Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504609 | 2emg RC | 10184 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 5.152 -33.973 2.553
2 HA2 GLY 1 1HA GLY 1 6.382 -32.549 0.354
3 HA3 GLY 1 2HA GLY 1 5.294 -33.839 -0.138
4 H SER 2 H SER 2 5.519 -30.781 1.585
5 HA SER 2 HA SER 2 2.740 -30.235 0.874
6 HB2 SER 2 1HB SER 2 2.193 -29.438 3.126
7 HB3 SER 2 2HB SER 2 2.658 -31.139 3.170
8 HG SER 2 HG SER 2 4.607 -29.161 3.581
9 H SER 3 H SER 3 2.650 -28.325 -0.086
10 HA SER 3 HA SER 3 4.783 -26.590 -0.405
11 HB2 SER 3 1HB SER 3 2.937 -26.469 -1.928
12 HB3 SER 3 2HB SER 3 1.810 -26.090 -0.625
13 HG SER 3 HG SER 3 3.089 -24.385 -2.118
14 H GLY 4 H GLY 4 2.112 -26.425 1.925
15 HA2 GLY 4 1HA GLY 4 1.975 -25.365 3.962
16 HA3 GLY 4 2HA GLY 4 3.713 -25.119 3.875
17 H SER 5 H SER 5 1.160 -23.956 1.704
18 HA SER 5 HA SER 5 2.133 -21.225 2.180
19 HB2 SER 5 1HB SER 5 0.820 -22.565 -0.162
20 HB3 SER 5 2HB SER 5 0.719 -20.813 0.018
21 HG SER 5 HG SER 5 2.967 -20.721 -0.010
22 H SER 6 H SER 6 0.301 -19.542 1.734
23 HA SER 6 HA SER 6 -2.294 -20.350 2.742
24 HB2 SER 6 1HB SER 6 -0.988 -19.966 4.804
25 HB3 SER 6 2HB SER 6 -0.610 -18.335 4.251
26 HG SER 6 HG SER 6 -2.606 -18.931 5.703
27 H GLY 7 H GLY 7 -3.852 -18.523 2.735
28 HA2 GLY 7 1HA GLY 7 -3.632 -16.005 1.864
29 HA3 GLY 7 2HA GLY 7 -3.394 -16.897 0.369
30 H THR 8 H THR 8 -5.636 -16.763 3.134
31 HA THR 8 HA THR 8 -7.858 -16.932 1.217
32 HB THR 8 HB THR 8 -7.701 -18.468 3.818
33 HG1 THR 8 HG1 THR 8 -7.165 -20.138 2.612
34 HG21 THR 8 3HG2 THR 8 -9.960 -17.465 2.685
35 HG22 THR 8 1HG2 THR 8 -9.901 -18.935 3.656
36 HG23 THR 8 2HG2 THR 8 -9.851 -19.038 1.896
37 H GLY 9 H GLY 9 -8.237 -14.714 1.440
38 HA2 GLY 9 1HA GLY 9 -10.131 -13.821 3.148
39 HA3 GLY 9 2HA GLY 9 -8.652 -13.565 4.062
40 H GLU 10 H GLU 10 -10.457 -12.650 1.201
41 HA GLU 10 HA GLU 10 -8.859 -10.966 -0.158
42 HB2 GLU 10 1HB GLU 10 -10.789 -9.662 -0.758
43 HB3 GLU 10 2HB GLU 10 -11.279 -11.344 -0.610
44 HG2 GLU 10 1HG GLU 10 -12.988 -10.350 0.503
45 HG3 GLU 10 2HG GLU 10 -11.873 -10.602 1.845
46 H ASN 11 H ASN 11 -8.224 -8.789 -0.057
47 HA ASN 11 HA ASN 11 -8.442 -7.521 2.589
48 HB2 ASN 11 1HB ASN 11 -5.982 -8.018 0.939
49 HB3 ASN 11 2HB ASN 11 -6.048 -6.649 2.045
50 HD21 ASN 11 1HD2 ASN 11 -5.469 -9.950 1.717
51 HD22 ASN 11 2HD2 ASN 11 -5.331 -10.347 3.393
52 HA PRO 12 HA PRO 12 -9.751 -3.962 0.354
53 HB2 PRO 12 1HB PRO 12 -9.165 -2.054 2.194
54 HB3 PRO 12 2HB PRO 12 -10.526 -3.168 2.366
55 HG2 PRO 12 1HG PRO 12 -7.807 -3.293 3.612
56 HG3 PRO 12 2HG PRO 12 -9.390 -3.608 4.347
57 HD2 PRO 12 1HD PRO 12 -7.742 -5.595 3.531
58 HD3 PRO 12 2HD PRO 12 -9.510 -5.739 3.477
59 H PHE 13 H PHE 13 -6.655 -3.532 2.079
60 HA PHE 13 HA PHE 13 -5.301 -2.791 -0.337
61 HB2 PHE 13 1HB PHE 13 -5.533 -0.662 1.793
62 HB3 PHE 13 2HB PHE 13 -4.749 -0.523 0.222
63 HD1 PHE 13 HD2 PHE 13 -6.176 -0.614 -1.851
64 HD2 PHE 13 HD1 PHE 13 -7.807 -0.187 2.057
65 HE1 PHE 13 HE2 PHE 13 -8.272 0.232 -2.822
66 HE2 PHE 13 HE1 PHE 13 -9.907 0.659 1.092
67 HZ PHE 13 HZ PHE 13 -10.141 0.871 -1.350
