN 5 1HD2 ASN 5 -17.908 0.346 -1.281
34 2HD2 ASN 5 2HD2 ASN 5 -16.534 1.336 -1.396
35 HA PRO 6 HA PRO 6 -16.315 -1.452 -8.017
36 1HB PRO 6 1HB PRO 6 -15.712 1.104 -8.785
37 2HB PRO 6 2HB PRO 6 -17.318 0.381 -9.010
38 1HG PRO 6 1HG PRO 6 -16.374 2.281 -6.927
39 2HG PRO 6 2HG PRO 6 -17.934 2.200 -7.757
40 1HD PRO 6 1HD PRO 6 -17.510 1.279 -5.216
41 2HD PRO 6 2HD PRO 6 -18.775 0.656 -6.298
42 H ASN 7 H ASN 7 -15.103 0.747 -5.531
43 HA ASN 7 HA ASN 7 -12.332 0.697 -6.406
44 1HB ASN 7 1HB ASN 7 -13.940 2.123 -4.645
45 2HB ASN 7 2HB ASN 7 -12.873 1.218 -3.571
46 1HD2 ASN 7 1HD2 ASN 7 -10.751 1.997 -3.336
47 2HD2 ASN 7 2HD2 ASN 7 -10.068 3.217 -4.298
48 H ALA 8 H ALA 8 -14.327 -1.318 -4.324
49 HA ALA 8 HA ALA 8 -13.846 -3.418 -3.342
50 1HB ALA 8 1HB ALA 8 -12.131 -3.046 -5.597
51 2HB ALA 8 2HB ALA 8 -12.662 -4.568 -4.882
52 3HB ALA 8 3HB ALA 8 -11.178 -3.798 -4.318
53 H PHE 9 H PHE 9 -11.462 -4.414 -2.300
54 HA PHE 9 HA PHE 9 -11.062 -2.674 0.012
55 1HB PHE 9 1HB PHE 9 -10.398 -5.409 -0.911
56 2HB PHE 9 2HB PHE 9 -9.248 -4.706 0.226
57 HD1 PHE 9 HD1 PHE 9 -12.416 -6.328 -0.132
58 HD2 PHE 9 HD2 PHE 9 -10.221 -3.611 2.368
59 HE1 PHE 9 HE1 PHE 9 -13.984 -6.780 1.736
60 HE2 PHE 9 HE2 PHE 9 -11.789 -4.063 4.235
61 HZ PHE 9 HZ PHE 9 -13.671 -5.648 3.919
62 H GLU 10 H GLU 10 -9.264 -1.388 0.430
63 HA GLU 10 HA GLU 10 -7.662 -0.306 -1.594
64 1HB GLU 10 1HB GLU 10 -7.985 -0.111 1.175
65 2HB GLU 10 2HB GLU 10 -6.287 -0.544 0.974
66 1HG GLU 10 1HG GLU 10 -5.794 1.385 -0.232
67 2HG GLU 10 2HG GLU 10 -7.460 1.594 -0.773
68 H THR 11 H THR 11 -5.550 -0.788 -2.373
69 HA THR 11 HA THR 11 -4.784 -3.625 -2.259
70 HB THR 11 HB THR 11 -3.137 -1.497 -3.564
71 HG1 THR 11 HG1 THR 11 -4.658 -1.028 -5.008
72 1HG2 THR 11 1HG2 THR 11 -3.549 -4.323 -3.757
73 2HG2 THR 11 2HG2 THR 11 -2.389 -3.325 -4.634
74 3HG2 THR 11 3HG2 THR 11 -4.003 -3.587 -5.295
75 H ASP 12 H ASP 12 -1.986 -3.385 -2.445
76 HA ASP 12 HA ASP 12 -1.115 -3.486 0.230
77 1HB ASP 12 1HB ASP 12 1.142 -3.255 -0.826
78 2HB ASP 12 2HB ASP 12 0.106 -4.392 -1.688
79 H SER 13 H SER 13 1.033 -1.808 0.580
80 HA SER 13 HA SER 13 -0.282 0.867 0.836
81 1HB SER 13 1HB SER 13 1.963 0.836 2.445
82 2HB SER 13 2HB SER 13 0.337 0.422 2.978
83 HG SER 13 HG SER 13 0.787 -1.703 2.711
84 H ASP 14 H ASP 14 3.167 0.207 1.073
85 HA ASP 14 HA ASP 14 3.609 1.814 -1.422
86 1HB ASP 14 1HB ASP 14 4.851 1.991 1.333
87 2HB ASP 14 2HB ASP 14 5.585 2.747 -0.081
88 H LEU 15 H LEU 15 3.699 -0.771 -1.920
89 HA LEU 15 HA LEU 15 6.311 -1.975 -1.277
90 1HB LEU 15 1HB LEU 15 3.804 -2.732 -2.767
91 2HB LEU 15 2HB LEU 15 5.257 -3.716 -2.933
92 HG LEU 15 HG LEU 15 3.893 -4.619 -1.129
93 1HD1 LEU 15 1HD1 LEU 15 6.573 -3.840 -0.905
94 2HD1 LEU 15 2HD1 LEU 15 5.743 -5.034 0.094
95 3HD1 LEU 15 3HD1 LEU 15 5.842 -3.355 0.625
96 1HD2 LEU 15 1HD2 LEU 15 2.872 -3.340 0.476
97 2HD2 LEU 15 2HD2 LEU 15 3.055 -2.066 -0.730
98 3HD2 LEU 15 3HD2 LEU 15 4.224 -2.214 0.582
99 HA PRO 16 HA PRO 16 8.428 -0.803 -4.935
100 1HB PRO 16 1HB PRO 16 9.610 -3.137 -5.750
101 2HB PRO 16 2HB PRO 16 10.153 -2.224 -4.327
102 1HG PRO 16 1HG PRO 16 8.423 -4.646 -4.473
103 2HG PRO 16 2HG PRO 16 9.712 -4.249 -3.325
104 1HD PRO 16 1HD PRO 16 7.079 -3.984 -2.733
105 2HD PRO 16 2HD PRO 16 8.337 -2.944 -2.029
106 H ALA 17 H ALA 17 8.899 -2.222 -7.308
107 HA ALA 17 HA ALA 17 6.152 -2.332 -8.440
108 1HB ALA 17 1HB ALA 17 7.162 -1.510 -10.321
109 2HB ALA 17 2HB ALA 17 8.546 -2.592 -10.164
110 3HB ALA 17 3HB ALA 17 8.471 -1.110 -9.211
111 H GLY 18 H GLY 18 5.241 -4.328 -8.634
112 1HA GLY 18 1HA GLY 18 5.275 -6.512 -9.752
113 2HA GLY 18 2HA GLY 18 7.001 -6.610 -9.411
114 H TRP 19 H TRP 19 5.456 -5.326 -6.727
115 HA TRP 19 HA TRP 19 5.266 -8.046 -5.471
116 1HB TRP 19 1HB TRP 19 6.462 -5.422 -4.655
117 2HB TRP 19 2HB TRP 19 5.834 -6.485 -3.396
118 HD1 TRP 19 HD1 TRP 19 8.732 -6.016 -5.697
119 HE1 TRP 19 HE1 TRP 19 10.398 -7.966 -5.436
120 HE3 TRP 19 HE3 TRP 19 5.916 -9.212 -2.880
121 HZ2 TRP 19 HZ2 TRP 19 10.519 -10.540 -4.200
122 HZ3 TRP 19 HZ3 TRP 19 6.829 -11.406 -2.177
123 HH2 TRP 19 HH2 TRP 19 9.126 -12.073 -2.833
124 H MET 20 H MET 20 3.407 -8.445 -4.256
125 HA MET 20 HA MET 20 1.388 -6.231 -4.118
126 1HB MET 20 1HB MET 20 0.893 -9.211 -4.312
127 2HB MET 20 2HB MET 20 -0.267 -7.915 -4.585
128 1HG MET 20 1HG MET 20 2.009 -7.512 -6.294
129 2HG MET 20 2HG MET 20 1.413 -9.159 -6.500
130 1HE MET 20 1HE MET 20 -0.063 -6.028 -5.290
131 2HE MET 20 2HE MET 20 -1.415 -5.614 -6.342
132 3HE MET 20 3HE MET 20 0.228 -5.208 -6.830
133 H ARG 21 H ARG 21 -0.198 -6.535 -2.306
134 HA ARG 21 HA ARG 21 1.077 -7.840 0.080
135 1HB ARG 21 1HB ARG 21 0.971 -5.274 -0.113
136 2HB ARG 21 2HB ARG 21 -0.776 -5.445 0.072
137 1HG ARG 21 1HG ARG 21 -0.414 -6.655 2.208
138 2HG ARG 21 2HG ARG 21 1.325 -6.419 2.031
139 1HD ARG 21 1HD ARG 21 1.066 -3.998 2.146
140 2HD ARG 21 2HD ARG 21 -0.702 -4.158 2.164
141 HE ARG 21 HE ARG 21 0.949 -5.445 4.298
142 1HH1 ARG 21 1HH1 ARG 21 -2.182 -4.837 3.528
143 2HH1 ARG 21 2HH1 ARG 21 -2.582 -3.939 4.954
144 1HH2 ARG 21 1HH2 ARG 21 0.706 -3.652 6.018
145 2HH2 ARG 21 2HH2 ARG 21 -0.948 -3.269 6.364
146 H VAL 22 H VAL 22 -0.123 -9.728 0.309
147 HA VAL 22 HA VAL 22 -3.100 -9.527 0.029
148 HB VAL 22 HB VAL 22 -1.375 -12.005 0.056
149 1HG1 VAL 22 1HG1 VAL 22 -4.177 -11.298 -0.774
150 2HG1 VAL 22 2HG1 VAL 22 -3.622 -12.634 0.235
151 3HG1 VAL 22 3HG1 VAL 22 -3.360 -12.677 -1.509
152 1HG2 VAL 22 1HG2 VAL 22 -1.520 -11.814 -2.479
153 2HG2 VAL 22 2HG2 VAL 22 -0.455 -10.639 -1.704
154 3HG2 VAL 22 3HG2 VAL 22 -2.062 -10.153 -2.244
155 H GLN 23 H GLN 23 -4.365 -10.832 1.563
156 HA GLN 23 HA GLN 23 -3.022 -11.139 4.229
157 1HB GLN 23 1HB GLN 23 -5.292 -9.605 3.311
158 2HB GLN 23 2HB GLN 23 -5.816 -10.774 4.525
159 1HG GLN 23 1HG GLN 23 -4.543 -9.823 6.196
160 2HG GLN 23 2HG GLN 23 -3.306 -9.255 5.073
161 1HE2 GLN 23 1HE2 GLN 23 -6.791 -8.667 4.629
162 2HE2 GLN 23 2HE2 GLN 23 -6.705 -6.986 4.847
163 H ASP 24 H ASP 24 -2.633 -13.432 3.655
164 HA ASP 24 HA ASP 24 -4.884 -15.178 3.022
165 1HB ASP 24 1HB ASP 24 -2.034 -15.210 3.045
166 2HB ASP 24 2HB ASP 24 -2.601 -16.575 4.004
167 H THR 25 H THR 25 -4.815 -17.320 4.572
168 HA THR 25 HA THR 25 -6.048 -16.535 7.049
169 HB THR 25 HB THR 25 -5.910 -19.027 7.450
170 HG1 THR 25 HG1 THR 25 -3.846 -18.916 6.025
171 1HG2 THR 25 1HG2 THR 25 -7.722 -17.958 6.099
172 2HG2 THR 25 2HG2 THR 25 -7.365 -19.609 5.592
173 3HG2 THR 25 3HG2 THR 25 -6.760 -18.248 4.649
174 H SER 26 H SER 26 -2.748 -17.401 6.168
175 HA SER 26 HA SER 26 -1.824 -17.803 8.902
176 1HB SER 26 1HB SER 26 -0.840 -17.907 6.159
177 2HB SER 26 2HB SER 26 0.343 -17.184 7.243
178 HG SER 26 HG SER 26 -0.096 -19.704 6.942
179 H GLY 27 H GLY 27 -2.135 -15.064 6.723
180 1HA GLY 27 1HA GLY 27 -2.203 -12.983 8.437
181 2HA GLY 27 2HA GLY 27 -0.475 -13.339 8.446
182 H THR 28 H THR 28 -0.419 -11.068 7.521
183 HA THR 28 HA THR 28 -1.246 -10.847 4.683
184 HB THR 28 HB THR 28 0.186 -8.885 6.500
185 HG1 THR 28 HG1 THR 28 -1.723 -9.455 7.476
186 1HG2 THR 28 1HG2 THR 28 0.298 -7.929 4.400
187 2HG2 THR 28 2HG2 THR 28 -1.295 -7.361 4.899
188 3HG2 THR 28 3HG2 THR 28 -1.151 -8.756 3.831
189 H TYR 29 H TYR 29 0.188 -11.694 3.194
190 HA TYR 29 HA TYR 29 3.118 -11.414 3.785
191 1HB TYR 29 1HB TYR 29 3.384 -13.422 2.440
192 2HB TYR 29 2HB TYR 29 2.125 -13.717 3.634
193 HD1 TYR 29 HD1 TYR 29 2.852 -13.169 0.073
194 HD2 TYR 29 HD2 TYR 29 -0.237 -13.839 2.981
195 HE1 TYR 29 HE1 TYR 29 1.255 -13.700 -1.747
196 HE2 TYR 29 HE2 TYR 29 -1.835 -14.371 1.160
197 HH TYR 29 HH TYR 29 -2.154 -14.073 -1.149
198 H TYR 30 H TYR 30 3.924 -12.030 1.108
199 HA TYR 30 HA TYR 30 2.805 -9.743 -0.467
200 1HB TYR 30 1HB TYR 30 5.663 -10.379 0.295
201 2HB TYR 30 2HB TYR 30 5.273 -9.303 -1.046
202 HD1 TYR 30 HD1 TYR 30 5.151 -9.753 2.608
203 HD2 TYR 30 HD2 TYR 30 4.204 -7.138 -0.664
204 HE1 TYR 30 HE1 TYR 30 4.775 -7.891 4.204
205 HE2 TYR 30 HE2 TYR 30 3.828 -5.277 0.932
206 HH TYR 30 HH TYR 30 3.651 -5.798 4.347
207 H TRP 31 H TRP 31 2.376 -10.345 -2.551
208 HA TRP 31 HA TRP 31 3.338 -13.000 -3.495
209 1HB TRP 31 1HB TRP 31 0.985 -12.696 -3.635
210 2HB TRP 31 2HB TRP 31 1.154 -11.055 -4.246
211 HD1 TRP 31 HD1 TRP 31 3.288 -13.845 -5.693
212 HE1 TRP 31 HE1 TRP 31 2.575 -14.267 -8.135
213 HE3 TRP 31 HE3 TRP 31 -0.883 -10.907 -5.915
214 HZ2 TRP 31 HZ2 TRP 31 0.506 -13.464 -9.943
215 HZ3 TRP 31 HZ3 TRP 31 -2.204 -10.753 -8.005
216 HH2 TRP 31 HH2 TRP 31 -1.516 -12.027 -10.018
217 H HIS 32 H HIS 32 4.903 -13.121 -5.061
218 HA HIS 32 HA HIS 32 5.954 -10.613 -6.226
219 1HB HIS 32 1HB HIS 32 7.176 -12.701 -5.145
220 2HB HIS 32 2HB HIS 32 7.037 -13.365 -6.772
221 HD1 HIS 32 HD1 HIS 32 9.830 -12.973 -6.281
222 HD2 HIS 32 HD2 HIS 32 7.479 -9.672 -7.259
223 HE1 HIS 32 HE1 HIS 32 11.417 -11.183 -7.115
224 H ILE 33 H ILE 33 4.679 -9.980 -7.918
225 HA ILE 33 HA ILE 33 3.177 -11.625 -9.674
226 HB ILE 33 HB ILE 33 4.384 -8.875 -10.090
227 1HG1 ILE 33 1HG1 ILE 33 1.857 -9.827 -8.710
228 2HG1 ILE 33 2HG1 ILE 33 3.172 -8.880 -8.012
229 1HG2 ILE 33 1HG2 ILE 33 3.210 -10.276 -12.014
230 2HG2 ILE 33 2HG2 ILE 33 2.861 -8.560 -11.810
231 3HG2 ILE 33 3HG2 ILE 33 1.741 -9.768 -11.180
232 1HD1 ILE 33 1HD1 ILE 33 0.910 -8.004 -9.698
233 2HD1 ILE 33 2HD1 ILE 33 2.472 -7.310 -10.134
234 3HD1 ILE 33 3HD1 ILE 33 1.839 -7.101 -8.502
235 HA PRO 34 HA PRO 34 6.795 -11.135 -12.789
236 1HB PRO 34 1HB PRO 34 9.295 -10.713 -11.761
237 2HB PRO 34 2HB PRO 34 8.203 -9.400 -12.244
238 1HG PRO 34 1HG PRO 34 8.816 -10.450 -9.535
239 2HG PRO 34 2HG PRO 34 8.512 -8.788 -10.063
240 1HD PRO 34 1HD PRO 34 6.673 -10.352 -8.784
241 2HD PRO 34 2HD PRO 34 6.248 -9.005 -9.861
242 H THR 35 H THR 35 8.307 -12.363 -9.758
243 HA THR 35 HA THR 35 9.210 -14.783 -11.182
244 HB THR 35 HB THR 35 10.439 -15.167 -9.167
245 HG1 THR 35 HG1 THR 35 9.630 -14.687 -7.297
246 1HG2 THR 35 1HG2 THR 35 11.540 -13.040 -8.785
247 2HG2 THR 35 2HG2 THR 35 10.139 -12.163 -9.400
248 3HG2 THR 35 3HG2 THR 35 11.110 -13.148 -10.491
249 H GLY 36 H GLY 36 6.964 -13.992 -8.518
250 1HA GLY 36 1HA GLY 36 4.800 -15.176 -8.395
251 2HA GLY 36 2HA GLY 36 5.612 -16.607 -9.033
252 H THR 37 H THR 37 7.854 -15.439 -7.028
253 HA THR 37 HA THR 37 7.404 -17.416 -4.976
254 HB THR 37 HB THR 37 9.176 -14.974 -4.824
255 HG1 THR 37 HG1 THR 37 10.675 -16.443 -5.954
256 1HG2 THR 37 1HG2 THR 37 9.648 -17.831 -3.960
257 2HG2 THR 37 2HG2 THR 37 9.001 -16.583 -2.895
258 3HG2 THR 37 3HG2 THR 37 10.625 -16.417 -3.563
259 H THR 38 H THR 38 7.114 -16.903 -2.656
260 HA THR 38 HA THR 38 5.466 -14.429 -2.229
261 HB THR 38 HB THR 38 4.728 -16.293 -0.305
262 HG1 THR 38 HG1 THR 38 5.530 -18.076 -1.115
263 1HG2 THR 38 1HG2 THR 38 3.149 -14.927 -1.502
264 2HG2 THR 38 2HG2 THR 38 2.722 -16.610 -1.812
265 3HG2 THR 38 3HG2 THR 38 3.581 -15.678 -3.038
266 H GLN 39 H GLN 39 5.506 -13.698 0.111
267 HA GLN 39 HA GLN 39 7.926 -14.532 1.629
268 1HB GLN 39 1HB GLN 39 7.332 -11.678 0.782
269 2HB GLN 39 2HB GLN 39 8.743 -12.231 1.684
270 1HG GLN 39 1HG GLN 39 9.190 -13.788 -0.323
271 2HG GLN 39 2HG GLN 39 8.032 -12.784 -1.196
272 1HE2 GLN 39 1HE2 GLN 39 10.916 -12.947 -1.783
273 2HE2 GLN 39 2HE2 GLN 39 11.552 -11.392 -1.537
274 H TRP 40 H TRP 40 7.572 -11.919 3.154
275 HA TRP 40 HA TRP 40 4.923 -12.350 4.446
276 1HB TRP 40 1HB TRP 40 6.678 -13.830 5.475
277 2HB TRP 40 2HB TRP 40 7.582 -12.382 5.905
278 HD1 TRP 40 HD1 TRP 40 6.968 -11.237 8.094
279 HE1 TRP 40 HE1 TRP 40 5.055 -11.460 9.808
280 HE3 TRP 40 HE3 TRP 40 3.930 -14.500 5.604
281 HZ2 TRP 40 HZ2 TRP 40 2.565 -12.840 10.085
282 HZ3 TRP 40 HZ3 TRP 40 1.796 -15.251 6.614
283 HH2 TRP 40 HH2 TRP 40 1.110 -14.426 8.849
284 H GLU 41 H GLU 41 8.009 -10.579 4.812
285 HA GLU 41 HA GLU 41 6.558 -8.160 5.714
286 1HB GLU 41 1HB GLU 41 9.519 -8.599 5.239
287 2HB GLU 41 2HB GLU 41 8.769 -7.397 6.290
288 1HG GLU 41 1HG GLU 41 8.028 -9.065 7.832
289 2HG GLU 41 2HG GLU 41 8.400 -10.370 6.705