68 H ILE 14 H ILE 14 -3.015 -2.555 -0.047
69 HA ILE 14 HA ILE 14 -1.933 -3.123 2.597
70 HB ILE 14 HB ILE 14 -1.428 -4.940 0.238
71 HG12 ILE 14 1HG1 ILE 14 -2.613 -5.608 2.936
72 HG13 ILE 14 2HG1 ILE 14 -3.586 -5.251 1.513
73 HG21 ILE 14 1HG2 ILE 14 0.622 -4.638 1.433
74 HG22 ILE 14 2HG2 ILE 14 -0.189 -4.864 2.981
75 HG23 ILE 14 3HG2 ILE 14 -0.033 -6.218 1.863
76 HD11 ILE 14 3HD1 ILE 14 -2.708 -7.166 0.370
77 HD12 ILE 14 1HD1 ILE 14 -1.577 -7.482 1.686
78 HD13 ILE 14 2HD1 ILE 14 -3.312 -7.662 1.951
79 H CYS 15 H CYS 15 0.037 -2.240 2.915
80 HA CYS 15 HA CYS 15 1.073 -0.473 0.913
81 HB2 CYS 15 1HB CYS 15 1.075 -0.123 3.456
82 HB3 CYS 15 2HB CYS 15 2.461 -1.209 3.484
83 H SER 16 H SER 16 1.730 -1.776 -0.806
84 HA SER 16 HA SER 16 3.162 -4.065 -0.876
85 HB2 SER 16 1HB SER 16 3.744 -1.672 -2.637
86 HB3 SER 16 2HB SER 16 4.083 -3.360 -3.019
87 HG SER 16 HG SER 16 2.176 -3.108 -3.956
88 H GLU 17 H GLU 17 4.315 -0.957 0.155
89 HA GLU 17 HA GLU 17 7.087 -1.423 -0.041
90 HB2 GLU 17 1HB GLU 17 5.443 0.402 1.704
91 HB3 GLU 17 2HB GLU 17 7.199 0.357 1.794
92 HG2 GLU 17 1HG GLU 17 5.575 1.027 -0.650
93 HG3 GLU 17 2HG GLU 17 6.423 2.178 0.382
94 H CYS 18 H CYS 18 5.121 -1.385 2.937
95 HA CYS 18 HA CYS 18 7.042 -3.247 4.142
96 HB2 CYS 18 1HB CYS 18 5.896 -2.588 6.294
97 HB3 CYS 18 2HB CYS 18 6.753 -1.288 5.472
98 H GLY 19 H GLY 19 3.565 -2.762 3.644
99 HA2 GLY 19 1HA GLY 19 2.237 -4.691 2.975
100 HA3 GLY 19 2HA GLY 19 3.212 -5.663 4.068
101 H LYS 20 H LYS 20 1.629 -2.525 4.579
102 HA LYS 20 HA LYS 20 0.285 -3.688 6.917
103 HB2 LYS 20 1HB LYS 20 1.684 -1.780 7.435
104 HB3 LYS 20 2HB LYS 20 0.890 -0.816 6.197
105 HG2 LYS 20 1HG LYS 20 -0.994 -0.491 7.459
106 HG3 LYS 20 2HG LYS 20 -0.754 -1.968 8.394
107 HD2 LYS 20 1HD LYS 20 1.404 -0.682 9.211
108 HD3 LYS 20 2HD LYS 20 0.451 0.731 8.752
109 HE2 LYS 20 1HE LYS 20 0.091 0.255 11.085
110 HE3 LYS 20 2HE LYS 20 -1.386 -0.093 10.188
111 HZ1 LYS 20 3HZ LYS 20 -0.156 -2.470 10.145
112 HZ2 LYS 20 1HZ LYS 20 -1.299 -2.016 11.307
113 HZ3 LYS 20 2HZ LYS 20 0.352 -1.884 11.648
114 H VAL 21 H VAL 21 -1.855 -3.942 6.947
115 HA VAL 21 HA VAL 21 -3.397 -3.115 4.629
116 HB VAL 21 HB VAL 21 -3.672 -5.396 5.502
117 HG11 VAL 21 1HG1 VAL 21 -4.546 -5.889 7.622
118 HG12 VAL 21 2HG1 VAL 21 -3.330 -4.645 7.918
119 HG13 VAL 21 3HG1 VAL 21 -5.042 -4.220 7.902
120 HG21 VAL 21 3HG2 VAL 21 -5.876 -5.480 4.980
121 HG22 VAL 21 1HG2 VAL 21 -6.303 -4.190 6.105
122 HG23 VAL 21 2HG2 VAL 21 -5.593 -3.796 4.539
123 H PHE 22 H PHE 22 -4.912 -1.553 4.586
124 HA PHE 22 HA PHE 22 -5.538 -0.186 7.120
125 HB2 PHE 22 1HB PHE 22 -5.118 1.066 4.398
126 HB3 PHE 22 2HB PHE 22 -5.653 1.930 5.835
127 HD1 PHE 22 HD2 PHE 22 -2.838 0.028 4.378
128 HD2 PHE 22 HD1 PHE 22 -4.113 2.715 7.423
129 HE1 PHE 22 HE2 PHE 22 -0.492 0.427 5.004
130 HE2 PHE 22 HE1 PHE 22 -1.769 3.119 8.053
131 HZ PHE 22 HZ PHE 22 0.045 1.974 6.844
132 H THR 23 H THR 23 -7.628 0.637 7.364
133 HA THR 23 HA THR 23 -9.678 -0.862 6.093
134 HB THR 23 HB THR 23 -10.132 1.653 7.691
135 HG1 THR 23 HG1 THR 23 -9.986 0.365 9.543
136 HG21 THR 23 3HG2 THR 23 -11.745 -0.680 6.835