290 HA PRO 42 HA PRO 42 6.718 -6.081 1.850
291 1HB PRO 42 1HB PRO 42 7.248 -3.509 2.619
292 2HB PRO 42 2HB PRO 42 5.677 -4.290 2.882
293 1HG PRO 42 1HG PRO 42 7.907 -3.831 4.795
294 2HG PRO 42 2HG PRO 42 6.158 -3.753 5.059
295 1HD PRO 42 1HD PRO 42 7.721 -5.870 5.811
296 2HD PRO 42 2HD PRO 42 5.987 -5.999 5.443
297 HA PRO 43 HA PRO 43 11.159 -6.194 1.165
298 1HB PRO 43 1HB PRO 43 10.993 -6.414 -1.558
299 2HB PRO 43 2HB PRO 43 10.763 -7.791 -0.462
300 1HG PRO 43 1HG PRO 43 8.735 -6.140 -1.877
301 2HG PRO 43 2HG PRO 43 8.747 -7.880 -1.550
302 1HD PRO 43 1HD PRO 43 7.277 -6.072 -0.119
303 2HD PRO 43 2HD PRO 43 7.845 -7.625 0.533
304 H GLY 44 H GLY 44 12.439 -4.383 0.958
305 1HA GLY 44 1HA GLY 44 13.196 -2.409 -0.236
306 2HA GLY 44 2HA GLY 44 11.568 -2.220 -0.889
307 H ARG 45 H ARG 45 13.615 -0.739 1.130
308 HA ARG 45 HA ARG 45 12.384 -0.279 3.595
309 1HB ARG 45 1HB ARG 45 14.060 1.258 1.668
310 2HB ARG 45 2HB ARG 45 13.314 2.179 2.973
311 1HG ARG 45 1HG ARG 45 14.224 0.378 4.557
312 2HG ARG 45 2HG ARG 45 15.211 -0.161 3.199
313 1HD ARG 45 1HD ARG 45 16.578 1.687 3.287
314 2HD ARG 45 2HD ARG 45 15.257 2.763 3.786
315 HE ARG 45 HE ARG 45 17.021 1.433 5.596
316 1HH1 ARG 45 1HH1 ARG 45 14.269 3.277 5.489
317 2HH1 ARG 45 2HH1 ARG 45 13.568 2.669 6.951
318 1HH2 ARG 45 1HH2 ARG 45 15.867 0.095 7.296
319 2HH2 ARG 45 2HH2 ARG 45 14.473 0.867 7.974
320 H ALA 46 H ALA 46 10.170 0.003 3.784
321 HA ALA 46 HA ALA 46 8.346 1.073 1.963
322 1HB ALA 46 1HB ALA 46 8.556 0.969 4.961
323 2HB ALA 46 2HB ALA 46 7.478 0.070 3.895
324 3HB ALA 46 3HB ALA 46 7.176 1.778 4.218
325 H SER 47 H SER 47 8.134 3.092 1.079
326 HA SER 47 HA SER 47 9.455 5.392 2.478
327 1HB SER 47 1HB SER 47 9.821 4.370 -0.040
328 2HB SER 47 2HB SER 47 8.627 5.627 -0.351
329 HG SER 47 HG SER 47 10.884 6.124 1.265
330 HA PRO 48 HA PRO 48 4.878 6.123 2.610
331 1HB PRO 48 1HB PRO 48 4.803 6.866 5.242
332 2HB PRO 48 2HB PRO 48 4.670 5.178 4.711
333 1HG PRO 48 1HG PRO 48 7.010 6.630 5.827
334 2HG PRO 48 2HG PRO 48 6.492 4.957 6.083
335 1HD PRO 48 1HD PRO 48 8.528 5.683 4.405
336 2HD PRO 48 2HD PRO 48 7.563 4.203 4.213
337 H SER 49 H SER 49 3.848 8.282 3.586
338 HA SER 49 HA SER 49 5.606 10.579 3.885
339 1HB SER 49 1HB SER 49 4.918 11.579 1.663
340 2HB SER 49 2HB SER 49 5.967 10.171 1.526
341 HG SER 49 HG SER 49 4.252 8.946 0.943
342 H GLN 50 H GLN 50 4.412 11.986 5.106
343 HA GLN 50 HA GLN 50 1.789 12.905 4.476
344 1HB GLN 50 1HB GLN 50 1.903 10.273 5.499
345 2HB GLN 50 2HB GLN 50 1.304 11.276 6.820
346 1HG GLN 50 1HG GLN 50 -0.363 12.269 5.216
347 2HG GLN 50 2HG GLN 50 0.159 11.079 4.022
348 1HE2 GLN 50 1HE2 GLN 50 -0.451 8.844 4.360
349 2HE2 GLN 50 2HE2 GLN 50 -1.566 8.385 5.555
Start of MODEL 21
1 H ASP 1 H ASP 1 -13.777 6.333 -17.770
2 HA ASP 1 HA ASP 1 -14.059 4.430 -19.485
3 1HB ASP 1 1HB ASP 1 -11.512 5.487 -20.049
4 2HB ASP 1 2HB ASP 1 -11.205 3.934 -19.273
5 H SER 2 H SER 2 -14.997 4.080 -17.261
6 HA SER 2 HA SER 2 -13.183 2.339 -15.642
7 1HB SER 2 1HB SER 2 -14.253 3.470 -13.621
8 2HB SER 2 2HB SER 2 -13.158 4.482 -14.557
9 HG SER 2 HG SER 2 -15.400 5.271 -13.950
10 H PHE 3 H PHE 3 -14.609 0.769 -16.970
11 HA PHE 3 HA PHE 3 -17.164 0.279 -15.476
12 1HB PHE 3 1HB PHE 3 -17.565 1.238 -17.712
13 2HB PHE 3 2HB PHE 3 -16.576 -0.030 -18.439
14 HD1 PHE 3 HD1 PHE 3 -17.388 -2.306 -18.647
15 HD2 PHE 3 HD2 PHE 3 -19.756 0.711 -16.712
16 HE1 PHE 3 HE1 PHE 3 -19.363 -3.803 -18.730
17 HE2 PHE 3 HE2 PHE 3 -21.731 -0.786 -16.796
18 HZ PHE 3 HZ PHE 3 -21.535 -3.044 -17.804
19 H TRP 4 H TRP 4 -17.330 -1.807 -14.706
20 HA TRP 4 HA TRP 4 -16.795 -4.080 -14.337
21 1HB TRP 4 1HB TRP 4 -16.951 -3.580 -17.079
22 2HB TRP 4 2HB TRP 4 -15.428 -4.450 -16.894
23 HD1 TRP 4 HD1 TRP 4 -19.025 -5.035 -17.224
24 HE1 TRP 4 HE1 TRP 4 -19.633 -7.456 -16.581
25 HE3 TRP 4 HE3 TRP 4 -14.686 -6.457 -14.937
26 HZ2 TRP 4 HZ2 TRP 4 -18.437 -9.701 -15.272
27 HZ3 TRP 4 HZ3 TRP 4 -14.447 -8.740 -14.003
28 HH2 TRP 4 HH2 TRP 4 -16.315 -10.362 -14.167
29 H ASN 5 H ASN 5 -15.053 -2.686 -12.972
30 HA ASN 5 HA ASN 5 -12.357 -2.441 -13.671
31 1HB ASN 5 1HB ASN 5 -14.005 -2.663 -11.281
32 2HB ASN 5 2HB ASN 5 -12.413 -3.378 -11.024
33 1HD2 ASN 5 1HD2 ASN 5 -11.421 -1.696 -9.808
34 2HD2 ASN 5 2HD2 ASN 5 -11.205 -0.120 -10.398
35 HA PRO 6 HA PRO 6 -10.961 -6.567 -14.282
36 1HB PRO 6 1HB PRO 6 -8.293 -6.206 -13.791
37 2HB PRO 6 2HB PRO 6 -9.090 -5.638 -15.271
38 1HG PRO 6 1HG PRO 6 -8.302 -4.115 -12.843
39 2HG PRO 6 2HG PRO 6 -8.258 -3.630 -14.546
40 1HD PRO 6 1HD PRO 6 -10.197 -2.840 -12.782
41 2HD PRO 6 2HD PRO 6 -10.435 -2.945 -14.540
42 H ASN 7 H ASN 7 -8.494 -5.745 -11.931
43 HA ASN 7 HA ASN 7 -9.912 -7.236 -9.780
44 1HB ASN 7 1HB ASN 7 -8.618 -8.790 -11.317
45 2HB ASN 7 2HB ASN 7 -7.149 -7.971 -10.785
46 1HD2 ASN 7 1HD2 ASN 7 -6.191 -9.546 -9.436
47 2HD2 ASN 7 2HD2 ASN 7 -6.966 -10.246 -8.098
48 H ALA 8 H ALA 8 -9.697 -4.754 -9.197
49 HA ALA 8 HA ALA 8 -7.024 -3.942 -8.258
50 1HB ALA 8 1HB ALA 8 -9.772 -2.684 -7.950
51 2HB ALA 8 2HB ALA 8 -8.682 -2.400 -9.307
52 3HB ALA 8 3HB ALA 8 -8.226 -1.877 -7.686
53 H PHE 9 H PHE 9 -6.683 -3.353 -5.956
54 HA PHE 9 HA PHE 9 -8.572 -4.388 -3.951
55 1HB PHE 9 1HB PHE 9 -6.768 -6.130 -5.126
56 2HB PHE 9 2HB PHE 9 -5.929 -5.637 -3.654
57 HD1 PHE 9 HD1 PHE 9 -9.313 -6.747 -4.833
58 HD2 PHE 9 HD2 PHE 9 -6.444 -6.701 -1.637
59 HE1 PHE 9 HE1 PHE 9 -10.777 -8.238 -3.497
60 HE2 PHE 9 HE2 PHE 9 -7.908 -8.192 -0.301
61 HZ PHE 9 HZ PHE 9 -10.074 -8.960 -1.230
62 H GLU 10 H GLU 10 -8.383 -2.162 -3.205
63 HA GLU 10 HA GLU 10 -7.364 -0.355 -2.055
64 1HB GLU 10 1HB GLU 10 -7.695 -2.458 -0.539
65 2HB GLU 10 2HB GLU 10 -5.940 -2.580 -0.612
66 1HG GLU 10 1HG GLU 10 -6.579 0.147 -0.093
67 2HG GLU 10 2HG GLU 10 -7.532 -0.839 1.016
68 H THR 11 H THR 11 -4.881 -0.041 -0.890
69 HA THR 11 HA THR 11 -3.064 -0.138 -3.259
70 HB THR 11 HB THR 11 -2.557 1.439 -0.759
71 HG1 THR 11 HG1 THR 11 -4.484 2.245 -0.960
72 1HG2 THR 11 1HG2 THR 11 -1.056 2.404 -2.121
73 2HG2 THR 11 2HG2 THR 11 -2.346 2.881 -3.226
74 3HG2 THR 11 3HG2 THR 11 -1.552 1.317 -3.419
75 H ASP 12 H ASP 12 -0.638 0.195 -1.898
76 HA ASP 12 HA ASP 12 -0.401 -2.382 -0.376
77 1HB ASP 12 1HB ASP 12 0.664 -1.633 -2.833
78 2HB ASP 12 2HB ASP 12 2.000 -1.365 -1.713
79 H SER 13 H SER 13 1.862 -2.301 0.861
80 HA SER 13 HA SER 13 1.766 0.106 2.582
81 1HB SER 13 1HB SER 13 2.303 -2.680 2.837
82 2HB SER 13 2HB SER 13 3.744 -1.806 3.340
83 HG SER 13 HG SER 13 1.711 -2.210 4.807
84 H ASP 14 H ASP 14 2.754 0.868 0.136
85 HA ASP 14 HA ASP 14 4.601 2.051 -0.756
86 1HB ASP 14 1HB ASP 14 4.780 2.263 1.932
87 2HB ASP 14 2HB ASP 14 6.272 1.377 1.614
88 H LEU 15 H LEU 15 4.309 -0.542 -1.652
89 HA LEU 15 HA LEU 15 6.918 -1.926 -1.343
90 1HB LEU 15 1HB LEU 15 4.241 -2.549 -2.612
91 2HB LEU 15 2HB LEU 15 5.636 -3.606 -2.810
92 HG LEU 15 HG LEU 15 4.327 -4.407 -0.928
93 1HD1 LEU 15 1HD1 LEU 15 6.951 -4.127 -0.856
94 2HD1 LEU 15 2HD1 LEU 15 6.079 -4.629 0.592
95 3HD1 LEU 15 3HD1 LEU 15 6.587 -2.950 0.406
96 1HD2 LEU 15 1HD2 LEU 15 3.651 -3.040 0.883
97 2HD2 LEU 15 2HD2 LEU 15 3.343 -2.044 -0.538
98 3HD2 LEU 15 3HD2 LEU 15 4.777 -1.756 0.446
99 HA PRO 16 HA PRO 16 8.521 -0.603 -5.208
100 1HB PRO 16 1HB PRO 16 9.637 -2.899 -6.199
101 2HB PRO 16 2HB PRO 16 10.333 -1.995 -4.838
102 1HG PRO 16 1HG PRO 16 8.669 -4.461 -4.817
103 2HG PRO 16 2HG PRO 16 10.059 -4.031 -3.811
104 1HD PRO 16 1HD PRO 16 7.478 -3.860 -2.957
105 2HD PRO 16 2HD PRO 16 8.785 -2.828 -2.337
106 H ALA 17 H ALA 17 8.731 -2.014 -7.635
107 HA ALA 17 HA ALA 17 5.864 -2.166 -8.428
108 1HB ALA 17 1HB ALA 17 7.956 -0.801 -9.450
109 2HB ALA 17 2HB ALA 17 6.612 -1.353 -10.451
110 3HB ALA 17 3HB ALA 17 8.107 -2.287 -10.387
111 H GLY 18 H GLY 18 5.001 -4.190 -8.536
112 1HA GLY 18 1HA GLY 18 5.011 -6.333 -9.784
113 2HA GLY 18 2HA GLY 18 6.750 -6.415 -9.504
114 H TRP 19 H TRP 19 5.222 -5.200 -6.764
115 HA TRP 19 HA TRP 19 5.144 -7.942 -5.540
116 1HB TRP 19 1HB TRP 19 6.306 -5.305 -4.727
117 2HB TRP 19 2HB TRP 19 5.704 -6.368 -3.456
118 HD1 TRP 19 HD1 TRP 19 8.516 -5.951 -5.914
119 HE1 TRP 19 HE1 TRP 19 10.227 -7.855 -5.611
120 HE3 TRP 19 HE3 TRP 19 5.898 -8.997 -2.757
121 HZ2 TRP 19 HZ2 TRP 19 10.455 -10.343 -4.218
122 HZ3 TRP 19 HZ3 TRP 19 6.886 -11.128 -1.961
123 HH2 TRP 19 HH2 TRP 19 9.158 -11.802 -2.687
124 H MET 20 H MET 20 3.219 -8.451 -4.523
125 HA MET 20 HA MET 20 1.196 -6.254 -4.243
126 1HB MET 20 1HB MET 20 0.802 -9.244 -4.559
127 2HB MET 20 2HB MET 20 -0.439 -7.999 -4.682
128 1HG MET 20 1HG MET 20 1.914 -8.410 -6.545
129 2HG MET 20 2HG MET 20 0.207 -8.634 -6.927
130 1HE MET 20 1HE MET 20 -1.588 -6.258 -7.136
131 2HE MET 20 2HE MET 20 -0.809 -7.429 -8.196
132 3HE MET 20 3HE MET 20 -0.711 -5.710 -8.571
133 H ARG 21 H ARG 21 -0.420 -6.682 -2.466
134 HA ARG 21 HA ARG 21 0.879 -7.984 -0.094
135 1HB ARG 21 1HB ARG 21 0.652 -5.403 -0.272
136 2HB ARG 21 2HB ARG 21 -1.072 -5.678 -0.019
137 1HG ARG 21 1HG ARG 21 -0.387 -7.062 2.032
138 2HG ARG 21 2HG ARG 21 1.213 -6.344 1.842
139 1HD ARG 21 1HD ARG 21 0.192 -4.074 1.977
140 2HD ARG 21 2HD ARG 21 -1.389 -4.830 2.258
141 HE ARG 21 HE ARG 21 0.746 -5.767 4.046
142 1HH1 ARG 21 1HH1 ARG 21 -2.414 -4.743 3.835
143 2HH1 ARG 21 2HH1 ARG 21 -2.436 -3.886 5.340
144 1HH2 ARG 21 1HH2 ARG 21 0.984 -4.150 5.843
145 2HH2 ARG 21 2HH2 ARG 21 -0.511 -3.551 6.478
146 H VAL 22 H VAL 22 -0.262 -9.899 0.159
147 HA VAL 22 HA VAL 22 -3.230 -9.830 -0.238
148 HB VAL 22 HB VAL 22 -1.370 -12.205 -0.025
149 1HG1 VAL 22 1HG1 VAL 22 -3.276 -13.125 -1.539
150 2HG1 VAL 22 2HG1 VAL 22 -4.200 -11.743 -0.951
151 3HG1 VAL 22 3HG1 VAL 22 -3.593 -12.946 0.186
152 1HG2 VAL 22 1HG2 VAL 22 -2.222 -11.615 -2.719
153 2HG2 VAL 22 2HG2 VAL 22 -0.580 -11.773 -2.095
154 3HG2 VAL 22 3HG2 VAL 22 -1.396 -10.211 -2.043
155 H GLN 23 H GLN 23 -4.480 -11.220 1.292
156 HA GLN 23 HA GLN 23 -3.282 -11.217 4.044
157 1HB GLN 23 1HB GLN 23 -5.827 -10.245 2.870
158 2HB GLN 23 2HB GLN 23 -5.976 -11.068 4.422
159 1HG GLN 23 1HG GLN 23 -5.000 -9.361 5.542
160 2HG GLN 23 2HG GLN 23 -3.724 -9.193 4.334
161 1HE2 GLN 23 1HE2 GLN 23 -7.314 -8.733 4.279
162 2HE2 GLN 23 2HE2 GLN 23 -7.247 -7.199 3.556
163 H ASP 24 H ASP 24 -2.622 -13.488 3.657
164 HA ASP 24 HA ASP 24 -4.675 -15.491 3.054
165 1HB ASP 24 1HB ASP 24 -1.841 -15.228 3.086
166 2HB ASP 24 2HB ASP 24 -2.265 -16.579 4.133
167 H THR 25 H THR 25 -4.576 -17.501 4.676
168 HA THR 25 HA THR 25 -5.839 -16.722 7.116
169 HB THR 25 HB THR 25 -5.649 -19.125 7.614
170 HG1 THR 25 HG1 THR 25 -3.452 -19.301 6.935
171 1HG2 THR 25 1HG2 THR 25 -7.360 -18.915 6.087
172 2HG2 THR 25 2HG2 THR 25 -6.263 -19.918 5.138
173 3HG2 THR 25 3HG2 THR 25 -6.322 -18.176 4.867
174 H SER 26 H SER 26 -2.467 -17.497 6.341
175 HA SER 26 HA SER 26 -1.527 -17.602 9.072
176 1HB SER 26 1HB SER 26 -0.493 -17.645 6.321
177 2HB SER 26 2HB SER 26 0.611 -16.889 7.467
178 HG SER 26 HG SER 26 1.083 -18.876 7.966
179 H GLY 27 H GLY 27 -2.156 -15.004 6.805
180 1HA GLY 27 1HA GLY 27 -2.428 -12.862 8.386
181 2HA GLY 27 2HA GLY 27 -0.675 -13.052 8.466
182 H THR 28 H THR 28 -0.787 -10.834 7.420
183 HA THR 28 HA THR 28 -1.527 -10.853 4.549
184 HB THR 28 HB THR 28 -0.373 -8.655 6.292
185 HG1 THR 28 HG1 THR 28 -2.937 -9.721 6.022
186 1HG2 THR 28 1HG2 THR 28 -2.259 -7.947 4.182
187 2HG2 THR 28 2HG2 THR 28 -0.833 -8.772 3.550
188 3HG2 THR 28 3HG2 THR 28 -0.650 -7.303 4.509
189 H TYR 29 H TYR 29 0.037 -11.640 3.170
190 HA TYR 29 HA TYR 29 2.903 -11.055 3.841
191 1HB TYR 29 1HB TYR 29 3.391 -13.101 2.615
192 2HB TYR 29 2HB TYR 29 2.121 -13.443 3.787
193 HD1 TYR 29 HD1 TYR 29 -0.218 -13.744 3.066
194 HD2 TYR 29 HD2 TYR 29 2.939 -13.079 0.231
195 HE1 TYR 29 HE1 TYR 29 -1.705 -14.504 1.231
196 HE2 TYR 29 HE2 TYR 29 1.453 -13.838 -1.604
197 HH TYR 29 HH TYR 29 -0.661 -15.429 -1.716
198 H TYR 30 H TYR 30 3.839 -11.763 1.216
199 HA TYR 30 HA TYR 30 2.637 -9.592 -0.464
200 1HB TYR 30 1HB TYR 30 5.539 -10.233 0.136
201 2HB TYR 30 2HB TYR 30 5.028 -9.085 -1.102
202 HD1 TYR 30 HD1 TYR 30 4.559 -6.852 -0.528
203 HD2 TYR 30 HD2 TYR 30 4.648 -9.856 2.541
204 HE1 TYR 30 HE1 TYR 30 4.320 -5.092 1.202
205 HE2 TYR 30 HE2 TYR 30 4.407 -8.096 4.271
206 HH TYR 30 HH TYR 30 3.309 -5.520 4.130
207 H TRP 31 H TRP 31 2.291 -10.199 -2.585
208 HA TRP 31 HA TRP 31 3.233 -12.915 -3.398
209 1HB TRP 31 1HB TRP 31 0.867 -12.696 -3.457
210 2HB TRP 31 2HB TRP 31 0.955 -11.093 -4.183
211 HD1 TRP 31 HD1 TRP 31 3.199 -13.824 -5.533
212 HE1 TRP 31 HE1 TRP 31 2.422 -14.470 -7.906
213 HE3 TRP 31 HE3 TRP 31 -1.199 -11.237 -5.758
214 HZ2 TRP 31 HZ2 TRP 31 0.228 -13.955 -9.666
215 HZ3 TRP 31 HZ3 TRP 31 -2.610 -11.332 -7.793
216 HH2 TRP 31 HH2 TRP 31 -1.904 -12.687 -9.745
217 H HIS 32 H HIS 32 5.035 -12.845 -4.656
218 HA HIS 32 HA HIS 32 5.859 -10.460 -6.109
219 1HB HIS 32 1HB HIS 32 7.112 -12.543 -4.962
220 2HB HIS 32 2HB HIS 32 7.043 -13.156 -6.614
221 HD1 HIS 32 HD1 HIS 32 9.806 -12.624 -5.870
222 HD2 HIS 32 HD2 HIS 32 7.358 -9.499 -7.141
223 HE1 HIS 32 HE1 HIS 32 11.352 -10.775 -6.648
224 H ILE 33 H ILE 33 4.754 -9.924 -7.931
225 HA ILE 33 HA ILE 33 3.244 -11.730 -9.570
226 HB ILE 33 HB ILE 33 4.356 -8.962 -10.129
227 1HG1 ILE 33 1HG1 ILE 33 1.865 -9.927 -8.693
228 2HG1 ILE 33 2HG1 ILE 33 3.145 -8.899 -8.050
229 1HG2 ILE 33 1HG2 ILE 33 2.881 -10.749 -11.753
230 2HG2 ILE 33 2HG2 ILE 33 3.184 -9.038 -12.052
231 3HG2 ILE 33 3HG2 ILE 33 1.730 -9.539 -11.189
232 1HD1 ILE 33 1HD1 ILE 33 2.124 -7.701 -10.450
233 2HD1 ILE 33 2HD1 ILE 33 2.085 -7.066 -8.806
234 3HD1 ILE 33 3HD1 ILE 33 0.770 -8.087 -9.389
235 HA PRO 34 HA PRO 34 6.924 -11.290 -12.624
236 1HB PRO 34 1HB PRO 34 9.377 -10.705 -11.567
237 2HB PRO 34 2HB PRO 34 8.246 -9.469 -12.150
238 1HG PRO 34 1HG PRO 34 8.851 -10.325 -9.375
239 2HG PRO 34 2HG PRO 34 8.467 -8.717 -10.005
240 1HD PRO 34 1HD PRO 34 6.697 -10.326 -8.667
241 2HD PRO 34 2HD PRO 34 6.220 -9.038 -9.792
242 H THR 35 H THR 35 8.424 -12.271 -9.496
243 HA THR 35 HA THR 35 9.458 -14.730 -10.752
244 HB THR 35 HB THR 35 10.623 -14.959 -8.657
245 HG1 THR 35 HG1 THR 35 8.520 -13.346 -7.769
246 1HG2 THR 35 1HG2 THR 35 10.744 -12.656 -10.210
247 2HG2 THR 35 2HG2 THR 35 11.939 -13.164 -9.017
248 3HG2 THR 35 3HG2 THR 35 10.657 -12.044 -8.559
249 H GLY 36 H GLY 36 6.742 -13.757 -8.803
250 1HA GLY 36 1HA GLY 36 4.786 -15.037 -8.366
251 2HA GLY 36 2HA GLY 36 5.613 -16.461 -8.998
252 H THR 37 H THR 37 7.905 -15.434 -7.061
253 HA THR 37 HA THR 37 7.478 -17.352 -4.993
254 HB THR 37 HB THR 37 9.150 -14.843 -4.819
255 HG1 THR 37 HG1 THR 37 10.142 -17.177 -5.966
256 1HG2 THR 37 1HG2 THR 37 9.346 -17.643 -3.726
257 2HG2 THR 37 2HG2 THR 37 9.296 -16.123 -2.833
258 3HG2 THR 37 3HG2 THR 37 10.732 -16.553 -3.763
259 H THR 38 H THR 38 7.119 -16.896 -2.691
260 HA THR 38 HA THR 38 5.426 -14.459 -2.217
261 HB THR 38 HB THR 38 4.732 -16.456 -0.368
262 HG1 THR 38 HG1 THR 38 4.191 -18.064 -2.177
263 1HG2 THR 38 1HG2 THR 38 2.711 -16.654 -1.998
264 2HG2 THR 38 2HG2 THR 38 3.535 -15.394 -2.916
265 3HG2 THR 38 3HG2 THR 38 3.040 -15.091 -1.251
266 H GLN 39 H GLN 39 5.482 -13.736 0.108
267 HA GLN 39 HA GLN 39 7.844 -14.672 1.658
268 1HB GLN 39 1HB GLN 39 7.354 -11.802 0.792
269 2HB GLN 39 2HB GLN 39 8.698 -12.365 1.787
270 1HG GLN 39 1HG GLN 39 9.143 -14.000 -0.216
271 2HG GLN 39 2HG GLN 39 8.185 -12.839 -1.135
272 1HE2 GLN 39 1HE2 GLN 39 11.169 -13.415 -1.247
273 2HE2 GLN 39 2HE2 GLN 39 11.909 -11.912 -0.982
274 H TRP 40 H TRP 40 7.601 -12.149 3.282
275 HA TRP 40 HA TRP 40 4.889 -12.442 4.477
276 1HB TRP 40 1HB TRP 40 7.565 -13.031 5.756
277 2HB TRP 40 2HB TRP 40 6.142 -12.653 6.727
278 HD1 TRP 40 HD1 TRP 40 7.893 -15.536 5.598
279 HE1 TRP 40 HE1 TRP 40 6.362 -17.596 5.358
280 HE3 TRP 40 HE3 TRP 40 3.326 -13.252 5.666
281 HZ2 TRP 40 HZ2 TRP 40 3.568 -18.195 5.214
282 HZ3 TRP 40 HZ3 TRP 40 1.249 -14.589 5.477
283 HH2 TRP 40 HH2 TRP 40 1.364 -17.055 5.250
284 H GLU 41 H GLU 41 8.041 -10.784 4.514
285 HA GLU 41 HA GLU 41 6.735 -8.356 5.668
286 1HB GLU 41 1HB GLU 41 9.673 -8.917 5.187
287 2HB GLU 41 2HB GLU 41 8.968 -7.749 6.305
288 1HG GLU 41 1HG GLU 41 8.051 -9.540 7.675
289 2HG GLU 41 2HG GLU 41 8.608 -10.750 6.519
290 HA PRO 42 HA PRO 42 7.023 -6.168 1.875
291 1HB PRO 42 1HB PRO 42 7.849 -3.685 2.679
292 2HB PRO 42 2HB PRO 42 6.213 -4.304 2.979
293 1HG PRO 42 1HG PRO 42 8.547 -4.154 4.821
294 2HG PRO 42 2HG PRO 42 6.831 -3.861 5.147
295 1HD PRO 42 1HD PRO 42 8.111 -6.168 5.822
296 2HD PRO 42 2HD PRO 42 6.374 -6.084 5.455
297 HA PRO 43 HA PRO 43 11.356 -6.721 0.909
298 1HB PRO 43 1HB PRO 43 11.070 -6.499 -1.804
299 2HB PRO 43 2HB PRO 43 10.661 -7.974 -0.907
300 1HG PRO 43 1HG PRO 43 8.875 -5.838 -1.951
301 2HG PRO 43 2HG PRO 43 8.624 -7.589 -1.888
302 1HD PRO 43 1HD PRO 43 7.497 -5.833 -0.124
303 2HD PRO 43 2HD PRO 43 7.849 -7.532 0.262
304 H GLY 44 H GLY 44 9.306 -4.023 0.139
305 1HA GLY 44 1HA GLY 44 9.785 -1.775 -0.342
306 2HA GLY 44 2HA GLY 44 11.258 -2.045 0.592
307 H ARG 45 H ARG 45 11.910 -0.399 -1.228
308 HA ARG 45 HA ARG 45 12.231 -0.950 -3.918
309 1HB ARG 45 1HB ARG 45 13.505 0.627 -1.856
310 2HB ARG 45 2HB ARG 45 14.710 0.060 -3.013
311 1HG ARG 45 1HG ARG 45 13.296 0.914 -4.871
312 2HG ARG 45 2HG ARG 45 12.150 1.541 -3.685
313 1HD ARG 45 1HD ARG 45 15.071 2.317 -3.578
314 2HD ARG 45 2HD ARG 45 13.914 3.207 -4.588
315 HE ARG 45 HE ARG 45 13.365 2.754 -1.681
316 1HH1 ARG 45 1HH1 ARG 45 11.686 4.264 -3.873
317 2HH1 ARG 45 2HH1 ARG 45 11.962 5.897 -3.366
318 1HH2 ARG 45 1HH2 ARG 45 14.598 5.080 -1.267
319 2HH2 ARG 45 2HH2 ARG 45 13.611 6.358 -1.890
320 H ALA 46 H ALA 46 14.692 -1.817 -1.476
321 HA ALA 46 HA ALA 46 16.211 -3.630 -1.418
322 1HB ALA 46 1HB ALA 46 14.846 -5.244 -3.419
323 2HB ALA 46 2HB ALA 46 13.699 -4.535 -2.282
324 3HB ALA 46 3HB ALA 46 15.024 -5.538 -1.690
325 H SER 47 H SER 47 18.140 -3.196 -2.425
326 HA SER 47 HA SER 47 18.172 -2.904 -5.401
327 1HB SER 47 1HB SER 47 19.176 -1.369 -3.323
328 2HB SER 47 2HB SER 47 20.592 -2.262 -3.867
329 HG SER 47 HG SER 47 19.699 -0.143 -4.957
330 HA PRO 48 HA PRO 48 20.147 -6.901 -5.370
331 1HB PRO 48 1HB PRO 48 20.589 -7.036 -8.068
332 2HB PRO 48 2HB PRO 48 19.000 -7.332 -7.334
333 1HG PRO 48 1HG PRO 48 20.025 -4.906 -8.712
334 2HG PRO 48 2HG PRO 48 18.408 -5.626 -8.743
335 1HD PRO 48 1HD PRO 48 19.077 -3.429 -7.250
336 2HD PRO 48 2HD PRO 48 17.751 -4.540 -6.846
337 H SER 49 H SER 49 22.047 -5.928 -4.242
338 HA SER 49 HA SER 49 24.299 -5.335 -6.137
339 1HB SER 49 1HB SER 49 23.601 -3.344 -4.932
340 2HB SER 49 2HB SER 49 23.618 -4.215 -3.402
341 HG SER 49 HG SER 49 25.849 -3.731 -5.096
342 H GLN 50 H GLN 50 26.471 -5.879 -5.141
343 HA GLN 50 HA GLN 50 26.326 -8.522 -3.819
344 1HB GLN 50 1HB GLN 50 27.759 -7.672 -5.868
345 2HB GLN 50 2HB GLN 50 28.842 -7.079 -4.606
346 1HG GLN 50 1HG GLN 50 27.939 -9.806 -4.082
347 2HG GLN 50 2HG GLN 50 28.786 -9.672 -5.624
348 1HE2 GLN 50 1HE2 GLN 50 29.510 -10.588 -2.642
349 2HE2 GLN 50 2HE2 GLN 50 31.050 -9.904 -2.436
Start of MODEL 22
1 H ASP 1 H ASP 1 -3.030 5.435 -22.400
2 HA ASP 1 HA ASP 1 -2.927 6.443 -20.246
3 1HB ASP 1 1HB ASP 1 -2.807 8.803 -22.033
4 2HB ASP 1 2HB ASP 1 -3.718 9.042 -20.540
5 H SER 2 H SER 2 -4.840 4.906 -20.737
6 HA SER 2 HA SER 2 -7.410 6.301 -21.252
7 1HB SER 2 1HB SER 2 -6.616 4.064 -22.256
8 2HB SER 2 2HB SER 2 -6.918 3.375 -20.664
9 HG SER 2 HG SER 2 -9.074 4.296 -20.876
10 H PHE 3 H PHE 3 -9.216 5.983 -19.720
11 HA PHE 3 HA PHE 3 -8.383 6.323 -16.940
12 1HB PHE 3 1HB PHE 3 -10.256 7.527 -18.092
13 2HB PHE 3 2HB PHE 3 -11.132 6.000 -18.189
14 HD1 PHE 3 HD1 PHE 3 -12.769 5.723 -16.565
15 HD2 PHE 3 HD2 PHE 3 -9.179 7.862 -15.569
16 HE1 PHE 3 HE1 PHE 3 -13.608 6.057 -14.255
17 HE2 PHE 3 HE2 PHE 3 -10.018 8.196 -13.260
18 HZ PHE 3 HZ PHE 3 -12.232 7.293 -12.602
19 H TRP 4 H TRP 4 -7.644 4.412 -15.990
20 HA TRP 4 HA TRP 4 -8.506 1.778 -16.546
21 1HB TRP 4 1HB TRP 4 -7.342 1.247 -14.506
22 2HB TRP 4 2HB TRP 4 -6.502 2.622 -15.222
23 HD1 TRP 4 HD1 TRP 4 -7.294 5.102 -14.237
24 HE1 TRP 4 HE1 TRP 4 -7.866 5.744 -11.806
25 HE3 TRP 4 HE3 TRP 4 -8.236 0.472 -12.301
26 HZ2 TRP 4 HZ2 TRP 4 -8.623 4.462 -9.363
27 HZ3 TRP 4 HZ3 TRP 4 -8.881 0.211 -9.923
28 HH2 TRP 4 HH2 TRP 4 -9.075 2.198 -8.452
29 H ASN 5 H ASN 5 -9.509 0.500 -14.439
30 HA ASN 5 HA ASN 5 -12.294 1.107 -14.394
31 1HB ASN 5 1HB ASN 5 -10.363 -0.688 -13.030
32 2HB ASN 5 2HB ASN 5 -11.892 -0.433 -12.188
33 1HD2 ASN 5 1HD2 ASN 5 -12.552 -2.674 -12.693
34 2HD2 ASN 5 2HD2 ASN 5 -13.056 -3.091 -14.259
35 HA PRO 6 HA PRO 6 -12.631 4.144 -11.244
36 1HB PRO 6 1HB PRO 6 -15.032 3.474 -10.115
37 2HB PRO 6 2HB PRO 6 -14.893 4.218 -11.721
38 1HG PRO 6 1HG PRO 6 -15.355 1.376 -10.987
39 2HG PRO 6 2HG PRO 6 -16.025 2.320 -12.326
40 1HD PRO 6 1HD PRO 6 -13.974 0.526 -12.596
41 2HD PRO 6 2HD PRO 6 -14.234 1.909 -13.680
42 H ASN 7 H ASN 7 -14.460 1.803 -9.390
43 HA ASN 7 HA ASN 7 -12.583 2.024 -7.149
44 1HB ASN 7 1HB ASN 7 -15.143 1.953 -7.102
45 2HB ASN 7 2HB ASN 7 -15.002 0.229 -7.447
46 1HD2 ASN 7 1HD2 ASN 7 -16.175 0.738 -5.047
47 2HD2 ASN 7 2HD2 ASN 7 -15.100 0.486 -3.758
48 H ALA 8 H ALA 8 -14.017 -0.849 -8.750
49 HA ALA 8 HA ALA 8 -13.099 -3.002 -9.099
50 1HB ALA 8 1HB ALA 8 -10.675 -2.833 -9.866
51 2HB ALA 8 2HB ALA 8 -10.754 -1.117 -9.463
52 3HB ALA 8 3HB ALA 8 -11.802 -1.777 -10.719
53 H PHE 9 H PHE 9 -10.799 -4.231 -8.370
54 HA PHE 9 HA PHE 9 -11.010 -4.382 -5.459
55 1HB PHE 9 1HB PHE 9 -9.564 -5.768 -7.690
56 2HB PHE 9 2HB PHE 9 -8.999 -6.022 -6.039
57 HD1 PHE 9 HD1 PHE 9 -9.689 -8.267 -5.640
58 HD2 PHE 9 HD2 PHE 9 -12.500 -5.384 -7.134
59 HE1 PHE 9 HE1 PHE 9 -11.540 -9.871 -5.250
60 HE2 PHE 9 HE2 PHE 9 -14.351 -6.987 -6.745
61 HZ PHE 9 HZ PHE 9 -13.871 -9.231 -5.803
62 H GLU 10 H GLU 10 -9.781 -3.194 -4.052
63 HA GLU 10 HA GLU 10 -7.979 -1.162 -4.738
64 1HB GLU 10 1HB GLU 10 -8.403 -2.915 -2.325
65 2HB GLU 10 2HB GLU 10 -7.135 -1.687 -2.314
66 1HG GLU 10 1HG GLU 10 -8.625 0.038 -2.241
67 2HG GLU 10 2HG GLU 10 -9.767 -0.773 -3.312
68 H THR 11 H THR 11 -5.584 -1.109 -4.419
69 HA THR 11 HA THR 11 -4.326 -3.660 -5.357
70 HB THR 11 HB THR 11 -3.015 -0.967 -5.484
71 HG1 THR 11 HG1 THR 11 -4.886 -1.793 -7.421
72 1HG2 THR 11 1HG2 THR 11 -2.552 -3.549 -6.518
73 2HG2 THR 11 2HG2 THR 11 -1.669 -2.072 -6.905
74 3HG2 THR 11 3HG2 THR 11 -3.045 -2.559 -7.893
75 H ASP 12 H ASP 12 -1.673 -3.018 -4.760
76 HA ASP 12 HA ASP 12 -1.362 -3.852 -2.073
77 1HB ASP 12 1HB ASP 12 1.002 -3.066 -2.470
78 2HB ASP 12 2HB ASP 12 0.364 -4.068 -3.773
79 H SER 13 H SER 13 0.096 -2.343 -0.534
80 HA SER 13 HA SER 13 -1.422 0.214 -0.208
81 1HB SER 13 1HB SER 13 -0.775 -1.980 1.485
82 2HB SER 13 2HB SER 13 0.059 -0.559 2.104
83 HG SER 13 HG SER 13 -2.586 -0.267 1.273
84 H ASP 14 H ASP 14 1.813 -1.153 0.440
85 HA ASP 14 HA ASP 14 3.060 1.318 -0.625
86 1HB ASP 14 1HB ASP 14 2.491 0.943 2.097
87 2HB ASP 14 2HB ASP 14 4.213 0.586 1.945
88 H LEU 15 H LEU 15 3.152 -1.249 -1.746
89 HA LEU 15 HA LEU 15 5.755 -2.437 -0.912
90 1HB LEU 15 1HB LEU 15 3.390 -3.257 -2.599
91 2HB LEU 15 2HB LEU 15 4.909 -4.141 -2.704
92 HG LEU 15 HG LEU 15 3.336 -5.136 -1.042
93 1HD1 LEU 15 1HD1 LEU 15 5.297 -5.828 -0.171
94 2HD1 LEU 15 2HD1 LEU 15 5.220 -4.449 0.926
95 3HD1 LEU 15 3HD1 LEU 15 6.083 -4.310 -0.605
96 1HD2 LEU 15 1HD2 LEU 15 2.391 -2.855 -0.392
97 2HD2 LEU 15 2HD2 LEU 15 3.850 -2.626 0.572
98 3HD2 LEU 15 3HD2 LEU 15 2.740 -3.944 0.950
99 HA PRO 16 HA PRO 16 7.950 -0.890 -4.390
100 1HB PRO 16 1HB PRO 16 9.260 -3.100 -5.352
101 2HB PRO 16 2HB PRO 16 9.725 -2.273 -3.851
102 1HG PRO 16 1HG PRO 16 8.097 -4.744 -4.221
103 2HG PRO 16 2HG PRO 16 9.357 -4.395 -3.026
104 1HD PRO 16 1HD PRO 16 6.727 -4.275 -2.430
105 2HD PRO 16 2HD PRO 16 7.925 -3.208 -1.666
106 H ALA 17 H ALA 17 8.549 -2.159 -6.846
107 HA ALA 17 HA ALA 17 5.866 -2.145 -8.096
108 1HB ALA 17 1HB ALA 17 8.400 -2.494 -9.633
109 2HB ALA 17 2HB ALA 17 8.199 -0.982 -8.748