137 HG22 THR 23 1HG2 THR 23 -12.222 1.000 7.073
138 HG23 THR 23 2HG2 THR 23 -12.033 -0.069 8.464
139 H HIS 24 H HIS 24 -8.668 2.535 5.874
140 HA HIS 24 HA HIS 24 -10.375 2.813 3.490
141 HB2 HIS 24 1HB HIS 24 -10.574 4.344 5.648
142 HB3 HIS 24 2HB HIS 24 -9.241 5.199 4.878
143 HD1 HIS 24 HD1 HIS 24 -9.810 6.744 2.980
144 HD2 HIS 24 HD2 HIS 24 -12.998 4.319 4.083
145 HE1 HIS 24 HE1 HIS 24 -11.793 7.621 1.707
146 H LYS 25 H LYS 25 -9.518 3.579 1.595
147 HA LYS 25 HA LYS 25 -6.824 3.062 1.043
148 HB2 LYS 25 1HB LYS 25 -8.674 3.109 -0.635
149 HB3 LYS 25 2HB LYS 25 -8.679 4.864 -0.523
150 HG2 LYS 25 1HG LYS 25 -6.333 4.885 -1.293
151 HG3 LYS 25 2HG LYS 25 -6.412 3.133 -1.489
152 HD2 LYS 25 1HD LYS 25 -8.139 3.349 -3.155
153 HD3 LYS 25 2HD LYS 25 -8.237 5.090 -2.882
154 HE2 LYS 25 1HE LYS 25 -5.747 5.115 -3.528
155 HE3 LYS 25 2HE LYS 25 -6.045 3.504 -4.179
156 HZ1 LYS 25 3HZ LYS 25 -6.268 5.379 -5.799
157 HZ2 LYS 25 1HZ LYS 25 -7.643 5.879 -4.950
158 HZ3 LYS 25 2HZ LYS 25 -7.617 4.363 -5.699
159 H THR 26 H THR 26 -8.400 5.903 2.239
160 HA THR 26 HA THR 26 -6.367 7.774 1.542
161 HB THR 26 HB THR 26 -8.837 8.212 2.266
162 HG1 THR 26 HG1 THR 26 -6.925 9.956 3.413
163 HG21 THR 26 3HG2 THR 26 -7.456 8.411 4.942
164 HG22 THR 26 1HG2 THR 26 -8.552 7.107 4.485
165 HG23 THR 26 2HG2 THR 26 -9.147 8.764 4.587
166 H ASN 27 H ASN 27 -7.050 5.824 4.409
167 HA ASN 27 HA ASN 27 -5.094 6.958 6.087
168 HB2 ASN 27 1HB ASN 27 -7.057 5.329 6.634
169 HB3 ASN 27 2HB ASN 27 -5.881 4.067 6.277
170 HD21 ASN 27 1HD2 ASN 27 -6.872 4.046 8.718
171 HD22 ASN 27 2HD2 ASN 27 -5.736 4.638 9.877
172 H LEU 28 H LEU 28 -4.971 4.356 3.722
173 HA LEU 28 HA LEU 28 -2.377 3.428 4.390
174 HB2 LEU 28 1HB LEU 28 -3.657 1.924 3.169
175 HB3 LEU 28 2HB LEU 28 -4.167 3.150 2.010
176 HG LEU 28 HG LEU 28 -1.759 3.159 1.191
177 HD11 LEU 28 1HD1 LEU 28 -0.360 1.319 1.696
178 HD12 LEU 28 2HD1 LEU 28 -1.641 0.498 2.587
179 HD13 LEU 28 3HD1 LEU 28 -0.912 1.965 3.241
180 HD21 LEU 28 3HD2 LEU 28 -3.155 0.524 0.823
181 HD22 LEU 28 1HD2 LEU 28 -2.176 1.423 -0.336
182 HD23 LEU 28 2HD2 LEU 28 -3.770 2.022 0.124
183 H ILE 29 H ILE 29 -3.538 5.576 1.798
184 HA ILE 29 HA ILE 29 -1.105 6.145 0.601
185 HB ILE 29 HB ILE 29 -3.463 8.000 0.955
186 HG12 ILE 29 1HG1 ILE 29 -2.745 6.354 -1.468
187 HG13 ILE 29 2HG1 ILE 29 -3.801 5.742 -0.199
188 HG21 ILE 29 1HG2 ILE 29 -1.203 9.020 0.322
189 HG22 ILE 29 2HG2 ILE 29 -1.394 8.170 -1.211
190 HG23 ILE 29 3HG2 ILE 29 -2.581 9.377 -0.719
191 HD11 ILE 29 3HD1 ILE 29 -4.269 8.066 -2.038
192 HD12 ILE 29 1HD1 ILE 29 -5.199 6.574 -1.899
193 HD13 ILE 29 2HD1 ILE 29 -5.245 7.766 -0.600
194 H ILE 30 H ILE 30 -2.639 7.705 3.386
195 HA ILE 30 HA ILE 30 -0.740 9.757 3.722
196 HB ILE 30 HB ILE 30 -2.458 8.442 5.830
197 HG12 ILE 30 1HG1 ILE 30 -3.072 11.065 4.521
198 HG13 ILE 30 2HG1 ILE 30 -3.490 9.570 3.690
199 HG21 ILE 30 1HG2 ILE 30 -0.562 9.755 6.721
200 HG22 ILE 30 2HG2 ILE 30 -1.158 11.161 5.839
201 HG23 ILE 30 3HG2 ILE 30 -2.132 10.451 7.126
202 HD11 ILE 30 3HD1 ILE 30 -5.358 10.493 4.976