110 3HB ALA 17 3HB ALA 17 7.019 -1.450 -9.973
111 H GLY 18 H GLY 18 4.846 -4.008 -8.647
112 1HA GLY 18 1HA GLY 18 4.751 -6.173 -9.704
113 2HA GLY 18 2HA GLY 18 6.461 -6.398 -9.345
114 H TRP 19 H TRP 19 5.802 -5.322 -6.509
115 HA TRP 19 HA TRP 19 5.167 -8.004 -5.418
116 1HB TRP 19 1HB TRP 19 6.343 -5.419 -4.473
117 2HB TRP 19 2HB TRP 19 5.634 -6.491 -3.263
118 HD1 TRP 19 HD1 TRP 19 8.650 -6.049 -5.425
119 HE1 TRP 19 HE1 TRP 19 10.268 -8.029 -5.097
120 HE3 TRP 19 HE3 TRP 19 5.648 -9.213 -2.767
121 HZ2 TRP 19 HZ2 TRP 19 10.286 -10.614 -3.873
122 HZ3 TRP 19 HZ3 TRP 19 6.491 -11.428 -2.036
123 HH2 TRP 19 HH2 TRP 19 8.803 -12.130 -2.586
124 H MET 20 H MET 20 3.152 -8.516 -4.662
125 HA MET 20 HA MET 20 1.136 -6.318 -4.434
126 1HB MET 20 1HB MET 20 0.743 -9.316 -4.627
127 2HB MET 20 2HB MET 20 -0.464 -8.066 -4.910
128 1HG MET 20 1HG MET 20 2.066 -8.219 -6.545
129 2HG MET 20 2HG MET 20 0.618 -9.123 -6.988
130 1HE MET 20 1HE MET 20 1.812 -5.518 -8.597
131 2HE MET 20 2HE MET 20 2.662 -6.643 -7.541
132 3HE MET 20 3HE MET 20 2.022 -5.140 -6.882
133 H ARG 21 H ARG 21 -0.533 -6.666 -2.702
134 HA ARG 21 HA ARG 21 0.678 -7.872 -0.232
135 1HB ARG 21 1HB ARG 21 0.584 -5.380 -0.312
136 2HB ARG 21 2HB ARG 21 -1.160 -5.473 -0.555
137 1HG ARG 21 1HG ARG 21 -1.378 -6.677 1.607
138 2HG ARG 21 2HG ARG 21 0.359 -6.502 1.860
139 1HD ARG 21 1HD ARG 21 -0.070 -3.951 1.516
140 2HD ARG 21 2HD ARG 21 -1.763 -4.358 1.856
141 HE ARG 21 HE ARG 21 -1.016 -5.306 4.021
142 1HH1 ARG 21 1HH1 ARG 21 0.495 -2.595 2.770
143 2HH1 ARG 21 2HH1 ARG 21 1.841 -2.618 3.860
144 1HH2 ARG 21 1HH2 ARG 21 1.047 -5.720 5.193
145 2HH2 ARG 21 2HH2 ARG 21 2.155 -4.389 5.230
146 H VAL 22 H VAL 22 -0.469 -9.765 0.117
147 HA VAL 22 HA VAL 22 -3.423 -9.718 -0.391
148 HB VAL 22 HB VAL 22 -1.507 -12.049 -0.142
149 1HG1 VAL 22 1HG1 VAL 22 -4.416 -11.738 -0.655
150 2HG1 VAL 22 2HG1 VAL 22 -3.543 -13.063 0.116
151 3HG1 VAL 22 3HG1 VAL 22 -3.569 -12.930 -1.642
152 1HG2 VAL 22 1HG2 VAL 22 -1.472 -12.116 -2.568
153 2HG2 VAL 22 2HG2 VAL 22 -1.004 -10.492 -2.064
154 3HG2 VAL 22 3HG2 VAL 22 -2.636 -10.794 -2.662
155 H GLN 23 H GLN 23 -4.692 -11.095 1.139
156 HA GLN 23 HA GLN 23 -3.553 -11.008 3.914
157 1HB GLN 23 1HB GLN 23 -5.755 -9.679 2.756
158 2HB GLN 23 2HB GLN 23 -6.451 -10.960 3.749
159 1HG GLN 23 1HG GLN 23 -5.669 -10.057 5.709
160 2HG GLN 23 2HG GLN 23 -4.212 -9.411 4.951
161 1HE2 GLN 23 1HE2 GLN 23 -4.217 -7.177 4.707
162 2HE2 GLN 23 2HE2 GLN 23 -5.608 -6.208 4.610
163 H ASP 24 H ASP 24 -3.126 -13.132 4.445
164 HA ASP 24 HA ASP 24 -5.110 -15.212 3.600
165 1HB ASP 24 1HB ASP 24 -2.287 -14.955 3.397
166 2HB ASP 24 2HB ASP 24 -2.620 -16.276 4.511
167 H THR 25 H THR 25 -4.900 -17.186 5.243
168 HA THR 25 HA THR 25 -5.996 -16.390 7.744
169 HB THR 25 HB THR 25 -5.850 -18.747 8.238
170 HG1 THR 25 HG1 THR 25 -4.136 -19.228 6.095
171 1HG2 THR 25 1HG2 THR 25 -7.133 -17.875 6.112
172 2HG2 THR 25 2HG2 THR 25 -6.963 -19.609 6.383
173 3HG2 THR 25 3HG2 THR 25 -5.902 -18.788 5.238
174 H SER 26 H SER 26 -2.680 -17.458 6.923
175 HA SER 26 HA SER 26 -1.610 -17.285 9.572
176 1HB SER 26 1HB SER 26 -0.723 -17.623 6.806
177 2HB SER 26 2HB SER 26 0.452 -16.743 7.780
178 HG SER 26 HG SER 26 0.953 -18.736 8.332
179 H GLY 27 H GLY 27 -2.191 -14.861 7.093
180 1HA GLY 27 1HA GLY 27 -2.370 -12.584 8.498
181 2HA GLY 27 2HA GLY 27 -0.625 -12.833 8.572
182 H THR 28 H THR 28 -1.225 -10.573 7.355
183 HA THR 28 HA THR 28 -1.776 -10.857 4.498
184 HB THR 28 HB THR 28 -0.562 -8.509 5.975
185 HG1 THR 28 HG1 THR 28 -2.930 -7.999 6.154
186 1HG2 THR 28 1HG2 THR 28 -1.789 -7.205 4.316
187 2HG2 THR 28 2HG2 THR 28 -2.504 -8.675 3.655
188 3HG2 THR 28 3HG2 THR 28 -0.771 -8.390 3.497
189 H TYR 29 H TYR 29 -0.233 -11.616 3.097
190 HA TYR 29 HA TYR 29 2.646 -11.108 3.764
191 1HB TYR 29 1HB TYR 29 3.061 -13.174 2.519
192 2HB TYR 29 2HB TYR 29 1.832 -13.466 3.745
193 HD1 TYR 29 HD1 TYR 29 2.530 -13.213 0.162
194 HD2 TYR 29 HD2 TYR 29 -0.554 -13.677 3.116
195 HE1 TYR 29 HE1 TYR 29 0.953 -13.958 -1.601
196 HE2 TYR 29 HE2 TYR 29 -2.131 -14.421 1.352
197 HH TYR 29 HH TYR 29 -1.054 -14.911 -1.987
198 H TYR 30 H TYR 30 3.540 -11.882 1.123
199 HA TYR 30 HA TYR 30 2.384 -9.717 -0.596
200 1HB TYR 30 1HB TYR 30 5.300 -10.300 0.018
201 2HB TYR 30 2HB TYR 30 4.735 -9.093 -1.138
202 HD1 TYR 30 HD1 TYR 30 2.585 -7.703 0.041
203 HD2 TYR 30 HD2 TYR 30 6.054 -9.321 1.991
204 HE1 TYR 30 HE1 TYR 30 2.316 -6.063 1.882
205 HE2 TYR 30 HE2 TYR 30 5.785 -7.681 3.832
206 HH TYR 30 HH TYR 30 4.597 -5.217 3.939
207 H TRP 31 H TRP 31 2.557 -10.137 -2.859
208 HA TRP 31 HA TRP 31 3.403 -12.930 -3.561
209 1HB TRP 31 1HB TRP 31 1.024 -12.699 -3.721
210 2HB TRP 31 2HB TRP 31 1.163 -11.130 -4.510
211 HD1 TRP 31 HD1 TRP 31 3.567 -13.745 -5.707
212 HE1 TRP 31 HE1 TRP 31 2.870 -14.560 -8.052
213 HE3 TRP 31 HE3 TRP 31 -1.044 -11.580 -6.059
214 HZ2 TRP 31 HZ2 TRP 31 0.650 -14.322 -9.842
215 HZ3 TRP 31 HZ3 TRP 31 -2.427 -11.889 -8.092
216 HH2 TRP 31 HH2 TRP 31 -1.587 -13.256 -9.982
217 H HIS 32 H HIS 32 5.277 -12.836 -4.736
218 HA HIS 32 HA HIS 32 6.132 -10.429 -6.138
219 1HB HIS 32 1HB HIS 32 7.367 -12.507 -4.958
220 2HB HIS 32 2HB HIS 32 7.381 -13.096 -6.621
221 HD1 HIS 32 HD1 HIS 32 10.103 -12.524 -5.754
222 HD2 HIS 32 HD2 HIS 32 7.649 -9.426 -7.082
223 HE1 HIS 32 HE1 HIS 32 11.641 -10.631 -6.433
224 H ILE 33 H ILE 33 5.121 -9.891 -8.009
225 HA ILE 33 HA ILE 33 3.716 -11.707 -9.731
226 HB ILE 33 HB ILE 33 4.750 -8.884 -10.028
227 1HG1 ILE 33 1HG1 ILE 33 3.127 -9.214 -8.220
228 2HG1 ILE 33 2HG1 ILE 33 2.365 -8.357 -9.555
229 1HG2 ILE 33 1HG2 ILE 33 3.056 -8.722 -11.860
230 2HG2 ILE 33 2HG2 ILE 33 2.801 -10.463 -11.738
231 3HG2 ILE 33 3HG2 ILE 33 4.368 -9.835 -12.248
232 1HD1 ILE 33 1HD1 ILE 33 0.814 -10.047 -8.909
233 2HD1 ILE 33 2HD1 ILE 33 2.080 -11.272 -8.831
234 3HD1 ILE 33 3HD1 ILE 33 1.570 -10.628 -10.392
235 HA PRO 34 HA PRO 34 7.523 -11.149 -12.608
236 1HB PRO 34 1HB PRO 34 9.905 -10.482 -11.438
237 2HB PRO 34 2HB PRO 34 8.756 -9.286 -12.068
238 1HG PRO 34 1HG PRO 34 9.272 -10.127 -9.272
239 2HG PRO 34 2HG PRO 34 8.846 -8.534 -9.915
240 1HD PRO 34 1HD PRO 34 7.093 -10.232 -8.660
241 2HD PRO 34 2HD PRO 34 6.611 -8.948 -9.787
242 H THR 35 H THR 35 8.728 -12.181 -9.371
243 HA THR 35 HA THR 35 10.072 -14.506 -10.588
244 HB THR 35 HB THR 35 10.888 -14.833 -8.319
245 HG1 THR 35 HG1 THR 35 9.752 -14.211 -6.678
246 1HG2 THR 35 1HG2 THR 35 10.755 -12.028 -9.371
247 2HG2 THR 35 2HG2 THR 35 12.141 -13.111 -9.252
248 3HG2 THR 35 3HG2 THR 35 11.509 -12.325 -7.805
249 H GLY 36 H GLY 36 7.067 -13.791 -8.973
250 1HA GLY 36 1HA GLY 36 5.145 -15.187 -8.874
251 2HA GLY 36 2HA GLY 36 6.122 -16.523 -9.486
252 H THR 37 H THR 37 8.094 -15.535 -7.201
253 HA THR 37 HA THR 37 7.333 -17.584 -5.303
254 HB THR 37 HB THR 37 9.300 -15.291 -5.090
255 HG1 THR 37 HG1 THR 37 9.654 -17.943 -6.028
256 1HG2 THR 37 1HG2 THR 37 9.127 -16.213 -2.946
257 2HG2 THR 37 2HG2 THR 37 10.473 -17.109 -3.653
258 3HG2 THR 37 3HG2 THR 37 8.872 -17.843 -3.567
259 H THR 38 H THR 38 7.050 -17.058 -2.940
260 HA THR 38 HA THR 38 5.441 -14.551 -2.567
261 HB THR 38 HB THR 38 4.473 -16.288 -0.709
262 HG1 THR 38 HG1 THR 38 4.956 -17.903 -2.965
263 1HG2 THR 38 1HG2 THR 38 3.733 -15.449 -3.428
264 2HG2 THR 38 2HG2 THR 38 2.760 -15.485 -1.957
265 3HG2 THR 38 3HG2 THR 38 2.968 -16.952 -2.913
266 H GLN 39 H GLN 39 5.544 -13.656 -0.362
267 HA GLN 39 HA GLN 39 7.695 -14.690 1.406
268 1HB GLN 39 1HB GLN 39 7.652 -11.974 0.053
269 2HB GLN 39 2HB GLN 39 8.733 -12.386 1.385
270 1HG GLN 39 1HG GLN 39 9.450 -14.401 -0.056
271 2HG GLN 39 2HG GLN 39 8.660 -13.563 -1.393
272 1HE2 GLN 39 1HE2 GLN 39 11.665 -14.046 -0.407
273 2HE2 GLN 39 2HE2 GLN 39 12.364 -12.522 -0.670
274 H TRP 40 H TRP 40 7.838 -12.782 3.282
275 HA TRP 40 HA TRP 40 5.026 -12.000 3.964
276 1HB TRP 40 1HB TRP 40 7.059 -13.538 5.601
277 2HB TRP 40 2HB TRP 40 5.603 -12.828 6.298
278 HD1 TRP 40 HD1 TRP 40 6.704 -15.454 3.722
279 HE1 TRP 40 HE1 TRP 40 4.775 -17.131 3.388
280 HE3 TRP 40 HE3 TRP 40 3.090 -13.216 6.553
281 HZ2 TRP 40 HZ2 TRP 40 2.058 -17.476 4.212
282 HZ3 TRP 40 HZ3 TRP 40 0.843 -14.239 6.760
283 HH2 TRP 40 HH2 TRP 40 0.322 -16.364 5.594
284 H GLU 41 H GLU 41 8.128 -10.958 3.473
285 HA GLU 41 HA GLU 41 7.934 -8.823 5.572
286 1HB GLU 41 1HB GLU 41 10.362 -9.735 4.004
287 2HB GLU 41 2HB GLU 41 10.340 -8.762 5.476
288 1HG GLU 41 1HG GLU 41 9.165 -10.773 6.576
289 2HG GLU 41 2HG GLU 41 9.685 -11.693 5.164
290 HA PRO 42 HA PRO 42 7.584 -5.809 2.403
291 1HB PRO 42 1HB PRO 42 9.077 -3.748 3.410
292 2HB PRO 42 2HB PRO 42 7.495 -4.208 4.072
293 1HG PRO 42 1HG PRO 42 10.221 -4.824 5.087
294 2HG PRO 42 2HG PRO 42 8.744 -4.436 5.981
295 1HD PRO 42 1HD PRO 42 9.723 -6.972 5.691
296 2HD PRO 42 2HD PRO 42 8.006 -6.599 5.955
297 HA PRO 43 HA PRO 43 11.391 -6.771 0.185
298 1HB PRO 43 1HB PRO 43 10.326 -6.359 -2.301
299 2HB PRO 43 2HB PRO 43 10.090 -7.861 -1.387
300 1HG PRO 43 1HG PRO 43 8.245 -5.557 -1.748
301 2HG PRO 43 2HG PRO 43 7.889 -7.290 -1.688
302 1HD PRO 43 1HD PRO 43 7.479 -5.586 0.407
303 2HD PRO 43 2HD PRO 43 7.800 -7.324 0.596
304 H GLY 44 H GLY 44 11.934 -5.357 -2.190
305 1HA GLY 44 1HA GLY 44 11.630 -2.803 -2.730
306 2HA GLY 44 2HA GLY 44 12.306 -2.607 -1.112
307 H ARG 45 H ARG 45 13.043 -4.386 -4.136
308 HA ARG 45 HA ARG 45 15.945 -4.127 -3.528
309 1HB ARG 45 1HB ARG 45 14.644 -6.256 -4.267
310 2HB ARG 45 2HB ARG 45 14.667 -5.531 -5.875
311 1HG ARG 45 1HG ARG 45 16.975 -5.704 -6.071
312 2HG ARG 45 2HG ARG 45 17.229 -5.674 -4.325
313 1HD ARG 45 1HD ARG 45 15.761 -7.972 -4.588
314 2HD ARG 45 2HD ARG 45 16.695 -7.980 -6.098
315 HE ARG 45 HE ARG 45 18.345 -7.243 -3.830
316 1HH1 ARG 45 1HH1 ARG 45 17.105 -9.781 -2.883
317 2HH1 ARG 45 2HH1 ARG 45 18.170 -10.982 -3.532
318 1HH2 ARG 45 1HH2 ARG 45 19.641 -8.824 -5.815
319 2HH2 ARG 45 2HH2 ARG 45 19.608 -10.439 -5.192
320 H ALA 46 H ALA 46 13.480 -2.715 -5.505
321 HA ALA 46 HA ALA 46 15.287 -1.736 -7.598
322 1HB ALA 46 1HB ALA 46 12.418 -1.156 -6.801
323 2HB ALA 46 2HB ALA 46 12.961 -2.238 -8.084
324 3HB ALA 46 3HB ALA 46 13.185 -0.497 -8.245
325 H SER 47 H SER 47 16.328 0.244 -7.596
326 HA SER 47 HA SER 47 17.043 2.366 -6.834
327 1HB SER 47 1HB SER 47 15.277 3.760 -6.335
328 2HB SER 47 2HB SER 47 14.341 2.374 -6.889
329 HG SER 47 HG SER 47 13.715 3.214 -4.801
330 HA PRO 48 HA PRO 48 18.784 1.552 -2.886
331 1HB PRO 48 1HB PRO 48 19.470 4.086 -2.105
332 2HB PRO 48 2HB PRO 48 20.346 3.190 -3.363
333 1HG PRO 48 1HG PRO 48 18.299 5.333 -3.643
334 2HG PRO 48 2HG PRO 48 19.766 5.040 -4.589
335 1HD PRO 48 1HD PRO 48 17.264 4.365 -5.441
336 2HD PRO 48 2HD PRO 48 18.740 3.517 -5.954
337 H SER 49 H SER 49 17.652 4.748 -1.997
338 HA SER 49 HA SER 49 15.853 3.495 0.036
339 1HB SER 49 1HB SER 49 17.376 4.838 1.160
340 2HB SER 49 2HB SER 49 17.542 5.953 -0.193
341 HG SER 49 HG SER 49 15.430 5.730 1.681
342 H GLN 50 H GLN 50 13.737 4.479 0.381
343 HA GLN 50 HA GLN 50 12.698 5.916 -2.041
344 1HB GLN 50 1HB GLN 50 12.024 3.459 -1.035
345 2HB GLN 50 2HB GLN 50 10.837 4.491 -0.236
346 1HG GLN 50 1HG GLN 50 11.347 4.768 -3.190
347 2HG GLN 50 2HG GLN 50 10.257 3.519 -2.586
348 1HE2 GLN 50 1HE2 GLN 50 9.087 5.480 -4.146
349 2HE2 GLN 50 2HE2 GLN 50 8.176 6.543 -3.185
Start of MODEL 23
1 H ASP 1 H ASP 1 -14.831 6.819 1.585
2 HA ASP 1 HA ASP 1 -17.424 6.886 0.241
3 1HB ASP 1 1HB ASP 1 -14.782 8.376 0.208
4 2HB ASP 1 2HB ASP 1 -16.150 8.808 -0.818
5 H SER 2 H SER 2 -17.685 5.348 -1.354
6 HA SER 2 HA SER 2 -15.972 5.301 -3.661
7 1HB SER 2 1HB SER 2 -15.130 2.918 -3.202
8 2HB SER 2 2HB SER 2 -14.387 4.201 -2.251
9 HG SER 2 HG SER 2 -15.939 2.103 -1.465
10 H PHE 3 H PHE 3 -16.436 2.729 -4.607
11 HA PHE 3 HA PHE 3 -19.219 1.926 -4.157
12 1HB PHE 3 1HB PHE 3 -19.089 4.106 -5.598
13 2HB PHE 3 2HB PHE 3 -18.542 3.026 -6.881
14 HD1 PHE 3 HD1 PHE 3 -20.257 2.482 -8.354
15 HD2 PHE 3 HD2 PHE 3 -21.120 2.785 -4.157