203 HD12 ILE 30 1HD1 ILE 30 -4.880 8.893 5.545
204 HD13 ILE 30 2HD1 ILE 30 -4.407 10.330 6.452
205 H HIS 31 H HIS 31 -0.820 6.416 4.768
206 HA HIS 31 HA HIS 31 1.341 6.627 6.620
207 HB2 HIS 31 1HB HIS 31 0.073 4.762 7.077
208 HB3 HIS 31 2HB HIS 31 -0.202 4.399 5.376
209 HD1 HIS 31 HD1 HIS 31 1.911 3.512 8.230
210 HD2 HIS 31 HD2 HIS 31 2.059 3.110 4.097
211 HE1 HIS 31 HE1 HIS 31 3.674 1.774 7.786
212 H GLN 32 H GLN 32 1.100 5.299 3.321
213 HA GLN 32 HA GLN 32 3.636 4.469 2.860
214 HB2 GLN 32 1HB GLN 32 1.740 5.947 1.050
215 HB3 GLN 32 2HB GLN 32 3.296 5.364 0.474
216 HG2 GLN 32 1HG GLN 32 2.665 3.083 1.083
217 HG3 GLN 32 2HG GLN 32 1.102 3.671 1.649
218 HE21 GLN 32 1HE2 GLN 32 2.062 1.846 -0.592
219 HE22 GLN 32 2HE2 GLN 32 1.211 2.419 -1.981
220 H LYS 33 H LYS 33 2.616 7.716 3.409
221 HA LYS 33 HA LYS 33 4.540 9.251 2.196
222 HB2 LYS 33 1HB LYS 33 3.387 9.606 4.969
223 HB3 LYS 33 2HB LYS 33 4.249 10.849 4.071
224 HG2 LYS 33 1HG LYS 33 1.896 9.577 2.783
225 HG3 LYS 33 2HG LYS 33 1.615 10.720 4.098
226 HD2 LYS 33 1HD LYS 33 3.183 12.290 2.826
227 HD3 LYS 33 2HD LYS 33 2.974 11.193 1.460
228 HE2 LYS 33 1HE LYS 33 0.463 11.501 1.835
229 HE3 LYS 33 2HE LYS 33 0.907 12.866 2.858
230 HZ1 LYS 33 3HZ LYS 33 0.804 12.708 0.021
231 HZ2 LYS 33 1HZ LYS 33 2.339 13.200 0.536
232 HZ3 LYS 33 2HZ LYS 33 0.968 14.069 1.012
233 H ILE 34 H ILE 34 4.814 7.396 5.189
234 HA ILE 34 HA ILE 34 7.322 8.325 6.016
235 HB ILE 34 HB ILE 34 7.474 6.376 7.401
236 HG12 ILE 34 1HG1 ILE 34 5.157 5.184 5.872
237 HG13 ILE 34 2HG1 ILE 34 6.838 4.772 5.553
238 HG21 ILE 34 1HG2 ILE 34 5.927 7.890 8.289
239 HG22 ILE 34 2HG2 ILE 34 4.705 7.485 7.085
240 HG23 ILE 34 3HG2 ILE 34 5.104 6.332 8.359
241 HD11 ILE 34 3HD1 ILE 34 6.280 4.513 8.350
242 HD12 ILE 34 1HD1 ILE 34 5.107 3.598 7.404
243 HD13 ILE 34 2HD1 ILE 34 6.833 3.298 7.199
244 H HIS 35 H HIS 35 6.415 6.077 3.532
245 HA HIS 35 HA HIS 35 9.029 4.908 3.257
246 HB2 HIS 35 1HB HIS 35 6.533 4.796 1.563
247 HB3 HIS 35 2HB HIS 35 8.030 3.988 1.107
248 HD1 HIS 35 HD1 HIS 35 8.889 2.721 3.710
249 HD2 HIS 35 HD2 HIS 35 4.942 2.781 2.416
250 HE1 HIS 35 HE1 HIS 35 7.763 0.812 4.898
251 H THR 36 H THR 36 7.220 7.514 1.758
252 HA THR 36 HA THR 36 9.437 8.026 -0.094
253 HB THR 36 HB THR 36 7.526 8.135 -1.378
254 HG1 THR 36 HG1 THR 36 8.688 10.204 -1.369
255 HG21 THR 36 3HG2 THR 36 5.428 9.321 -0.551
256 HG22 THR 36 1HG2 THR 36 6.178 9.305 1.045
257 HG23 THR 36 2HG2 THR 36 5.825 7.786 0.222
258 H GLY 37 H GLY 37 10.820 8.816 1.627
259 HA2 GLY 37 1HA GLY 37 10.791 11.638 1.824
260 HA3 GLY 37 2HA GLY 37 10.224 10.939 3.333
261 H GLU 38 H GLU 38 12.788 10.023 1.032
262 HA GLU 38 HA GLU 38 14.713 10.228 3.250
263 HB2 GLU 38 1HB GLU 38 15.831 8.222 2.493
264 HB3 GLU 38 2HB GLU 38 14.136 7.862 2.790
265 HG2 GLU 38 1HG GLU 38 15.212 8.490 0.058
266 HG3 GLU 38 2HG GLU 38 15.149 6.856 0.716
267 H ARG 39 H ARG 39 16.720 11.034 2.762
268 HA ARG 39 HA ARG 39 16.923 12.459 0.243
269 HB2 ARG 39 1HB ARG 39 18.841 13.569 1.239
270 HB3 ARG 39 2HB ARG 39 17.489 13.585 2.364
271 HG2 ARG 39 1HG ARG 39 18.548 11.536 3.428
272 HG3 ARG 39 2HG ARG 39 19.979 11.917 2.469
273 HD2 ARG 39 1HD ARG 39 18.639 13.760 4.445
274 HD3 ARG 39 2HD ARG 39 20.118 12.846 4.735
275 HE ARG 39 HE ARG 39 20.641 14.312 2.489
276 HH11 ARG 39 1HH1 ARG 39 19.612 15.042 5.734
277 HH12 ARG 39 2HH1 ARG 39 20.368 16.600 5.763
278 HH21 ARG 39 1HH2 ARG 39 21.641 16.362 2.515
279 HH22 ARG 39 2HH2 ARG 39 21.521 17.351 3.931
280 HA PRO 40 HA PRO 40 19.535 9.540 -1.763
281 HB2 PRO 40 1HB PRO 40 20.774 11.200 -3.518
282 HB3 PRO 40 2HB PRO 40 19.089 10.696 -3.698
283 HG2 PRO 40 1HG PRO 40 20.195 13.245 -2.584
284 HG3 PRO 40 2HG PRO 40 18.822 13.006 -3.680
285 HD2 PRO 40 1HD PRO 40 18.510 13.439 -1.025
286 HD3 PRO 40 2HD PRO 40 17.393 12.428 -1.966
287 H SER 41 H SER 41 21.811 9.075 -2.215
288 HA SER 41 HA SER 41 23.490 9.243 -0.102
289 HB2 SER 41 1HB SER 41 24.535 9.397 -2.932
290 HB3 SER 41 2HB SER 41 25.287 8.618 -1.540
291 HG SER 41 HG SER 41 23.050 7.421 -1.673
292 H GLY 42 H GLY 42 23.744 11.416 -2.928
293 HA2 GLY 42 1HA GLY 42 23.890 13.830 -1.687
294 HA3 GLY 42 2HA GLY 42 25.518 13.192 -1.512
295 HA PRO 43 HA PRO 43 25.433 15.517 -5.483
296 HB2 PRO 43 1HB PRO 43 27.917 16.565 -5.171
297 HB3 PRO 43 2HB PRO 43 26.468 17.306 -4.482
298 HG2 PRO 43 1HG PRO 43 28.510 15.557 -3.166
299 HG3 PRO 43 2HG PRO 43 27.739 17.032 -2.554
300 HD2 PRO 43 1HD PRO 43 26.948 14.555 -1.799
301 HD3 PRO 43 2HD PRO 43 25.820 15.920 -1.926
302 H SER 44 H SER 44 27.408 13.086 -4.080
303 HA SER 44 HA SER 44 29.461 12.575 -5.730
304 HB2 SER 44 1HB SER 44 27.436 10.616 -4.643
305 HB3 SER 44 2HB SER 44 28.903 10.102 -5.476
306 HG SER 44 HG SER 44 28.623 10.814 -2.935
307 H SER 45 H SER 45 29.431 13.067 -7.851
308 HA SER 45 HA SER 45 27.620 11.502 -9.554
309 HB2 SER 45 1HB SER 45 27.518 13.534 -11.084
310 HB3 SER 45 2HB SER 45 26.615 13.661 -9.575
311 HG SER 45 HG SER 45 27.931 15.178 -8.906
312 H GLY 46 H GLY 46 30.638 13.284 -9.219
313 HA2 GLY 46 1HA GLY 46 32.225 11.448 -10.546
314 HA3 GLY 46 2HA GLY 46 31.686 12.586 -11.773
Start of MODEL 2
1 H1 GLY 1 H GLY 1 4.696 -19.707 -13.210
2 HA2 GLY 1 1HA GLY 1 4.552 -22.102 -12.788
3 HA3 GLY 1 2HA GLY 1 5.678 -21.871 -11.459
4 H SER 2 H SER 2 4.938 -20.890 -9.524
5 HA SER 2 HA SER 2 2.258 -21.603 -8.854
6 HB2 SER 2 1HB SER 2 4.544 -20.337 -7.381
7 HB3 SER 2 2HB SER 2 2.933 -20.334 -6.664
8 HG SER 2 HG SER 2 3.256 -22.763 -7.477
9 H SER 3 H SER 3 1.077 -20.296 -10.370
10 HA SER 3 HA SER 3 1.121 -17.414 -9.976
11 HB2 SER 3 1HB SER 3 -0.400 -17.313 -11.868
12 HB3 SER 3 2HB SER 3 0.946 -18.381 -12.264
13 HG SER 3 HG SER 3 -0.469 -20.139 -11.630
14 H GLY 4 H GLY 4 0.316 -17.264 -7.849
15 HA2 GLY 4 1HA GLY 4 -2.406 -18.242 -7.380
16 HA3 GLY 4 2HA GLY 4 -1.305 -17.622 -6.158
17 H SER 5 H SER 5 -2.257 -16.158 -9.242
18 HA SER 5 HA SER 5 -2.711 -13.628 -8.005
19 HB2 SER 5 1HB SER 5 -1.944 -14.101 -10.420
20 HB3 SER 5 2HB SER 5 -3.651 -14.375 -10.769
21 HG SER 5 HG SER 5 -3.739 -12.169 -9.537
22 H SER 6 H SER 6 -4.305 -14.214 -6.417
23 HA SER 6 HA SER 6 -6.996 -13.865 -7.417
24 HB2 SER 6 1HB SER 6 -6.646 -16.339 -7.468