16 HE1 PHE 3 HE1 PHE 3 -22.603 1.806 -8.787
17 HE2 PHE 3 HE2 PHE 3 -23.467 2.110 -4.591
18 HZ PHE 3 HZ PHE 3 -24.208 1.620 -6.907
19 H TRP 4 H TRP 4 -16.718 1.891 -6.735
20 HA TRP 4 HA TRP 4 -17.247 -0.643 -7.821
21 1HB TRP 4 1HB TRP 4 -15.377 1.375 -8.079
22 2HB TRP 4 2HB TRP 4 -14.399 0.026 -7.503
23 HD1 TRP 4 HD1 TRP 4 -16.568 1.134 -10.429
24 HE1 TRP 4 HE1 TRP 4 -16.186 -0.471 -12.409
25 HE3 TRP 4 HE3 TRP 4 -13.704 -2.423 -8.142
26 HZ2 TRP 4 HZ2 TRP 4 -14.844 -2.938 -12.952
27 HZ3 TRP 4 HZ3 TRP 4 -12.888 -4.388 -9.413
28 HH2 TRP 4 HH2 TRP 4 -13.454 -4.650 -11.814
29 H ASN 5 H ASN 5 -15.917 0.156 -4.713
30 HA ASN 5 HA ASN 5 -14.880 -2.608 -4.312
31 1HB ASN 5 1HB ASN 5 -14.479 0.101 -3.173
32 2HB ASN 5 2HB ASN 5 -14.379 -1.228 -2.016
33 1HD2 ASN 5 1HD2 ASN 5 -12.509 0.553 -4.162
34 2HD2 ASN 5 2HD2 ASN 5 -11.262 -0.568 -4.421
35 HA PRO 6 HA PRO 6 -18.937 -3.179 -2.403
36 1HB PRO 6 1HB PRO 6 -18.841 -5.912 -2.491
37 2HB PRO 6 2HB PRO 6 -19.310 -4.916 -3.884
38 1HG PRO 6 1HG PRO 6 -16.713 -6.241 -3.297
39 2HG PRO 6 2HG PRO 6 -17.554 -6.038 -4.842
40 1HD PRO 6 1HD PRO 6 -15.434 -4.503 -4.051
41 2HD PRO 6 2HD PRO 6 -16.685 -3.954 -5.187
42 H ASN 7 H ASN 7 -15.795 -4.484 -1.552
43 HA ASN 7 HA ASN 7 -16.721 -4.721 1.294
44 1HB ASN 7 1HB ASN 7 -15.996 -6.773 -0.380
45 2HB ASN 7 2HB ASN 7 -14.460 -6.402 0.405
46 1HD2 ASN 7 1HD2 ASN 7 -17.571 -7.879 0.865
47 2HD2 ASN 7 2HD2 ASN 7 -17.378 -8.260 2.508
48 H ALA 8 H ALA 8 -15.189 -2.619 -0.429
49 HA ALA 8 HA ALA 8 -13.378 -1.139 -0.080
50 1HB ALA 8 1HB ALA 8 -14.463 -0.832 2.044
51 2HB ALA 8 2HB ALA 8 -12.743 -1.023 2.388
52 3HB ALA 8 3HB ALA 8 -13.849 -2.372 2.647
53 H PHE 9 H PHE 9 -12.184 -3.330 2.384
54 HA PHE 9 HA PHE 9 -10.198 -4.602 2.491
55 1HB PHE 9 1HB PHE 9 -11.483 -5.851 0.774
56 2HB PHE 9 2HB PHE 9 -10.801 -4.812 -0.478
57 HD1 PHE 9 HD1 PHE 9 -9.256 -6.391 2.549
58 HD2 PHE 9 HD2 PHE 9 -9.296 -6.093 -1.736
59 HE1 PHE 9 HE1 PHE 9 -7.253 -7.848 2.429
60 HE2 PHE 9 HE2 PHE 9 -7.293 -7.549 -1.856
61 HZ PHE 9 HZ PHE 9 -6.271 -8.427 0.226
62 H GLU 10 H GLU 10 -8.320 -3.484 2.855
63 HA GLU 10 HA GLU 10 -7.457 -1.264 1.192
64 1HB GLU 10 1HB GLU 10 -6.213 -2.864 3.448
65 2HB GLU 10 2HB GLU 10 -5.474 -1.417 2.763
66 1HG GLU 10 1HG GLU 10 -7.046 -0.009 3.677
67 2HG GLU 10 2HG GLU 10 -8.331 -1.215 3.586
68 H THR 11 H THR 11 -5.527 -1.212 -0.121
69 HA THR 11 HA THR 11 -4.738 -3.894 -1.197
70 HB THR 11 HB THR 11 -4.145 -1.293 -2.556
71 HG1 THR 11 HG1 THR 11 -6.390 -1.609 -3.426
72 1HG2 THR 11 1HG2 THR 11 -3.666 -2.786 -4.166
73 2HG2 THR 11 2HG2 THR 11 -5.384 -3.178 -4.244
74 3HG2 THR 11 3HG2 THR 11 -4.313 -4.107 -3.194
75 H ASP 12 H ASP 12 -2.366 -3.405 -2.361
76 HA ASP 12 HA ASP 12 -0.405 -3.517 -0.384
77 1HB ASP 12 1HB ASP 12 -0.057 -4.066 -2.741
78 2HB ASP 12 2HB ASP 12 -0.286 -2.376 -3.195
79 H SER 13 H SER 13 1.136 -1.900 0.398
80 HA SER 13 HA SER 13 -0.094 0.803 0.657
81 1HB SER 13 1HB SER 13 1.990 0.765 2.381
82 2HB SER 13 2HB SER 13 0.413 0.091 2.782
83 HG SER 13 HG SER 13 2.518 -1.369 1.558
84 H ASP 14 H ASP 14 3.337 0.262 1.078
85 HA ASP 14 HA ASP 14 3.865 1.878 -1.396
86 1HB ASP 14 1HB ASP 14 5.113 2.003 1.368
87 2HB ASP 14 2HB ASP 14 5.684 2.927 -0.021
88 H LEU 15 H LEU 15 4.008 -0.715 -1.892
89 HA LEU 15 HA LEU 15 6.682 -1.799 -1.213
90 1HB LEU 15 1HB LEU 15 4.149 -2.763 -2.530
91 2HB LEU 15 2HB LEU 15 5.635 -3.696 -2.695
92 HG LEU 15 HG LEU 15 4.411 -4.535 -0.775
93 1HD1 LEU 15 1HD1 LEU 15 6.397 -2.917 0.695
94 2HD1 LEU 15 2HD1 LEU 15 7.030 -3.748 -0.725
95 3HD1 LEU 15 3HD1 LEU 15 6.250 -4.670 0.560
96 1HD2 LEU 15 1HD2 LEU 15 4.575 -1.754 0.410
97 2HD2 LEU 15 2HD2 LEU 15 3.667 -3.136 1.021
98 3HD2 LEU 15 3HD2 LEU 15 3.154 -2.332 -0.461
99 HA PRO 16 HA PRO 16 8.578 -0.817 -5.049
100 1HB PRO 16 1HB PRO 16 9.813 -3.161 -5.754
101 2HB PRO 16 2HB PRO 16 10.388 -2.122 -4.434
102 1HG PRO 16 1HG PRO 16 8.759 -4.613 -4.306
103 2HG PRO 16 2HG PRO 16 10.083 -4.077 -3.260
104 1HD PRO 16 1HD PRO 16 7.473 -3.872 -2.554
105 2HD PRO 16 2HD PRO 16 8.717 -2.733 -1.995
106 H ALA 17 H ALA 17 8.698 -1.599 -7.446
107 HA ALA 17 HA ALA 17 5.995 -2.255 -8.321
108 1HB ALA 17 1HB ALA 17 6.771 -1.411 -10.308
109 2HB ALA 17 2HB ALA 17 8.290 -2.301 -10.208
110 3HB ALA 17 3HB ALA 17 8.079 -0.810 -9.290
111 H GLY 18 H GLY 18 5.251 -4.324 -8.482
112 1HA GLY 18 1HA GLY 18 5.519 -6.476 -9.713
113 2HA GLY 18 2HA GLY 18 7.207 -6.469 -9.207
114 H TRP 19 H TRP 19 5.470 -5.290 -6.641
115 HA TRP 19 HA TRP 19 5.202 -8.034 -5.451
116 1HB TRP 19 1HB TRP 19 6.348 -5.426 -4.507
117 2HB TRP 19 2HB TRP 19 5.676 -6.538 -3.318
118 HD1 TRP 19 HD1 TRP 19 8.642 -5.998 -5.543
119 HE1 TRP 19 HE1 TRP 19 10.328 -7.923 -5.236
120 HE3 TRP 19 HE3 TRP 19 5.804 -9.224 -2.781
121 HZ2 TRP 19 HZ2 TRP 19 10.456 -10.493 -3.986
122 HZ3 TRP 19 HZ3 TRP 19 6.733 -11.402 -2.048
123 HH2 TRP 19 HH2 TRP 19 9.052 -12.039 -2.646
124 H MET 20 H MET 20 3.295 -8.425 -4.289
125 HA MET 20 HA MET 20 1.267 -6.217 -4.252
126 1HB MET 20 1HB MET 20 0.833 -9.209 -4.480
127 2HB MET 20 2HB MET 20 -0.374 -7.948 -4.710
128 1HG MET 20 1HG MET 20 1.903 -7.454 -6.415
129 2HG MET 20 2HG MET 20 1.295 -9.088 -6.678
130 1HE MET 20 1HE MET 20 -0.442 -5.372 -6.031
131 2HE MET 20 2HE MET 20 -0.394 -5.096 -7.770
132 3HE MET 20 3HE MET 20 1.081 -5.538 -6.914
133 H ARG 21 H ARG 21 -0.418 -6.577 -2.511
134 HA ARG 21 HA ARG 21 0.805 -7.816 -0.066
135 1HB ARG 21 1HB ARG 21 0.759 -5.355 -0.035
136 2HB ARG 21 2HB ARG 21 -0.967 -5.372 -0.400
137 1HG ARG 21 1HG ARG 21 -1.374 -6.627 1.712
138 2HG ARG 21 2HG ARG 21 0.345 -6.504 2.088
139 1HD ARG 21 1HD ARG 21 0.237 -4.185 2.443
140 2HD ARG 21 2HD ARG 21 -1.241 -4.012 1.476
141 HE ARG 21 HE ARG 21 -1.621 -5.764 3.766
142 1HH1 ARG 21 1HH1 ARG 21 -1.301 -2.470 2.800
143 2HH1 ARG 21 2HH1 ARG 21 -2.423 -1.877 3.979
144 1HH2 ARG 21 1HH2 ARG 21 -3.169 -5.019 5.242
145 2HH2 ARG 21 2HH2 ARG 21 -3.477 -3.319 5.363
146 H VAL 22 H VAL 22 -0.329 -9.763 0.055
147 HA VAL 22 HA VAL 22 -3.300 -9.662 -0.296
148 HB VAL 22 HB VAL 22 -1.443 -12.048 -0.194
149 1HG1 VAL 22 1HG1 VAL 22 -3.522 -12.995 -0.086
150 2HG1 VAL 22 2HG1 VAL 22 -3.492 -12.718 -1.827
151 3HG1 VAL 22 3HG1 VAL 22 -4.316 -11.575 -0.767
152 1HG2 VAL 22 1HG2 VAL 22 -1.708 -9.990 -2.220
153 2HG2 VAL 22 2HG2 VAL 22 -2.234 -11.550 -2.854
154 3HG2 VAL 22 3HG2 VAL 22 -0.613 -11.373 -2.183
155 H GLN 23 H GLN 23 -4.538 -11.069 1.225
156 HA GLN 23 HA GLN 23 -3.273 -11.150 3.945
157 1HB GLN 23 1HB GLN 23 -5.371 -9.607 3.041
158 2HB GLN 23 2HB GLN 23 -6.211 -10.992 3.740
159 1HG GLN 23 1HG GLN 23 -5.510 -10.518 5.873
160 2HG GLN 23 2HG GLN 23 -3.970 -9.851 5.331
161 1HE2 GLN 23 1HE2 GLN 23 -4.119 -7.798 6.391
162 2HE2 GLN 23 2HE2 GLN 23 -5.316 -6.655 6.020
163 H ASP 24 H ASP 24 -2.713 -13.379 3.899
164 HA ASP 24 HA ASP 24 -4.851 -15.343 3.243
165 1HB ASP 24 1HB ASP 24 -2.032 -15.134 2.930
166 2HB ASP 24 2HB ASP 24 -2.348 -16.501 3.995
167 H THR 25 H THR 25 -4.886 -17.307 4.790
168 HA THR 25 HA THR 25 -5.763 -16.627 7.356
169 HB THR 25 HB THR 25 -4.986 -19.105 7.798
170 HG1 THR 25 HG1 THR 25 -4.215 -20.132 6.079
171 1HG2 THR 25 1HG2 THR 25 -6.748 -19.142 5.453
172 2HG2 THR 25 2HG2 THR 25 -7.218 -17.946 6.660
173 3HG2 THR 25 3HG2 THR 25 -7.074 -19.645 7.111
174 H SER 26 H SER 26 -2.540 -18.040 6.634
175 HA SER 26 HA SER 26 -1.345 -17.791 9.138
176 1HB SER 26 1HB SER 26 0.530 -18.321 7.941
177 2HB SER 26 2HB SER 26 -0.597 -18.464 6.594
178 HG SER 26 HG SER 26 -0.154 -16.292 6.087
179 H GLY 27 H GLY 27 -1.970 -15.252 6.767
180 1HA GLY 27 1HA GLY 27 -2.257 -13.048 8.256
181 2HA GLY 27 2HA GLY 27 -0.512 -13.263 8.405
182 H THR 28 H THR 28 -0.961 -10.977 7.269
183 HA THR 28 HA THR 28 -1.467 -11.103 4.391
184 HB THR 28 HB THR 28 -0.181 -8.863 5.964
185 HG1 THR 28 HG1 THR 28 -1.980 -8.572 6.994
186 1HG2 THR 28 1HG2 THR 28 -0.602 -8.890 3.386
187 2HG2 THR 28 2HG2 THR 28 -1.067 -7.463 4.312
188 3HG2 THR 28 3HG2 THR 28 -2.289 -8.641 3.834
189 H TYR 29 H TYR 29 0.063 -11.753 2.935
190 HA TYR 29 HA TYR 29 2.948 -11.474 3.711
191 1HB TYR 29 1HB TYR 29 3.310 -13.436 2.311
192 2HB TYR 29 2HB TYR 29 1.998 -13.777 3.434
193 HD1 TYR 29 HD1 TYR 29 2.866 -13.045 -0.072
194 HD2 TYR 29 HD2 TYR 29 -0.309 -13.972 2.669
195 HE1 TYR 29 HE1 TYR 29 1.361 -13.533 -1.981
196 HE2 TYR 29 HE2 TYR 29 -1.814 -14.459 0.760
197 HH TYR 29 HH TYR 29 -0.862 -15.114 -2.209
198 H TYR 30 H TYR 30 3.990 -11.959 1.144
199 HA TYR 30 HA TYR 30 2.962 -9.639 -0.457
200 1HB TYR 30 1HB TYR 30 5.749 -10.388 0.442
201 2HB TYR 30 2HB TYR 30 5.488 -9.315 -0.934
202 HD1 TYR 30 HD1 TYR 30 5.229 -9.683 2.709
203 HD2 TYR 30 HD2 TYR 30 4.405 -7.119 -0.637
204 HE1 TYR 30 HE1 TYR 30 4.855 -7.781 4.257
205 HE2 TYR 30 HE2 TYR 30 4.030 -5.219 0.912
206 HH TYR 30 HH TYR 30 3.262 -5.203 3.646
207 H TRP 31 H TRP 31 2.331 -10.416 -2.428
208 HA TRP 31 HA TRP 31 3.374 -12.992 -3.433
209 1HB TRP 31 1HB TRP 31 1.026 -12.652 -3.622
210 2HB TRP 31 2HB TRP 31 1.234 -11.010 -4.220
211 HD1 TRP 31 HD1 TRP 31 3.128 -14.083 -5.534
212 HE1 TRP 31 HE1 TRP 31 2.556 -14.385 -8.030
213 HE3 TRP 31 HE3 TRP 31 -0.438 -10.467 -6.066
214 HZ2 TRP 31 HZ2 TRP 31 0.815 -13.245 -9.993
215 HZ3 TRP 31 HZ3 TRP 31 -1.536 -10.096 -8.257
216 HH2 TRP 31 HH2 TRP 31 -0.914 -11.479 -10.219
217 H HIS 32 H HIS 32 4.736 -13.174 -5.241
218 HA HIS 32 HA HIS 32 5.938 -10.627 -6.209
219 1HB HIS 32 1HB HIS 32 7.148 -12.693 -5.177
220 2HB HIS 32 2HB HIS 32 6.921 -13.422 -6.765
221 HD1 HIS 32 HD1 HIS 32 7.508 -9.731 -6.525
222 HD2 HIS 32 HD2 HIS 32 9.734 -13.170 -7.299
223 HE1 HIS 32 HE1 HIS 32 9.739 -8.952 -7.432
224 H ILE 33 H ILE 33 4.744 -9.896 -7.911
225 HA ILE 33 HA ILE 33 3.198 -11.394 -9.738
226 HB ILE 33 HB ILE 33 4.597 -8.719 -10.020
227 1HG1 ILE 33 1HG1 ILE 33 1.945 -9.576 -8.830
228 2HG1 ILE 33 2HG1 ILE 33 3.265 -8.732 -8.019
229 1HG2 ILE 33 1HG2 ILE 33 3.502 -8.447 -11.976
230 2HG2 ILE 33 2HG2 ILE 33 1.987 -9.017 -11.276
231 3HG2 ILE 33 3HG2 ILE 33 3.149 -10.174 -11.927
232 1HD1 ILE 33 1HD1 ILE 33 2.640 -7.144 -10.251
233 2HD1 ILE 33 2HD1 ILE 33 2.257 -6.794 -8.565
234 3HD1 ILE 33 3HD1 ILE 33 1.083 -7.633 -9.581
235 HA PRO 34 HA PRO 34 6.921 -11.149 -12.753
236 1HB PRO 34 1HB PRO 34 9.423 -10.989 -11.656
237 2HB PRO 34 2HB PRO 34 8.475 -9.568 -12.137
238 1HG PRO 34 1HG PRO 34 8.913 -10.725 -9.438
239 2HG PRO 34 2HG PRO 34 8.784 -9.032 -9.935
240 1HD PRO 34 1HD PRO 34 6.772 -10.432 -8.735
241 2HD PRO 34 2HD PRO 34 6.504 -9.033 -9.794
242 H THR 35 H THR 35 8.450 -12.533 -9.799
243 HA THR 35 HA THR 35 8.963 -15.046 -11.243
244 HB THR 35 HB THR 35 9.435 -14.855 -8.350
245 HG1 THR 35 HG1 THR 35 11.316 -13.387 -9.198
246 1HG2 THR 35 1HG2 THR 35 10.460 -16.610 -9.664
247 2HG2 THR 35 2HG2 THR 35 11.728 -15.510 -9.123
248 3HG2 THR 35 3HG2 THR 35 11.139 -15.426 -10.783
249 H GLY 36 H GLY 36 6.913 -13.945 -8.548
250 1HA GLY 36 1HA GLY 36 4.697 -14.955 -8.224
251 2HA GLY 36 2HA GLY 36 5.343 -16.462 -8.872
252 H THR 37 H THR 37 7.674 -15.157 -6.891
253 HA THR 37 HA THR 37 7.310 -17.192 -4.855
254 HB THR 37 HB THR 37 9.060 -14.774 -4.548
255 HG1 THR 37 HG1 THR 37 10.398 -15.489 -6.132
256 1HG2 THR 37 1HG2 THR 37 9.234 -16.502 -2.869
257 2HG2 THR 37 2HG2 THR 37 10.678 -16.576 -3.878
258 3HG2 THR 37 3HG2 THR 37 9.383 -17.750 -4.106
259 H THR 38 H THR 38 6.922 -16.769 -2.575
260 HA THR 38 HA THR 38 5.384 -14.242 -2.067
261 HB THR 38 HB THR 38 4.259 -15.876 -0.335
262 HG1 THR 38 HG1 THR 38 5.075 -17.742 -2.282
263 1HG2 THR 38 1HG2 THR 38 3.629 -15.018 -2.891
264 2HG2 THR 38 2HG2 THR 38 2.534 -15.860 -1.796
265 3HG2 THR 38 3HG2 THR 38 3.443 -16.768 -3.003
266 H GLN 39 H GLN 39 5.514 -13.490 0.213
267 HA GLN 39 HA GLN 39 7.786 -14.600 1.791
268 1HB GLN 39 1HB GLN 39 7.479 -11.703 0.934
269 2HB GLN 39 2HB GLN 39 8.783 -12.354 1.929
270 1HG GLN 39 1HG GLN 39 9.079 -14.018 -0.109
271 2HG GLN 39 2HG GLN 39 8.270 -12.727 -0.999
272 1HE2 GLN 39 1HE2 GLN 39 11.317 -13.781 0.013