25 HB3 SER 6 2HB SER 6 -6.347 -16.294 -5.731
26 HG SER 6 HG SER 6 -8.697 -15.139 -6.723
27 H GLY 7 H GLY 7 -8.533 -13.365 -5.724
28 HA2 GLY 7 1HA GLY 7 -7.283 -11.867 -3.592
29 HA3 GLY 7 2HA GLY 7 -8.999 -11.923 -3.965
30 H THR 8 H THR 8 -6.737 -14.552 -3.207
31 HA THR 8 HA THR 8 -8.560 -15.892 -1.530
32 HB THR 8 HB THR 8 -5.550 -16.175 -1.507
33 HG1 THR 8 HG1 THR 8 -7.506 -16.992 -3.325
34 HG21 THR 8 3HG2 THR 8 -7.724 -17.542 -0.154
35 HG22 THR 8 1HG2 THR 8 -5.985 -17.653 0.114
36 HG23 THR 8 2HG2 THR 8 -6.751 -18.648 -1.124
37 H GLY 9 H GLY 9 -6.207 -13.395 -0.921
38 HA2 GLY 9 1HA GLY 9 -6.079 -13.750 1.912
39 HA3 GLY 9 2HA GLY 9 -5.539 -12.338 1.015
40 H GLU 10 H GLU 10 -8.175 -11.953 -0.237
41 HA GLU 10 HA GLU 10 -10.062 -10.735 0.123
42 HB2 GLU 10 1HB GLU 10 -10.004 -12.316 2.693
43 HB3 GLU 10 2HB GLU 10 -11.330 -11.250 2.251
44 HG2 GLU 10 1HG GLU 10 -11.839 -12.577 0.326
45 HG3 GLU 10 2HG GLU 10 -10.404 -13.569 0.575
46 H ASN 11 H ASN 11 -7.742 -9.354 0.537
47 HA ASN 11 HA ASN 11 -8.219 -7.777 2.972
48 HB2 ASN 11 1HB ASN 11 -5.947 -7.034 2.835
49 HB3 ASN 11 2HB ASN 11 -5.936 -8.779 2.601
50 HD21 ASN 11 1HD2 ASN 11 -5.704 -5.680 0.988
51 HD22 ASN 11 2HD2 ASN 11 -4.875 -6.257 -0.413
52 HA PRO 12 HA PRO 12 -9.761 -4.417 0.583
53 HB2 PRO 12 1HB PRO 12 -9.224 -2.383 2.299
54 HB3 PRO 12 2HB PRO 12 -10.523 -3.551 2.570
55 HG2 PRO 12 1HG PRO 12 -7.770 -3.474 3.744
56 HG3 PRO 12 2HG PRO 12 -9.316 -3.823 4.539
57 HD2 PRO 12 1HD PRO 12 -7.593 -5.771 3.787
58 HD3 PRO 12 2HD PRO 12 -9.353 -6.003 3.791
59 H PHE 13 H PHE 13 -6.664 -3.700 2.211
60 HA PHE 13 HA PHE 13 -5.396 -3.052 -0.282
61 HB2 PHE 13 1HB PHE 13 -5.539 -0.784 1.687
62 HB3 PHE 13 2HB PHE 13 -5.066 -0.743 -0.009
63 HD1 PHE 13 HD2 PHE 13 -6.779 -0.881 -1.774
64 HD2 PHE 13 HD1 PHE 13 -7.813 -0.602 2.346
65 HE1 PHE 13 HE2 PHE 13 -9.067 -0.226 -2.396
66 HE2 PHE 13 HE1 PHE 13 -10.104 0.053 1.730
67 HZ PHE 13 HZ PHE 13 -10.733 0.243 -0.644
68 H ILE 14 H ILE 14 -3.154 -2.939 -0.119
69 HA ILE 14 HA ILE 14 -2.001 -3.276 2.560
70 HB ILE 14 HB ILE 14 -1.380 -5.019 0.173
71 HG12 ILE 14 1HG1 ILE 14 -2.483 -5.761 2.890
72 HG13 ILE 14 2HG1 ILE 14 -3.467 -5.558 1.444
73 HG21 ILE 14 1HG2 ILE 14 0.577 -4.308 1.632
74 HG22 ILE 14 2HG2 ILE 14 -0.175 -5.256 2.914
75 HG23 ILE 14 3HG2 ILE 14 0.332 -6.041 1.419
76 HD11 ILE 14 3HD1 ILE 14 -1.443 -7.334 0.721
77 HD12 ILE 14 1HD1 ILE 14 -1.966 -7.835 2.328
78 HD13 ILE 14 2HD1 ILE 14 -3.141 -7.701 1.020
79 H CYS 15 H CYS 15 -0.219 -2.102 2.899
80 HA CYS 15 HA CYS 15 0.650 -0.163 1.087
81 HB2 CYS 15 1HB CYS 15 0.966 -0.127 3.581
82 HB3 CYS 15 2HB CYS 15 2.267 -1.295 3.376
83 H SER 16 H SER 16 2.018 -0.190 -0.575
84 HA SER 16 HA SER 16 3.309 -2.679 -1.294
85 HB2 SER 16 1HB SER 16 2.093 -1.171 -2.936
86 HB3 SER 16 2HB SER 16 3.451 -0.056 -2.787
87 HG SER 16 HG SER 16 3.989 -2.740 -3.359
88 H GLU 17 H GLU 17 4.273 -1.170 1.039
89 HA GLU 17 HA GLU 17 7.063 -0.830 0.165
90 HB2 GLU 17 1HB GLU 17 5.471 0.906 2.044
91 HB3 GLU 17 2HB GLU 17 7.229 0.892 2.049
92 HG2 GLU 17 1HG GLU 17 5.559 1.520 -0.371
93 HG3 GLU 17 2HG GLU 17 6.209 2.734 0.729
94 H CYS 18 H CYS 18 4.965 -1.320 2.999
95 HA CYS 18 HA CYS 18 7.078 -3.011 4.163
96 HB2 CYS 18 1HB CYS 18 5.927 -2.554 6.354
97 HB3 CYS 18 2HB CYS 18 6.666 -1.143 5.603
98 H GLY 19 H GLY 19 3.538 -2.671 3.935
99 HA2 GLY 19 1HA GLY 19 2.348 -4.659 3.054
100 HA3 GLY 19 2HA GLY 19 3.366 -5.617 4.118
101 H LYS 20 H LYS 20 1.627 -2.589 4.755
102 HA LYS 20 HA LYS 20 0.298 -3.936 7.004
103 HB2 LYS 20 1HB LYS 20 1.768 -1.805 7.264
104 HB3 LYS 20 2HB LYS 20 0.369 -0.960 6.614
105 HG2 LYS 20 1HG LYS 20 -0.984 -2.012 8.455
106 HG3 LYS 20 2HG LYS 20 0.542 -2.556 9.155
107 HD2 LYS 20 1HD LYS 20 1.294 -0.313 9.452
108 HD3 LYS 20 2HD LYS 20 -0.050 0.326 8.503
109 HE2 LYS 20 1HE LYS 20 -0.552 0.700 10.802
110 HE3 LYS 20 2HE LYS 20 -1.600 -0.599 10.236
111 HZ1 LYS 20 3HZ LYS 20 0.933 -1.010 11.730
112 HZ2 LYS 20 1HZ LYS 20 -0.175 -2.206 11.275
113 HZ3 LYS 20 2HZ LYS 20 -0.609 -1.044 12.425
114 H VAL 21 H VAL 21 -1.901 -3.920 7.233
115 HA VAL 21 HA VAL 21 -3.423 -3.237 4.841
116 HB VAL 21 HB VAL 21 -4.275 -4.714 7.336
117 HG11 VAL 21 1HG1 VAL 21 -6.112 -5.437 5.584
118 HG12 VAL 21 2HG1 VAL 21 -6.288 -3.969 6.547
119 HG13 VAL 21 3HG1 VAL 21 -5.723 -3.868 4.879
120 HG21 VAL 21 3HG2 VAL 21 -3.562 -5.727 4.584
121 HG22 VAL 21 1HG2 VAL 21 -2.615 -5.946 6.056
122 HG23 VAL 21 2HG2 VAL 21 -4.198 -6.709 5.904
123 H PHE 22 H PHE 22 -5.027 -1.733 4.753
124 HA PHE 22 HA PHE 22 -5.588 -0.198 7.199
125 HB2 PHE 22 1HB PHE 22 -5.132 0.976 4.447
126 HB3 PHE 22 2HB PHE 22 -5.555 1.879 5.898
127 HD1 PHE 22 HD2 PHE 22 -2.939 -0.365 4.507
128 HD2 PHE 22 HD1 PHE 22 -3.891 2.741 7.258
129 HE1 PHE 22 HE2 PHE 22 -0.550 -0.107 5.038
130 HE2 PHE 22 HE1 PHE 22 -1.503 3.004 7.792
131 HZ PHE 22 HZ PHE 22 0.170 1.578 6.683
132 H THR 23 H THR 23 -7.662 0.613 7.411
133 HA THR 23 HA THR 23 -9.699 -0.808 5.992
134 HB THR 23 HB THR 23 -10.101 1.523 7.870
135 HG1 THR 23 HG1 THR 23 -9.481 -1.184 8.358
136 HG21 THR 23 3HG2 THR 23 -12.273 1.123 7.590
137 HG22 THR 23 1HG2 THR 23 -12.047 -0.555 8.081
138 HG23 THR 23 2HG2 THR 23 -11.882 -0.103 6.385
139 H HIS 24 H HIS 24 -8.632 2.573 6.101
140 HA HIS 24 HA HIS 24 -10.433 3.189 3.868
141 HB2 HIS 24 1HB HIS 24 -10.163 4.590 6.101
142 HB3 HIS 24 2HB HIS 24 -8.805 5.291 5.226
143 HD1 HIS 24 HD1 HIS 24 -9.340 6.825 3.239
144 HD2 HIS 24 HD2 HIS 24 -12.707 5.224 5.074
145 HE1 HIS 24 HE1 HIS 24 -11.289 8.114 2.310
146 H LYS 25 H LYS 25 -9.697 3.759 1.890
147 HA LYS 25 HA LYS 25 -7.147 2.990 1.054
148 HB2 LYS 25 1HB LYS 25 -9.186 3.257 -0.393
149 HB3 LYS 25 2HB LYS 25 -8.932 4.996 -0.330
150 HG2 LYS 25 1HG LYS 25 -7.924 4.454 -2.317
151 HG3 LYS 25 2HG LYS 25 -6.553 4.406 -1.207
152 HD2 LYS 25 1HD LYS 25 -6.465 2.088 -1.216
153 HD3 LYS 25 2HD LYS 25 -8.141 1.927 -1.745
154 HE2 LYS 25 1HE LYS 25 -6.978 1.388 -3.665
155 HE3 LYS 25 2HE LYS 25 -7.295 3.106 -3.901
156 HZ1 LYS 25 3HZ LYS 25 -4.798 2.276 -2.595
157 HZ2 LYS 25 1HZ LYS 25 -5.117 3.653 -3.526
158 HZ3 LYS 25 2HZ LYS 25 -4.925 2.150 -4.277
159 H THR 26 H THR 26 -8.431 6.210 1.800
160 HA THR 26 HA THR 26 -6.163 7.693 1.090