273 2HE2 GLN 39 2HE2 GLN 39 12.153 -12.310 -0.123
274 H TRP 40 H TRP 40 7.622 -11.972 3.346
275 HA TRP 40 HA TRP 40 4.943 -12.307 4.629
276 1HB TRP 40 1HB TRP 40 6.730 -13.721 5.702
277 2HB TRP 40 2HB TRP 40 7.616 -12.241 6.062
278 HD1 TRP 40 HD1 TRP 40 7.036 -11.065 8.239
279 HE1 TRP 40 HE1 TRP 40 5.138 -11.239 9.975
280 HE3 TRP 40 HE3 TRP 40 3.957 -14.363 5.848
281 HZ2 TRP 40 HZ2 TRP 40 2.642 -12.599 10.305
282 HZ3 TRP 40 HZ3 TRP 40 1.828 -15.081 6.894
283 HH2 TRP 40 HH2 TRP 40 1.167 -14.203 9.117
284 H GLU 41 H GLU 41 8.007 -10.495 5.022
285 HA GLU 41 HA GLU 41 6.507 -8.043 5.713
286 1HB GLU 41 1HB GLU 41 9.491 -8.431 5.380
287 2HB GLU 41 2HB GLU 41 8.660 -7.255 6.399
288 1HG GLU 41 1HG GLU 41 7.654 -9.298 7.615
289 2HG GLU 41 2HG GLU 41 8.909 -10.235 6.804
290 HA PRO 42 HA PRO 42 6.815 -6.151 1.767
291 1HB PRO 42 1HB PRO 42 7.481 -3.569 2.391
292 2HB PRO 42 2HB PRO 42 5.868 -4.249 2.682
293 1HG PRO 42 1HG PRO 42 8.116 -3.828 4.588
294 2HG PRO 42 2HG PRO 42 6.377 -3.600 4.826
295 1HD PRO 42 1HD PRO 42 7.736 -5.775 5.738
296 2HD PRO 42 2HD PRO 42 6.016 -5.815 5.292
297 HA PRO 43 HA PRO 43 11.232 -6.573 1.091
298 1HB PRO 43 1HB PRO 43 11.054 -6.865 -1.625
299 2HB PRO 43 2HB PRO 43 10.720 -8.186 -0.487
300 1HG PRO 43 1HG PRO 43 8.823 -6.432 -1.959
301 2HG PRO 43 2HG PRO 43 8.706 -8.157 -1.583
302 1HD PRO 43 1HD PRO 43 7.369 -6.209 -0.209
303 2HD PRO 43 2HD PRO 43 7.825 -7.778 0.491
304 H GLY 44 H GLY 44 12.731 -4.963 0.644
305 1HA GLY 44 1HA GLY 44 11.880 -2.690 -1.087
306 2HA GLY 44 2HA GLY 44 12.535 -2.359 0.517
307 H ARG 45 H ARG 45 14.566 -1.556 0.185
308 HA ARG 45 HA ARG 45 16.270 -2.689 -1.964
309 1HB ARG 45 1HB ARG 45 15.822 -0.171 -0.890
310 2HB ARG 45 2HB ARG 45 17.373 -0.630 -0.185
311 1HG ARG 45 1HG ARG 45 17.053 -1.228 -3.071
312 2HG ARG 45 2HG ARG 45 17.131 0.484 -2.649
313 1HD ARG 45 1HD ARG 45 19.380 0.286 -2.470
314 2HD ARG 45 2HD ARG 45 19.140 -0.839 -1.117
315 HE ARG 45 HE ARG 45 18.999 -2.675 -2.805
316 1HH1 ARG 45 1HH1 ARG 45 21.617 -0.896 -2.968
317 2HH1 ARG 45 2HH1 ARG 45 21.863 -0.932 -4.682
318 1HH2 ARG 45 1HH2 ARG 45 18.699 -2.170 -5.375
319 2HH2 ARG 45 2HH2 ARG 45 20.210 -1.653 -6.045
320 H ALA 46 H ALA 46 15.778 -3.004 1.434
321 HA ALA 46 HA ALA 46 17.857 -5.018 1.675
322 1HB ALA 46 1HB ALA 46 18.253 -2.340 3.049
323 2HB ALA 46 2HB ALA 46 19.152 -2.881 1.632
324 3HB ALA 46 3HB ALA 46 19.324 -3.736 3.164
325 H SER 47 H SER 47 16.310 -6.319 2.719
326 HA SER 47 HA SER 47 14.407 -5.504 4.654
327 1HB SER 47 1HB SER 47 14.094 -7.817 4.921
328 2HB SER 47 2HB SER 47 14.843 -7.730 3.330
329 HG SER 47 HG SER 47 15.895 -8.568 5.784
330 HA PRO 48 HA PRO 48 16.945 -4.689 8.165
331 1HB PRO 48 1HB PRO 48 15.030 -4.904 10.107
332 2HB PRO 48 2HB PRO 48 15.139 -3.513 9.010
333 1HG PRO 48 1HG PRO 48 13.307 -5.852 8.922
334 2HG PRO 48 2HG PRO 48 12.994 -4.155 8.526
335 1HD PRO 48 1HD PRO 48 13.419 -6.109 6.655
336 2HD PRO 48 2HD PRO 48 13.747 -4.384 6.383
337 H SER 49 H SER 49 17.924 -5.857 9.931
338 HA SER 49 HA SER 49 17.044 -8.699 10.269
339 1HB SER 49 1HB SER 49 19.425 -9.343 10.082
340 2HB SER 49 2HB SER 49 18.886 -8.515 8.623
341 HG SER 49 HG SER 49 20.955 -7.859 9.795
342 H GLN 50 H GLN 50 17.640 -9.601 12.344
343 HA GLN 50 HA GLN 50 19.183 -8.207 14.326
344 1HB GLN 50 1HB GLN 50 17.162 -7.480 15.698
345 2HB GLN 50 2HB GLN 50 17.428 -6.561 14.216
346 1HG GLN 50 1HG GLN 50 15.328 -7.085 13.596
347 2HG GLN 50 2HG GLN 50 15.850 -8.764 13.455
348 1HE2 GLN 50 1HE2 GLN 50 14.787 -6.437 16.008
349 2HE2 GLN 50 2HE2 GLN 50 13.946 -7.598 16.917
Start of MODEL 24
1 H ASP 1 H ASP 1 -15.402 -4.691 -4.091
2 HA ASP 1 HA ASP 1 -17.797 -5.257 -3.714
3 1HB ASP 1 1HB ASP 1 -15.486 -5.123 -1.998
4 2HB ASP 1 2HB ASP 1 -16.944 -4.952 -1.019
5 H SER 2 H SER 2 -18.855 -4.640 -1.134
6 HA SER 2 HA SER 2 -20.597 -2.484 -1.659
7 1HB SER 2 1HB SER 2 -19.805 -4.216 0.566
8 2HB SER 2 2HB SER 2 -20.352 -2.632 1.108
9 HG SER 2 HG SER 2 -22.115 -3.111 -0.562
10 H PHE 3 H PHE 3 -19.808 -0.447 -2.136
11 HA PHE 3 HA PHE 3 -17.396 0.729 -1.275
12 1HB PHE 3 1HB PHE 3 -18.665 1.671 -3.068
13 2HB PHE 3 2HB PHE 3 -20.105 1.824 -2.060
14 HD1 PHE 3 HD1 PHE 3 -16.512 2.754 -1.507
15 HD2 PHE 3 HD2 PHE 3 -20.590 4.084 -1.736
16 HE1 PHE 3 HE1 PHE 3 -15.807 5.036 -0.839
17 HE2 PHE 3 HE2 PHE 3 -19.884 6.365 -1.068
18 HZ PHE 3 HZ PHE 3 -17.493 6.841 -0.619
19 H TRP 4 H TRP 4 -20.490 0.464 0.390
20 HA TRP 4 HA TRP 4 -20.018 2.442 2.415
21 1HB TRP 4 1HB TRP 4 -21.914 0.335 1.721
22 2HB TRP 4 2HB TRP 4 -21.685 0.463 3.465
23 HD1 TRP 4 HD1 TRP 4 -23.759 1.842 0.868
24 HE1 TRP 4 HE1 TRP 4 -24.748 4.128 1.535
25 HE3 TRP 4 HE3 TRP 4 -20.780 2.959 4.862
26 HZ2 TRP 4 HZ2 TRP 4 -24.328 6.162 3.503
27 HZ3 TRP 4 HZ3 TRP 4 -21.095 5.074 6.113
28 HH2 TRP 4 HH2 TRP 4 -22.863 6.676 5.440
29 H ASN 5 H ASN 5 -17.905 2.125 3.305
30 HA ASN 5 HA ASN 5 -17.681 0.368 5.543
31 1HB ASN 5 1HB ASN 5 -17.509 -0.971 3.142
32 2HB ASN 5 2HB ASN 5 -15.811 -0.671 3.514
33 1HD2 ASN 5 1HD2 ASN 5 -16.486 -3.307 3.625
34 2HD2 ASN 5 2HD2 ASN 5 -16.654 -3.841 5.228
35 HA PRO 6 HA PRO 6 -14.555 3.665 5.404
36 1HB PRO 6 1HB PRO 6 -14.610 4.141 8.097
37 2HB PRO 6 2HB PRO 6 -15.783 4.847 6.967
38 1HG PRO 6 1HG PRO 6 -16.081 2.526 8.800
39 2HG PRO 6 2HG PRO 6 -17.256 3.772 8.354
40 1HD PRO 6 1HD PRO 6 -17.239 1.240 7.312
41 2HD PRO 6 2HD PRO 6 -17.922 2.653 6.480
42 H ASN 7 H ASN 7 -14.795 0.775 7.394
43 HA ASN 7 HA ASN 7 -11.803 0.752 7.652
44 1HB ASN 7 1HB ASN 7 -14.064 0.228 9.490
45 2HB ASN 7 2HB ASN 7 -12.739 -0.932 9.591
46 1HD2 ASN 7 1HD2 ASN 7 -11.902 -0.143 11.625
47 2HD2 ASN 7 2HD2 ASN 7 -11.187 1.390 11.774
48 H ALA 8 H ALA 8 -12.342 -0.270 5.331
49 HA ALA 8 HA ALA 8 -12.864 -3.203 5.665
50 1HB ALA 8 1HB ALA 8 -12.851 -1.751 3.038
51 2HB ALA 8 2HB ALA 8 -14.207 -1.502 4.138
52 3HB ALA 8 3HB ALA 8 -13.837 -3.121 3.546
53 H PHE 9 H PHE 9 -11.420 -4.668 4.539
54 HA PHE 9 HA PHE 9 -8.682 -4.278 4.740
55 1HB PHE 9 1HB PHE 9 -9.726 -6.426 4.275
56 2HB PHE 9 2HB PHE 9 -10.281 -5.854 2.700
57 HD1 PHE 9 HD1 PHE 9 -6.979 -5.234 4.312
58 HD2 PHE 9 HD2 PHE 9 -9.114 -7.276 1.193
59 HE1 PHE 9 HE1 PHE 9 -4.828 -5.932 3.297
60 HE2 PHE 9 HE2 PHE 9 -6.961 -7.974 0.177
61 HZ PHE 9 HZ PHE 9 -4.818 -7.302 1.230
62 H GLU 10 H GLU 10 -7.957 -2.217 4.011
63 HA GLU 10 HA GLU 10 -8.583 -1.100 1.431
64 1HB GLU 10 1HB GLU 10 -6.761 0.445 2.034
65 2HB GLU 10 2HB GLU 10 -7.794 0.144 3.429
66 1HG GLU 10 1HG GLU 10 -6.167 -1.678 4.113
67 2HG GLU 10 2HG GLU 10 -5.090 -1.084 2.848
68 H THR 11 H THR 11 -6.030 -0.428 0.436
69 HA THR 11 HA THR 11 -5.222 -3.032 -0.774
70 HB THR 11 HB THR 11 -4.214 -0.375 -1.699
71 HG1 THR 11 HG1 THR 11 -6.895 -1.198 -1.628
72 1HG2 THR 11 1HG2 THR 11 -4.074 -1.437 -3.722
73 2HG2 THR 11 2HG2 THR 11 -5.560 -2.351 -3.462
74 3HG2 THR 11 3HG2 THR 11 -4.059 -2.874 -2.700
75 H ASP 12 H ASP 12 -2.646 -2.288 -1.615
76 HA ASP 12 HA ASP 12 -1.028 -2.943 0.636
77 1HB ASP 12 1HB ASP 12 0.802 -2.449 -0.922
78 2HB ASP 12 2HB ASP 12 -0.497 -3.277 -1.780
79 H SER 13 H SER 13 1.027 -1.286 0.959
80 HA SER 13 HA SER 13 -0.181 1.346 1.737
81 1HB SER 13 1HB SER 13 1.874 1.032 3.450
82 2HB SER 13 2HB SER 13 0.273 0.373 3.773
83 HG SER 13 HG SER 13 2.215 -1.077 3.886
84 H ASP 14 H ASP 14 2.844 -0.287 0.795
85 HA ASP 14 HA ASP 14 3.621 1.829 -1.011
86 1HB ASP 14 1HB ASP 14 5.565 2.588 0.469
87 2HB ASP 14 2HB ASP 14 3.961 3.101 0.992
88 H LEU 15 H LEU 15 3.668 -0.668 -1.773
89 HA LEU 15 HA LEU 15 6.256 -1.970 -1.122
90 1HB LEU 15 1HB LEU 15 3.738 -2.677 -2.635
91 2HB LEU 15 2HB LEU 15 5.182 -3.674 -2.777
92 HG LEU 15 HG LEU 15 3.796 -4.587 -1.008
93 1HD1 LEU 15 1HD1 LEU 15 5.419 -4.693 0.709
94 2HD1 LEU 15 2HD1 LEU 15 5.972 -3.047 0.407
95 3HD1 LEU 15 3HD1 LEU 15 6.357 -4.330 -0.739
96 1HD2 LEU 15 1HD2 LEU 15 2.886 -3.320 0.746
97 2HD2 LEU 15 2HD2 LEU 15 2.738 -2.220 -0.625
98 3HD2 LEU 15 3HD2 LEU 15 4.051 -2.013 0.534
99 HA PRO 16 HA PRO 16 8.307 -0.703 -4.794
100 1HB PRO 16 1HB PRO 16 9.416 -3.030 -5.730
101 2HB PRO 16 2HB PRO 16 10.029 -2.172 -4.301
102 1HG PRO 16 1HG PRO 16 8.235 -4.549 -4.454
103 2HG PRO 16 2HG PRO 16 9.586 -4.228 -3.356
104 1HD PRO 16 1HD PRO 16 7.007 -3.919 -2.611
105 2HD PRO 16 2HD PRO 16 8.315 -2.901 -1.966
106 H ALA 17 H ALA 17 8.657 -2.087 -7.230
107 HA ALA 17 HA ALA 17 5.851 -2.096 -8.226
108 1HB ALA 17 1HB ALA 17 8.034 -2.296 -10.169
109 2HB ALA 17 2HB ALA 17 8.239 -0.938 -9.063
110 3HB ALA 17 3HB ALA 17 6.771 -1.072 -10.031
111 H GLY 18 H GLY 18 4.915 -4.067 -8.442
112 1HA GLY 18 1HA GLY 18 4.901 -6.170 -9.744
113 2HA GLY 18 2HA GLY 18 6.619 -6.335 -9.383
114 H TRP 19 H TRP 19 5.651 -5.237 -6.545
115 HA TRP 19 HA TRP 19 5.197 -7.996 -5.491
116 1HB TRP 19 1HB TRP 19 6.314 -5.401 -4.503
117 2HB TRP 19 2HB TRP 19 5.623 -6.503 -3.311
118 HD1 TRP 19 HD1 TRP 19 8.608 -6.005 -5.531
119 HE1 TRP 19 HE1 TRP 19 10.280 -7.935 -5.194
120 HE3 TRP 19 HE3 TRP 19 5.738 -9.188 -2.746
121 HZ2 TRP 19 HZ2 TRP 19 10.389 -10.491 -3.919
122 HZ3 TRP 19 HZ3 TRP 19 6.654 -11.365 -1.989
123 HH2 TRP 19 HH2 TRP 19 8.972 -12.017 -2.570
124 H MET 20 H MET 20 3.302 -8.523 -4.389
125 HA MET 20 HA MET 20 1.192 -6.392 -4.283
126 1HB MET 20 1HB MET 20 0.878 -9.398 -4.486
127 2HB MET 20 2HB MET 20 -0.372 -8.185 -4.738
128 1HG MET 20 1HG MET 20 2.132 -8.200 -6.417
129 2HG MET 20 2HG MET 20 0.750 -9.212 -6.834
130 1HE MET 20 1HE MET 20 -1.639 -7.430 -8.457
131 2HE MET 20 2HE MET 20 -2.081 -7.379 -6.752
132 3HE MET 20 3HE MET 20 -1.204 -8.769 -7.387
133 H ARG 21 H ARG 21 -0.445 -6.761 -2.542
134 HA ARG 21 HA ARG 21 0.780 -7.979 -0.088
135 1HB ARG 21 1HB ARG 21 0.618 -5.441 -0.265
136 2HB ARG 21 2HB ARG 21 -1.136 -5.633 -0.261
137 1HG ARG 21 1HG ARG 21 -1.099 -6.644 1.922
138 2HG ARG 21 2HG ARG 21 0.661 -6.761 1.900
139 1HD ARG 21 1HD ARG 21 0.473 -4.116 1.540
140 2HD ARG 21 2HD ARG 21 -1.067 -4.369 2.387
141 HE ARG 21 HE ARG 21 1.138 -5.797 3.642
142 1HH1 ARG 21 1HH1 ARG 21 0.207 -2.566 3.091
143 2HH1 ARG 21 2HH1 ARG 21 0.370 -2.078 4.744
144 1HH2 ARG 21 1HH2 ARG 21 1.047 -5.277 5.898
145 2HH2 ARG 21 2HH2 ARG 21 0.844 -3.614 6.334
146 H VAL 22 H VAL 22 -0.370 -9.864 0.281
147 HA VAL 22 HA VAL 22 -3.320 -9.829 -0.253
148 HB VAL 22 HB VAL 22 -1.483 -12.207 0.070
149 1HG1 VAL 22 1HG1 VAL 22 -3.308 -13.138 -1.523
150 2HG1 VAL 22 2HG1 VAL 22 -4.249 -11.731 -1.026
151 3HG1 VAL 22 3HG1 VAL 22 -3.729 -12.912 0.175
152 1HG2 VAL 22 1HG2 VAL 22 -2.188 -10.675 -2.455
153 2HG2 VAL 22 2HG2 VAL 22 -1.344 -12.223 -2.415
154 3HG2 VAL 22 3HG2 VAL 22 -0.588 -10.788 -1.722
155 H GLN 23 H GLN 23 -4.628 -11.153 1.271
156 HA GLN 23 HA GLN 23 -3.502 -11.125 4.053
157 1HB GLN 23 1HB GLN 23 -5.213 -9.385 3.545
158 2HB GLN 23 2HB GLN 23 -6.343 -10.659 3.087
159 1HG GLN 23 1HG GLN 23 -6.258 -11.598 5.342
160 2HG GLN 23 2HG GLN 23 -5.047 -10.406 5.817
161 1HE2 GLN 23 1HE2 GLN 23 -5.755 -8.178 6.125
162 2HE2 GLN 23 2HE2 GLN 23 -7.400 -7.778 6.233
163 H ASP 24 H ASP 24 -2.890 -13.391 3.880
164 HA ASP 24 HA ASP 24 -4.977 -15.372 3.225
165 1HB ASP 24 1HB ASP 24 -2.142 -15.163 3.211
166 2HB ASP 24 2HB ASP 24 -2.572 -16.490 4.286
167 H THR 25 H THR 25 -4.909 -17.365 4.861
168 HA THR 25 HA THR 25 -6.115 -16.530 7.315
169 HB THR 25 HB THR 25 -5.755 -19.009 7.844
170 HG1 THR 25 HG1 THR 25 -4.614 -20.176 6.479
171 1HG2 THR 25 1HG2 THR 25 -7.720 -18.028 6.580
172 2HG2 THR 25 2HG2 THR 25 -7.370 -19.717 6.214
173 3HG2 THR 25 3HG2 THR 25 -6.876 -18.451 5.090
174 H SER 26 H SER 26 -2.781 -17.412 6.494
175 HA SER 26 HA SER 26 -1.833 -17.549 9.233
176 1HB SER 26 1HB SER 26 -0.850 -17.778 6.496
177 2HB SER 26 2HB SER 26 0.305 -16.944 7.533
178 HG SER 26 HG SER 26 0.402 -19.321 7.483
179 H GLY 27 H GLY 27 -2.435 -14.959 6.982
180 1HA GLY 27 1HA GLY 27 -2.540 -12.781 8.503
181 2HA GLY 27 2HA GLY 27 -0.799 -13.059 8.568
182 H THR 28 H THR 28 -1.167 -10.749 7.501
183 HA THR 28 HA THR 28 -1.761 -10.855 4.617
184 HB THR 28 HB THR 28 -0.605 -8.592 6.264
185 HG1 THR 28 HG1 THR 28 -3.307 -9.387 5.937
186 1HG2 THR 28 1HG2 THR 28 -0.675 -8.257 3.830
187 2HG2 THR 28 2HG2 THR 28 -1.850 -7.213 4.631
188 3HG2 THR 28 3HG2 THR 28 -2.387 -8.682 3.813
189 H TYR 29 H TYR 29 -0.178 -11.667 3.286
190 HA TYR 29 HA TYR 29 2.675 -11.042 3.968
191 1HB TYR 29 1HB TYR 29 3.197 -13.122 2.833
192 2HB TYR 29 2HB TYR 29 1.889 -13.437 3.969
193 HD1 TYR 29 HD1 TYR 29 -0.469 -13.616 3.149
194 HD2 TYR 29 HD2 TYR 29 2.873 -13.323 0.467
195 HE1 TYR 29 HE1 TYR 29 -1.890 -14.434 1.289
196 HE2 TYR 29 HE2 TYR 29 1.452 -14.138 -1.394
197 HH TYR 29 HH TYR 29 -1.124 -15.752 -1.164
198 H TYR 30 H TYR 30 3.604 -11.843 1.340
199 HA TYR 30 HA TYR 30 2.397 -9.722 -0.403
200 1HB TYR 30 1HB TYR 30 5.332 -10.273 0.145
201 2HB TYR 30 2HB TYR 30 4.710 -9.041 -0.953
202 HD1 TYR 30 HD1 TYR 30 4.644 -10.153 2.613
203 HD2 TYR 30 HD2 TYR 30 4.065 -6.915 -0.149
204 HE1 TYR 30 HE1 TYR 30 4.407 -8.576 4.513
205 HE2 TYR 30 HE2 TYR 30 3.829 -5.338 1.751
206 HH TYR 30 HH TYR 30 3.033 -5.810 4.442
207 H TRP 31 H TRP 31 2.423 -10.216 -2.627
208 HA TRP 31 HA TRP 31 3.341 -12.984 -3.333
209 1HB TRP 31 1HB TRP 31 0.980 -12.859 -3.485
210 2HB TRP 31 2HB TRP 31 1.026 -11.232 -4.156
211 HD1 TRP 31 HD1 TRP 31 3.370 -13.873 -5.536
212 HE1 TRP 31 HE1 TRP 31 2.666 -14.451 -7.948
213 HE3 TRP 31 HE3 TRP 31 -1.059 -11.347 -5.789
214 HZ2 TRP 31 HZ2 TRP 31 0.507 -13.911 -9.747
215 HZ3 TRP 31 HZ3 TRP 31 -2.418 -11.395 -7.860
216 HH2 TRP 31 HH2 TRP 31 -1.642 -12.673 -9.838
217 H HIS 32 H HIS 32 5.137 -12.928 -4.621
218 HA HIS 32 HA HIS 32 5.946 -10.500 -6.035
219 1HB HIS 32 1HB HIS 32 7.229 -12.565 -4.870
220 2HB HIS 32 2HB HIS 32 7.232 -13.139 -6.538
221 HD1 HIS 32 HD1 HIS 32 9.950 -12.509 -5.667
222 HD2 HIS 32 HD2 HIS 32 7.422 -9.475 -7.001
223 HE1 HIS 32 HE1 HIS 32 11.443 -10.582 -6.354
224 H ILE 33 H ILE 33 4.844 -10.003 -7.863
225 HA ILE 33 HA ILE 33 3.462 -11.865 -9.556
226 HB ILE 33 HB ILE 33 4.422 -9.028 -10.045
227 1HG1 ILE 33 1HG1 ILE 33 1.888 -10.115 -8.767
228 2HG1 ILE 33 2HG1 ILE 33 3.155 -9.195 -7.956
229 1HG2 ILE 33 1HG2 ILE 33 2.103 -9.170 -11.350
230 2HG2 ILE 33 2HG2 ILE 33 2.519 -10.883 -11.426
231 3HG2 ILE 33 3HG2 ILE 33 3.609 -9.679 -12.114
232 1HD1 ILE 33 1HD1 ILE 33 0.886 -8.162 -9.275
233 2HD1 ILE 33 2HD1 ILE 33 2.262 -7.776 -10.308
234 3HD1 ILE 33 3HD1 ILE 33 2.247 -7.249 -8.624
235 HA PRO 34 HA PRO 34 7.169 -11.168 -12.527
236 1HB PRO 34 1HB PRO 34 9.570 -10.483 -11.414
237 2HB PRO 34 2HB PRO 34 8.386 -9.293 -11.987
238 1HG PRO 34 1HG PRO 34 8.992 -10.182 -9.223
239 2HG PRO 34 2HG PRO 34 8.530 -8.583 -9.821
240 1HD PRO 34 1HD PRO 34 6.833 -10.324 -8.551
241 2HD PRO 34 2HD PRO 34 6.304 -9.027 -9.644
242 H THR 35 H THR 35 8.568 -12.185 -9.365
243 HA THR 35 HA THR 35 9.831 -14.515 -10.656
244 HB THR 35 HB THR 35 10.786 -14.823 -8.424
245 HG1 THR 35 HG1 THR 35 8.652 -13.153 -7.769
246 1HG2 THR 35 1HG2 THR 35 10.808 -12.267 -9.846
247 2HG2 THR 35 2HG2 THR 35 12.153 -13.191 -9.177
248 3HG2 THR 35 3HG2 THR 35 11.231 -12.101 -8.142
249 H GLY 36 H GLY 36 6.919 -13.798 -8.904
250 1HA GLY 36 1HA GLY 36 5.032 -15.207 -8.628
251 2HA GLY 36 2HA GLY 36 5.976 -16.543 -9.288
252 H THR 37 H THR 37 8.042 -15.412 -7.106
253 HA THR 37 HA THR 37 7.524 -17.501 -5.176
254 HB THR 37 HB THR 37 9.273 -15.044 -4.926
255 HG1 THR 37 HG1 THR 37 9.989 -17.537 -6.046
256 1HG2 THR 37 1HG2 THR 37 9.343 -17.817 -3.733
257 2HG2 THR 37 2HG2 THR 37 9.187 -16.280 -2.881
258 3HG2 THR 37 3HG2 THR 37 10.710 -16.705 -3.665
259 H THR 38 H THR 38 7.178 -17.055 -2.833
260 HA THR 38 HA THR 38 5.455 -14.638 -2.394
261 HB THR 38 HB THR 38 4.664 -16.549 -0.559
262 HG1 THR 38 HG1 THR 38 4.688 -18.023 -2.883
263 1HG2 THR 38 1HG2 THR 38 3.435 -16.537 -3.289
264 2HG2 THR 38 2HG2 THR 38 3.446 -15.038 -2.360
265 3HG2 THR 38 3HG2 THR 38 2.653 -16.473 -1.710
266 H GLN 39 H GLN 39 5.706 -13.583 -0.370
267 HA GLN 39 HA GLN 39 7.797 -14.632 1.482
268 1HB GLN 39 1HB GLN 39 7.710 -11.905 0.149
269 2HB GLN 39 2HB GLN 39 8.826 -12.343 1.444
270 1HG GLN 39 1HG GLN 39 9.496 -14.330 -0.070
271 2HG GLN 39 2HG GLN 39 8.691 -13.440 -1.363
272 1HE2 GLN 39 1HE2 GLN 39 11.671 -14.005 -0.825
273 2HE2 GLN 39 2HE2 GLN 39 12.398 -12.472 -0.892
274 H TRP 40 H TRP 40 7.882 -12.630 3.312
275 HA TRP 40 HA TRP 40 5.035 -11.977 3.979
276 1HB TRP 40 1HB TRP 40 7.145 -13.400 5.613
277 2HB TRP 40 2HB TRP 40 5.728 -12.660 6.359
278 HD1 TRP 40 HD1 TRP 40 6.763 -15.503 4.037
279 HE1 TRP 40 HE1 TRP 40 4.795 -17.155 3.813
280 HE3 TRP 40 HE3 TRP 40 3.133 -12.886 6.497
281 HZ2 TRP 40 HZ2 TRP 40 2.045 -17.339 4.578
282 HZ3 TRP 40 HZ3 TRP 40 0.851 -13.822 6.735
283 HH2 TRP 40 HH2 TRP 40 0.303 -16.043 5.779
284 H GLU 41 H GLU 41 8.083 -10.792 3.452
285 HA GLU 41 HA GLU 41 7.709 -8.558 5.422
286 1HB GLU 41 1HB GLU 41 10.274 -9.522 4.126
287 2HB GLU 41 2HB GLU 41 10.117 -8.428 5.501
288 1HG GLU 41 1HG GLU 41 8.803 -10.452 6.573
289 2HG GLU 41 2HG GLU 41 9.707 -11.397 5.389
290 HA PRO 42 HA PRO 42 7.515 -5.787 2.026
291 1HB PRO 42 1HB PRO 42 8.757 -3.581 3.066
292 2HB PRO 42 2HB PRO 42 7.138 -4.105 3.570
293 1HG PRO 42 1HG PRO 42 9.758 -4.492 4.924
294 2HG PRO 42 2HG PRO 42 8.168 -4.141 5.619
295 1HD PRO 42 1HD PRO 42 9.301 -6.626 5.611
296 2HD PRO 42 2HD PRO 42 7.548 -6.341 5.640
297 HA PRO 43 HA PRO 43 11.601 -6.621 0.311
298 1HB PRO 43 1HB PRO 43 10.816 -6.365 -2.300
299 2HB PRO 43 2HB PRO 43 10.550 -7.842 -1.350
300 1HG PRO 43 1HG PRO 43 8.647 -5.651 -2.016
301 2HG PRO 43 2HG PRO 43 8.374 -7.398 -1.936
302 1HD PRO 43 1HD PRO 43 7.628 -5.670 0.034
303 2HD PRO 43 2HD PRO 43 8.037 -7.375 0.328
304 H GLY 44 H GLY 44 13.081 -4.970 0.270
305 1HA GLY 44 1HA GLY 44 12.723 -2.662 -1.468
306 2HA GLY 44 2HA GLY 44 12.596 -2.245 0.242
307 H ARG 45 H ARG 45 14.688 -4.760 -1.113
308 HA ARG 45 HA ARG 45 17.068 -3.059 -0.466
309 1HB ARG 45 1HB ARG 45 16.077 -5.077 1.120
310 2HB ARG 45 2HB ARG 45 17.267 -5.939 0.144
311 1HG ARG 45 1HG ARG 45 17.818 -3.385 1.686
312 2HG ARG 45 2HG ARG 45 18.263 -5.005 2.226
313 1HD ARG 45 1HD ARG 45 19.285 -4.925 -0.353
314 2HD ARG 45 2HD ARG 45 19.590 -3.286 0.253
315 HE ARG 45 HE ARG 45 20.384 -4.693 2.392
316 1HH1 ARG 45 1HH1 ARG 45 21.128 -4.833 -0.952
317 2HH1 ARG 45 2HH1 ARG 45 22.500 -5.871 -0.749
318 1HH2 ARG 45 1HH2 ARG 45 22.042 -6.249 2.668
319 2HH2 ARG 45 2HH2 ARG 45 23.017 -6.672 1.301
320 H ALA 46 H ALA 46 17.262 -2.827 -2.831
321 HA ALA 46 HA ALA 46 18.068 -3.480 -4.958
322 1HB ALA 46 1HB ALA 46 20.182 -4.021 -4.373
323 2HB ALA 46 2HB ALA 46 19.658 -5.697 -4.211
324 3HB ALA 46 3HB ALA 46 19.632 -4.627 -2.811
325 H SER 47 H SER 47 18.422 -5.658 -6.335
326 HA SER 47 HA SER 47 15.845 -7.010 -6.379
327 1HB SER 47 1HB SER 47 18.044 -6.499 -8.088
328 2HB SER 47 2HB SER 47 17.884 -8.250 -7.997
329 HG SER 47 HG SER 47 16.562 -7.221 -9.626
330 HA PRO 48 HA PRO 48 18.438 -10.815 -5.117
331 1HB PRO 48 1HB PRO 48 21.065 -10.438 -4.452
332 2HB PRO 48 2HB PRO 48 20.527 -10.760 -6.113
333 1HG PRO 48 1HG PRO 48 21.306 -8.190 -4.841
334 2HG PRO 48 2HG PRO 48 21.592 -8.767 -6.489
335 1HD PRO 48 1HD PRO 48 19.640 -6.966 -5.806
336 2HD PRO 48 2HD PRO 48 19.571 -8.019 -7.236
337 H SER 49 H SER 49 17.741 -11.290 -3.064
338 HA SER 49 HA SER 49 18.922 -9.820 -0.760
339 1HB SER 49 1HB SER 49 16.373 -9.786 0.019
340 2HB SER 49 2HB SER 49 17.023 -8.507 -1.003
341 HG SER 49 HG SER 49 14.978 -9.735 -1.620
342 H GLN 50 H GLN 50 19.755 -11.532 0.388
343 HA GLN 50 HA GLN 50 17.940 -13.860 0.916
344 1HB GLN 50 1HB GLN 50 20.720 -13.686 -0.166
345 2HB GLN 50 2HB GLN 50 20.357 -15.028 0.921
346 1HG GLN 50 1HG GLN 50 19.176 -16.096 -0.673
347 2HG GLN 50 2HG GLN 50 18.224 -14.650 -1.015
348 1HE2 GLN 50 1HE2 GLN 50 21.720 -15.474 -1.447
349 2HE2 GLN 50 2HE2 GLN 50 21.776 -14.996 -3.074
Start of MODEL 25
1 H ASP 1 H ASP 1 -11.443 7.934 15.846
2 HA ASP 1 HA ASP 1 -9.977 5.846 17.255
3 1HB ASP 1 1HB ASP 1 -11.502 4.517 15.917
4 2HB ASP 1 2HB ASP 1 -12.405 5.896 16.547
5 H SER 2 H SER 2 -9.557 4.098 15.160
6 HA SER 2 HA SER 2 -7.405 5.473 13.586
7 1HB SER 2 1HB SER 2 -7.717 2.678 14.710
8 2HB SER 2 2HB SER 2 -6.436 3.114 13.583
9 HG SER 2 HG SER 2 -6.159 3.302 16.042
10 H PHE 3 H PHE 3 -7.018 4.496 11.402
11 HA PHE 3 HA PHE 3 -7.832 3.876 9.270
12 1HB PHE 3 1HB PHE 3 -9.194 2.029 11.233
13 2HB PHE 3 2HB PHE 3 -9.462 1.868 9.498
14 HD1 PHE 3 HD1 PHE 3 -7.620 1.256 7.984
15 HD2 PHE 3 HD2 PHE 3 -7.037 1.518 12.232
16 HE1 PHE 3 HE1 PHE 3 -5.474 0.032 7.765
17 HE2 PHE 3 HE2 PHE 3 -4.891 0.294 12.012
18 HZ PHE 3 HZ PHE 3 -4.109 -0.449 9.779
19 H TRP 4 H TRP 4 -9.371 5.908 11.068
20 HA TRP 4 HA TRP 4 -12.149 5.793 10.657
21 1HB TRP 4 1HB TRP 4 -12.001 8.251 10.888
22 2HB TRP 4 2HB TRP 4 -10.908 7.450 12.016
23 HD1 TRP 4 HD1 TRP 4 -8.302 7.566 11.516
24 HE1 TRP 4 HE1 TRP 4 -6.900 9.151 10.043
25 HE3 TRP 4 HE3 TRP 4 -12.008 9.646 8.684
26 HZ2 TRP 4 HZ2 TRP 4 -7.298 11.051 7.941
27 HZ3 TRP 4 HZ3 TRP 4 -11.469 11.339 6.956
28 HH2 TRP 4 HH2 TRP 4 -9.122 12.043 6.581
29 H ASN 5 H ASN 5 -9.586 6.642 8.378
30 HA ASN 5 HA ASN 5 -10.886 7.985 6.339
31 1HB ASN 5 1HB ASN 5 -8.696 6.044 6.620
32 2HB ASN 5 2HB ASN 5 -9.401 6.073 5.003
33 1HD2 ASN 5 1HD2 ASN 5 -6.750 7.203 6.117
34 2HD2 ASN 5 2HD2 ASN 5 -6.750 8.820 5.601
35 HA PRO 6 HA PRO 6 -14.180 5.138 5.375
36 1HB PRO 6 1HB PRO 6 -15.321 6.660 3.411
37 2HB PRO 6 2HB PRO 6 -15.537 6.997 5.139
38 1HG PRO 6 1HG PRO 6 -13.761 8.321 3.161
39 2HG PRO 6 2HG PRO 6 -14.654 9.016 4.522
40 1HD PRO 6 1HD PRO 6 -11.962 8.469 4.551
41 2HD PRO 6 2HD PRO 6 -12.980 8.576 6.003
42 H ASN 7 H ASN 7 -11.851 6.481 3.122
43 HA ASN 7 HA ASN 7 -12.493 4.373 1.105
44 1HB ASN 7 1HB ASN 7 -12.315 6.860 0.567
45 2HB ASN 7 2HB ASN 7 -10.591 6.724 0.916
46 1HD2 ASN 7 1HD2 ASN 7 -12.672 6.728 -1.650
47 2HD2 ASN 7 2HD2 ASN 7 -11.816 5.729 -2.722
48 H ALA 8 H ALA 8 -11.231 3.472 3.490
49 HA ALA 8 HA ALA 8 -8.371 3.402 3.365
50 1HB ALA 8 1HB ALA 8 -10.377 1.413 4.478
51 2HB ALA 8 2HB ALA 8 -9.775 2.837 5.327
52 3HB ALA 8 3HB ALA 8 -8.676 1.515 4.933
53 H PHE 9 H PHE 9 -10.853 1.585 1.676
54 HA PHE 9 HA PHE 9 -9.266 -0.664 0.855
55 1HB PHE 9 1HB PHE 9 -11.852 -0.028 0.758
56 2HB PHE 9 2HB PHE 9 -11.420 0.507 -0.865
57 HD1 PHE 9 HD1 PHE 9 -10.190 -2.346 1.232
58 HD2 PHE 9 HD2 PHE 9 -12.141 -1.114 -2.391
59 HE1 PHE 9 HE1 PHE 9 -10.218 -4.699 0.446
60 HE2 PHE 9 HE2 PHE 9 -12.170 -3.467 -3.176
61 HZ PHE 9 HZ PHE 9 -11.209 -5.259 -1.757
62 H GLU 10 H GLU 10 -7.511 -0.612 -0.489
63 HA GLU 10 HA GLU 10 -7.527 0.968 -2.950
64 1HB GLU 10 1HB GLU 10 -6.872 2.374 -0.762
65 2HB GLU 10 2HB GLU 10 -5.294 1.656 -1.087
66 1HG GLU 10 1HG GLU 10 -4.942 3.084 -2.787
67 2HG GLU 10 2HG GLU 10 -6.454 2.597 -3.554
68 H THR 11 H THR 11 -4.789 0.981 -3.466
69 HA THR 11 HA THR 11 -4.258 -1.906 -3.797
70 HB THR 11 HB THR 11 -2.445 0.309 -4.697
71 HG1 THR 11 HG1 THR 11 -5.102 -0.145 -5.468
72 1HG2 THR 11 1HG2 THR 11 -2.959 -1.333 -6.819
73 2HG2 THR 11 2HG2 THR 11 -3.163 -2.448 -5.469
74 3HG2 THR 11 3HG2 THR 11 -1.641 -1.580 -5.673
75 H ASP 12 H ASP 12 -1.529 -2.060 -3.751
76 HA ASP 12 HA ASP 12 -0.761 -2.559 -1.142
77 1HB ASP 12 1HB ASP 12 0.413 -2.378 -3.692
78 2HB ASP 12 2HB ASP 12 1.416 -1.365 -2.652
79 H SER 13 H SER 13 0.570 -1.324 0.397
80 HA SER 13 HA SER 13 -0.351 1.423 0.726
81 1HB SER 13 1HB SER 13 0.605 1.183 2.858
82 2HB SER 13 2HB SER 13 0.211 -0.481 2.439
83 HG SER 13 HG SER 13 2.309 -0.515 3.077
84 H ASP 14 H ASP 14 2.728 -0.142 -0.107
85 HA ASP 14 HA ASP 14 3.666 2.072 -1.676
86 1HB ASP 14 1HB ASP 14 5.390 2.879 -0.040
87 2HB ASP 14 2HB ASP 14 3.738 3.178 0.500
88 H LEU 15 H LEU 15 3.696 -0.586 -2.274
89 HA LEU 15 HA LEU 15 6.350 -1.719 -1.591
90 1HB LEU 15 1HB LEU 15 3.818 -2.629 -2.943
91 2HB LEU 15 2HB LEU 15 5.297 -3.570 -3.131
92 HG LEU 15 HG LEU 15 4.032 -4.434 -1.232
93 1HD1 LEU 15 1HD1 LEU 15 5.987 -4.779 -0.170
94 2HD1 LEU 15 2HD1 LEU 15 5.985 -3.123 0.435
95 3HD1 LEU 15 3HD1 LEU 15 6.700 -3.488 -1.135
96 1HD2 LEU 15 1HD2 LEU 15 3.204 -3.108 0.505
97 2HD2 LEU 15 2HD2 LEU 15 2.995 -2.036 -0.880
98 3HD2 LEU 15 3HD2 LEU 15 4.367 -1.816 0.206
99 HA PRO 16 HA PRO 16 8.305 -0.660 -5.373
100 1HB PRO 16 1HB PRO 16 9.510 -2.997 -6.143
101 2HB PRO 16 2HB PRO 16 10.088 -2.011 -4.784
102 1HG PRO 16 1HG PRO 16 8.411 -4.477 -4.755
103 2HG PRO 16 2HG PRO 16 9.740 -4.004 -3.683
104 1HD PRO 16 1HD PRO 16 7.136 -3.773 -2.975
105 2HD PRO 16 2HD PRO 16 8.396 -2.665 -2.386
106 H ALA 17 H ALA 17 8.730 -2.208 -7.690
107 HA ALA 17 HA ALA 17 5.949 -2.382 -8.733
108 1HB ALA 17 1HB ALA 17 8.712 -1.955 -9.816
109 2HB ALA 17 2HB ALA 17 7.245 -1.020 -10.104
110 3HB ALA 17 3HB ALA 17 7.471 -2.574 -10.906
111 H GLY 18 H GLY 18 5.041 -4.387 -8.854
112 1HA GLY 18 1HA GLY 18 5.034 -6.624 -9.823
113 2HA GLY 18 2HA GLY 18 6.780 -6.690 -9.596
114 H TRP 19 H TRP 19 5.334 -5.305 -6.890
115 HA TRP 19 HA TRP 19 5.316 -7.959 -5.491
116 1HB TRP 19 1HB TRP 19 6.452 -5.257 -4.871
117 2HB TRP 19 2HB TRP 19 5.926 -6.271 -3.529
118 HD1 TRP 19 HD1 TRP 19 8.685 -5.838 -6.007
119 HE1 TRP 19 HE1 TRP 19 10.438 -7.706 -5.713
120 HE3 TRP 19 HE3 TRP 19 6.143 -8.946 -2.848
121 HZ2 TRP 19 HZ2 TRP 19 10.722 -10.191 -4.324
122 HZ3 TRP 19 HZ3 TRP 19 7.178 -11.056 -2.059
123 HH2 TRP 19 HH2 TRP 19 9.463 -11.681 -2.791
124 H MET 20 H MET 20 3.444 -8.424 -4.379
125 HA MET 20 HA MET 20 1.421 -6.226 -4.090
126 1HB MET 20 1HB MET 20 0.976 -9.200 -4.463
127 2HB MET 20 2HB MET 20 -0.237 -7.926 -4.573
128 1HG MET 20 1HG MET 20 2.103 -8.386 -6.441
129 2HG MET 20 2HG MET 20 0.387 -8.531 -6.826
130 1HE MET 20 1HE MET 20 -0.967 -5.140 -7.307
131 2HE MET 20 2HE MET 20 -1.244 -6.292 -6.004
132 3HE MET 20 3HE MET 20 -1.023 -6.874 -7.652
133 H ARG 21 H ARG 21 -0.159 -6.655 -2.297
134 HA ARG 21 HA ARG 21 1.134 -8.060 0.020
135 1HB ARG 21 1HB ARG 21 1.150 -5.576 0.132
136 2HB ARG 21 2HB ARG 21 -0.604 -5.567 -0.053
137 1HG ARG 21 1HG ARG 21 -0.736 -7.011 2.021
138 2HG ARG 21 2HG ARG 21 0.992 -6.728 2.245
139 1HD ARG 21 1HD ARG 21 0.638 -4.630 3.048
140 2HD ARG 21 2HD ARG 21 -0.521 -4.253 1.758
141 HE ARG 21 HE ARG 21 -1.598 -6.179 3.645
142 1HH1 ARG 21 1HH1 ARG 21 -3.125 -3.944 2.299
143 2HH1 ARG 21 2HH1 ARG 21 -3.458 -2.896 3.638
144 1HH2 ARG 21 1HH2 ARG 21 -1.092 -4.354 5.711
145 2HH2 ARG 21 2HH2 ARG 21 -2.306 -3.127 5.568
146 H VAL 22 H VAL 22 -0.078 -9.930 0.317
147 HA VAL 22 HA VAL 22 -3.041 -9.742 -0.084
148 HB VAL 22 HB VAL 22 -1.327 -12.222 0.092
149 1HG1 VAL 22 1HG1 VAL 22 -3.377 -12.636 -1.698
150 2HG1 VAL 22 2HG1 VAL 22 -4.129 -11.571 -0.510
151 3HG1 VAL 22 3HG1 VAL 22 -3.414 -13.100 0.004
152 1HG2 VAL 22 1HG2 VAL 22 -1.470 -10.181 -2.018
153 2HG2 VAL 22 2HG2 VAL 22 -1.847 -11.804 -2.594
154 3HG2 VAL 22 3HG2 VAL 22 -0.305 -11.487 -1.800
155 H GLN 23 H GLN 23 -4.371 -10.993 1.442
156 HA GLN 23 HA GLN 23 -3.142 -11.181 4.173
157 1HB GLN 23 1HB GLN 23 -5.227 -9.570 3.149
158 2HB GLN 23 2HB GLN 23 -6.010 -10.799 4.143
159 1HG GLN 23 1HG GLN 23 -4.714 -10.209 6.063
160 2HG GLN 23 2HG GLN 23 -3.617 -9.216 5.101
161 1HE2 GLN 23 1HE2 GLN 23 -4.021 -7.070 5.679
162 2HE2 GLN 23 2HE2 GLN 23 -5.565 -6.376 5.802
163 H ASP 24 H ASP 24 -2.733 -13.504 3.692
164 HA ASP 24 HA ASP 24 -5.008 -15.262 3.122
165 1HB ASP 24 1HB ASP 24 -2.190 -15.310 2.986
166 2HB ASP 24 2HB ASP 24 -2.648 -16.564 4.136
167 H THR 25 H THR 25 -5.430 -17.147 4.655
168 HA THR 25 HA THR 25 -6.354 -16.305 7.179
169 HB THR 25 HB THR 25 -6.579 -18.707 7.595
170 HG1 THR 25 HG1 THR 25 -5.552 -20.057 5.877
171 1HG2 THR 25 1HG2 THR 25 -8.082 -19.033 5.915
172 2HG2 THR 25 2HG2 THR 25 -6.886 -18.727 4.655
173 3HG2 THR 25 3HG2 THR 25 -7.662 -17.376 5.479
174 H SER 26 H SER 26 -3.193 -17.631 6.256
175 HA SER 26 HA SER 26 -2.172 -17.996 8.923
176 1HB SER 26 1HB SER 26 -1.239 -17.985 6.128
177 2HB SER 26 2HB SER 26 -0.002 -17.523 7.295
178 HG SER 26 HG SER 26 -0.842 -19.466 8.486
179 H GLY 27 H GLY 27 -2.271 -15.237 6.717
180 1HA GLY 27 1HA GLY 27 -2.216 -13.181 8.526
181 2HA GLY 27 2HA GLY 27 -0.508 -13.610 8.395
182 H THR 28 H THR 28 -0.422 -11.323 7.508
183 HA THR 28 HA THR 28 -1.354 -11.123 4.680
184 HB THR 28 HB THR 28 -0.124 -9.041 6.511
185 HG1 THR 28 HG1 THR 28 -1.966 -9.014 7.480
186 1HG2 THR 28 1HG2 THR 28 -0.404 -7.610 4.797
187 2HG2 THR 28 2HG2 THR 28 -2.061 -8.155 4.539
188 3HG2 THR 28 3HG2 THR 28 -0.723 -9.013 3.776
189 H TYR 29 H TYR 29 0.165 -11.869 3.232
190 HA TYR 29 HA TYR 29 3.054 -11.351 3.852
191 1HB TYR 29 1HB TYR 29 3.488 -13.352 2.558
192 2HB TYR 29 2HB TYR 29 2.206 -13.720 3.708
193 HD1 TYR 29 HD1 TYR 29 3.046 -13.197 0.174
194 HD2 TYR 29 HD2 TYR 29 -0.129 -13.955 2.967
195 HE1 TYR 29 HE1 TYR 29 1.555 -13.840 -1.698
196 HE2 TYR 29 HE2 TYR 29 -1.621 -14.598 1.093
197 HH TYR 29 HH TYR 29 -0.603 -14.242 -2.273
198 H TYR 30 H TYR 30 3.956 -11.939 1.218
199 HA TYR 30 HA TYR 30 2.758 -9.706 -0.387
200 1HB TYR 30 1HB TYR 30 5.637 -10.383 0.265
201 2HB TYR 30 2HB TYR 30 5.198 -9.281 -1.039
202 HD1 TYR 30 HD1 TYR 30 4.501 -9.886 2.601
203 HD2 TYR 30 HD2 TYR 30 4.922 -7.013 -0.565
204 HE1 TYR 30 HE1 TYR 30 4.231 -8.040 4.237
205 HE2 TYR 30 HE2 TYR 30 4.651 -5.169 1.072
206 HH TYR 30 HH TYR 30 3.344 -5.397 3.895
207 H TRP 31 H TRP 31 2.394 -10.249 -2.528
208 HA TRP 31 HA TRP 31 3.307 -12.950 -3.424
209 1HB TRP 31 1HB TRP 31 0.937 -12.691 -3.444
210 2HB TRP 31 2HB TRP 31 1.044 -11.086 -4.162
211 HD1 TRP 31 HD1 TRP 31 3.295 -13.749 -5.579
212 HE1 TRP 31 HE1 TRP 31 2.481 -14.403 -7.936
213 HE3 TRP 31 HE3 TRP 31 -1.195 -11.317 -5.667
214 HZ2 TRP 31 HZ2 TRP 31 0.226 -13.953 -9.635
215 HZ3 TRP 31 HZ3 TRP 31 -2.655 -11.449 -7.666
216 HH2 TRP 31 HH2 TRP 31 -1.952 -12.763 -9.647
217 H HIS 32 H HIS 32 4.975 -12.962 -4.851
218 HA HIS 32 HA HIS 32 5.844 -10.508 -6.207
219 1HB HIS 32 1HB HIS 32 7.128 -12.595 -5.119
220 2HB HIS 32 2HB HIS 32 7.003 -13.213 -6.764
221 HD1 HIS 32 HD1 HIS 32 9.788 -12.715 -6.166
222 HD2 HIS 32 HD2 HIS 32 7.324 -9.533 -7.249
223 HE1 HIS 32 HE1 HIS 32 11.318 -10.869 -6.982
224 H ILE 33 H ILE 33 4.586 -9.951 -7.945
225 HA ILE 33 HA ILE 33 3.105 -11.762 -9.597
226 HB ILE 33 HB ILE 33 4.093 -8.936 -10.088
227 1HG1 ILE 33 1HG1 ILE 33 1.564 -9.992 -8.775
228 2HG1 ILE 33 2HG1 ILE 33 2.884 -9.158 -7.956
229 1HG2 ILE 33 1HG2 ILE 33 2.085 -10.724 -11.421
230 2HG2 ILE 33 2HG2 ILE 33 3.216 -9.580 -12.144
231 3HG2 ILE 33 3HG2 ILE 33 1.761 -8.993 -11.339
232 1HD1 ILE 33 1HD1 ILE 33 1.463 -7.878 -10.283
233 2HD1 ILE 33 2HD1 ILE 33 2.404 -7.107 -9.006
234 3HD1 ILE 33 3HD1 ILE 33 0.806 -7.764 -8.650
235 HA PRO 34 HA PRO 34 6.669 -11.131 -12.745
236 1HB PRO 34 1HB PRO 34 9.151 -10.564 -11.745
237 2HB PRO 34 2HB PRO 34 7.990 -9.315 -12.236
238 1HG PRO 34 1HG PRO 34 8.693 -10.282 -9.521
239 2HG PRO 34 2HG PRO 34 8.276 -8.653 -10.069
240 1HD PRO 34 1HD PRO 34 6.563 -10.335 -8.745
241 2HD PRO 34 2HD PRO 34 6.040 -9.003 -9.797
242 H THR 35 H THR 35 8.300 -12.206 -9.715
243 HA THR 35 HA THR 35 9.270 -14.628 -11.092
244 HB THR 35 HB THR 35 10.584 -14.891 -9.117
245 HG1 THR 35 HG1 THR 35 8.581 -13.275 -7.956
246 1HG2 THR 35 1HG2 THR 35 11.718 -12.848 -9.023
247 2HG2 THR 35 2HG2 THR 35 10.231 -11.907 -9.133
248 3HG2 THR 35 3HG2 THR 35 10.863 -12.726 -10.560
249 H GLY 36 H GLY 36 6.866 -13.767 -8.634
250 1HA GLY 36 1HA GLY 36 4.847 -15.075 -8.309
251 2HA GLY 36 2HA GLY 36 5.699 -16.486 -8.936
252 H THR 37 H THR 37 7.977 -15.257 -7.062
253 HA THR 37 HA THR 37 7.727 -17.175 -4.960
254 HB THR 37 HB THR 37 9.235 -14.590 -4.704
255 HG1 THR 37 HG1 THR 37 10.183 -16.705 -6.290
256 1HG2 THR 37 1HG2 THR 37 10.446 -17.281 -4.375
257 2HG2 THR 37 2HG2 THR 37 9.228 -16.804 -3.192
258 3HG2 THR 37 3HG2 THR 37 10.672 -15.818 -3.417
259 H THR 38 H THR 38 7.293 -16.761 -2.678
260 HA THR 38 HA THR 38 5.530 -14.373 -2.207
261 HB THR 38 HB THR 38 4.988 -16.497 -0.374
262 HG1 THR 38 HG1 THR 38 5.080 -18.226 -1.545
263 1HG2 THR 38 1HG2 THR 38 3.542 -14.654 -1.580
264 2HG2 THR 38 2HG2 THR 38 2.804 -16.185 -1.109
265 3HG2 THR 38 3HG2 THR 38 3.297 -15.921 -2.782
266 H GLN 39 H GLN 39 5.611 -13.562 0.055
267 HA GLN 39 HA GLN 39 7.982 -14.448 1.634
268 1HB GLN 39 1HB GLN 39 7.401 -11.606 0.737
269 2HB GLN 39 2HB GLN 39 8.764 -12.114 1.735
270 1HG GLN 39 1HG GLN 39 9.257 -13.757 -0.248
271 2HG GLN 39 2HG GLN 39 8.256 -12.641 -1.179
272 1HE2 GLN 39 1HE2 GLN 39 11.420 -13.229 -0.598
273 2HE2 GLN 39 2HE2 GLN 39 12.042 -11.650 -0.651
274 H TRP 40 H TRP 40 7.522 -11.749 3.093
275 HA TRP 40 HA TRP 40 4.867 -12.102 4.323
276 1HB TRP 40 1HB TRP 40 6.455 -13.836 5.284
277 2HB TRP 40 2HB TRP 40 7.409 -12.502 5.925
278 HD1 TRP 40 HD1 TRP 40 6.524 -11.231 7.998
279 HE1 TRP 40 HE1 TRP 40 4.537 -11.595 9.602
280 HE3 TRP 40 HE3 TRP 40 3.904 -14.738 5.371
281 HZ2 TRP 40 HZ2 TRP 40 2.150 -13.166 9.747
282 HZ3 TRP 40 HZ3 TRP 40 1.778 -15.648 6.262
283 HH2 TRP 40 HH2 TRP 40 0.900 -14.869 8.445
284 H GLU 41 H GLU 41 8.108 -10.696 4.764
285 HA GLU 41 HA GLU 41 6.947 -8.222 5.913
286 1HB GLU 41 1HB GLU 41 9.830 -8.968 5.334
287 2HB GLU 41 2HB GLU 41 9.253 -7.754 6.477
288 1HG GLU 41 1HG GLU 41 8.103 -9.573 7.754
289 2HG GLU 41 2HG GLU 41 8.838 -10.751 6.666
290 HA PRO 42 HA PRO 42 7.264 -5.860 2.227
291 1HB PRO 42 1HB PRO 42 8.268 -3.473 3.125
292 2HB PRO 42 2HB PRO 42 6.603 -4.004 3.440
293 1HG PRO 42 1HG PRO 42 8.986 -4.090 5.223
294 2HG PRO 42 2HG PRO 42 7.300 -3.709 5.609
295 1HD PRO 42 1HD PRO 42 8.450 -6.120 6.138
296 2HD PRO 42 2HD PRO 42 6.713 -5.914 5.821
297 HA PRO 43 HA PRO 43 11.531 -6.655 1.134
298 1HB PRO 43 1HB PRO 43 11.190 -6.346 -1.564
299 2HB PRO 43 2HB PRO 43 10.719 -7.820 -0.693
300 1HG PRO 43 1HG PRO 43 9.033 -5.557 -1.634
301 2HG PRO 43 2HG PRO 43 8.684 -7.293 -1.610
302 1HD PRO 43 1HD PRO 43 7.702 -5.527 0.227
303 2HD PRO 43 2HD PRO 43 7.971 -7.251 0.561
304 H GLY 44 H GLY 44 12.387 -4.684 2.048
305 1HA GLY 44 1HA GLY 44 13.796 -2.882 0.753
306 2HA GLY 44 2HA GLY 44 12.200 -2.249 0.345
307 H ARG 45 H ARG 45 14.024 -0.698 1.800
308 HA ARG 45 HA ARG 45 13.336 -0.894 4.662
309 1HB ARG 45 1HB ARG 45 15.305 0.368 2.923
310 2HB ARG 45 2HB ARG 45 14.689 1.498 4.128
311 1HG ARG 45 1HG ARG 45 15.058 -0.475 5.803
312 2HG ARG 45 2HG ARG 45 16.125 -1.111 4.551
313 1HD ARG 45 1HD ARG 45 17.706 0.515 4.899
314 2HD ARG 45 2HD ARG 45 16.488 1.768 5.210
315 HE ARG 45 HE ARG 45 16.181 0.774 7.472
316 1HH1 ARG 45 1HH1 ARG 45 17.433 -1.890 6.978
317 2HH1 ARG 45 2HH1 ARG 45 18.988 -1.711 7.718
318 1HH2 ARG 45 1HH2 ARG 45 18.826 1.751 7.837
319 2HH2 ARG 45 2HH2 ARG 45 19.777 0.351 8.207
320 H ALA 46 H ALA 46 13.467 2.127 2.854
321 HA ALA 46 HA ALA 46 10.557 2.578 3.143
322 1HB ALA 46 1HB ALA 46 11.253 4.771 4.404
323 2HB ALA 46 2HB ALA 46 12.738 3.886 4.748
324 3HB ALA 46 3HB ALA 46 11.187 3.255 5.301
325 H SER 47 H SER 47 13.615 4.342 2.600
326 HA SER 47 HA SER 47 12.892 4.997 -0.153
327 1HB SER 47 1HB SER 47 13.077 7.562 0.806
328 2HB SER 47 2HB SER 47 11.557 6.724 0.510
329 HG SER 47 HG SER 47 13.012 6.641 2.949
330 HA PRO 48 HA PRO 48 17.260 5.487 -0.249
331 1HB PRO 48 1HB PRO 48 17.516 6.964 -2.538
332 2HB PRO 48 2HB PRO 48 17.105 5.238 -2.543
333 1HG PRO 48 1HG PRO 48 15.335 7.605 -2.878
334 2HG PRO 48 2HG PRO 48 15.284 6.033 -3.689
335 1HD PRO 48 1HD PRO 48 13.619 6.735 -1.640
336 2HD PRO 48 2HD PRO 48 14.082 5.059 -2.006
337 H SER 49 H SER 49 17.324 6.902 1.676
338 HA SER 49 HA SER 49 18.011 8.899 2.740
339 1HB SER 49 1HB SER 49 19.166 8.779 0.190
340 2HB SER 49 2HB SER 49 18.495 10.403 0.290
341 HG SER 49 HG SER 49 20.680 9.408 1.463
342 H GLN 50 H GLN 50 16.671 10.460 3.577
343 HA GLN 50 HA GLN 50 14.242 11.217 2.072
344 1HB GLN 50 1HB GLN 50 15.019 10.791 4.763
345 2HB GLN 50 2HB GLN 50 14.597 12.500 4.639
346 1HG GLN 50 1HG GLN 50 12.561 11.428 3.218
347 2HG GLN 50 2HG GLN 50 12.876 10.099 4.334
348 1HE2 GLN 50 1HE2 GLN 50 12.269 10.381 6.539
349 2HE2 GLN 50 2HE2 GLN 50 11.537 11.794 7.131