161 HB THR 26 HB THR 26 -8.135 8.361 3.283
162 HG1 THR 26 HG1 THR 26 -9.057 7.907 1.150
163 HG21 THR 26 3HG2 THR 26 -5.899 9.668 2.946
164 HG22 THR 26 1HG2 THR 26 -7.408 10.555 3.159
165 HG23 THR 26 2HG2 THR 26 -6.727 10.348 1.545
166 H ASN 27 H ASN 27 -7.054 6.118 4.126
167 HA ASN 27 HA ASN 27 -5.025 7.148 5.745
168 HB2 ASN 27 1HB ASN 27 -6.362 4.435 5.861
169 HB3 ASN 27 2HB ASN 27 -5.391 5.138 7.152
170 HD21 ASN 27 1HD2 ASN 27 -7.727 4.486 7.982
171 HD22 ASN 27 2HD2 ASN 27 -8.814 5.823 8.099
172 H LEU 28 H LEU 28 -5.061 4.300 3.641
173 HA LEU 28 HA LEU 28 -2.522 3.313 4.338
174 HB2 LEU 28 1HB LEU 28 -3.803 1.788 3.189
175 HB3 LEU 28 2HB LEU 28 -4.356 2.980 2.015
176 HG LEU 28 HG LEU 28 -2.064 2.931 1.010
177 HD11 LEU 28 1HD1 LEU 28 -1.584 1.266 3.315
178 HD12 LEU 28 2HD1 LEU 28 -0.436 1.985 2.185
179 HD13 LEU 28 3HD1 LEU 28 -1.170 0.423 1.821
180 HD21 LEU 28 3HD2 LEU 28 -3.867 0.543 1.070
181 HD22 LEU 28 1HD2 LEU 28 -2.393 0.529 0.103
182 HD23 LEU 28 2HD2 LEU 28 -3.637 1.740 -0.205
183 H ILE 29 H ILE 29 -3.549 5.507 1.745
184 HA ILE 29 HA ILE 29 -1.070 5.821 0.496
185 HB ILE 29 HB ILE 29 -3.316 7.825 0.742
186 HG12 ILE 29 1HG1 ILE 29 -2.723 6.195 -1.698
187 HG13 ILE 29 2HG1 ILE 29 -3.608 5.456 -0.368
188 HG21 ILE 29 1HG2 ILE 29 -1.666 8.009 -1.631
189 HG22 ILE 29 2HG2 ILE 29 -2.156 9.266 -0.496
190 HG23 ILE 29 3HG2 ILE 29 -0.736 8.276 -0.156
191 HD11 ILE 29 3HD1 ILE 29 -5.032 7.689 -0.612
192 HD12 ILE 29 1HD1 ILE 29 -4.439 7.557 -2.267
193 HD13 ILE 29 2HD1 ILE 29 -5.362 6.235 -1.553
194 H ILE 30 H ILE 30 -2.569 7.746 3.083
195 HA ILE 30 HA ILE 30 -0.530 9.634 3.373
196 HB ILE 30 HB ILE 30 -2.361 8.554 5.520
197 HG12 ILE 30 1HG1 ILE 30 -2.710 11.072 3.896
198 HG13 ILE 30 2HG1 ILE 30 -3.409 9.534 3.405
199 HG21 ILE 30 1HG2 ILE 30 -0.398 9.777 6.383
200 HG22 ILE 30 2HG2 ILE 30 -0.867 11.170 5.410
201 HG23 ILE 30 3HG2 ILE 30 -1.918 10.609 6.710
202 HD11 ILE 30 3HD1 ILE 30 -5.063 9.686 4.890
203 HD12 ILE 30 1HD1 ILE 30 -3.995 10.265 6.168
204 HD13 ILE 30 2HD1 ILE 30 -4.629 11.393 4.969
205 H HIS 31 H HIS 31 -0.896 6.408 4.733
206 HA HIS 31 HA HIS 31 1.228 6.557 6.589
207 HB2 HIS 31 1HB HIS 31 -0.148 4.759 7.024
208 HB3 HIS 31 2HB HIS 31 -0.335 4.353 5.320
209 HD1 HIS 31 HD1 HIS 31 1.444 3.360 8.318
210 HD2 HIS 31 HD2 HIS 31 2.074 3.065 4.222
211 HE1 HIS 31 HE1 HIS 31 3.195 1.577 8.034
212 H GLN 32 H GLN 32 1.073 5.404 3.238
213 HA GLN 32 HA GLN 32 3.590 4.366 2.920
214 HB2 GLN 32 1HB GLN 32 1.947 6.001 0.987
215 HB3 GLN 32 2HB GLN 32 3.420 5.157 0.529
216 HG2 GLN 32 1HG GLN 32 2.371 3.036 1.273
217 HG3 GLN 32 2HG GLN 32 0.876 3.926 1.557
218 HE21 GLN 32 1HE2 GLN 32 -0.500 3.390 0.021
219 HE22 GLN 32 2HE2 GLN 32 -0.158 3.327 -1.672
220 H LYS 33 H LYS 33 2.719 7.638 3.497
221 HA LYS 33 HA LYS 33 4.870 9.011 2.365
222 HB2 LYS 33 1HB LYS 33 3.509 9.703 4.972
223 HB3 LYS 33 2HB LYS 33 4.347 10.805 3.888
224 HG2 LYS 33 1HG LYS 33 2.049 9.275 2.803
225 HG3 LYS 33 2HG LYS 33 1.716 10.601 3.920
226 HD2 LYS 33 1HD LYS 33 1.713 11.768 1.962
227 HD3 LYS 33 2HD LYS 33 3.436 11.861 2.337
228 HE2 LYS 33 1HE LYS 33 3.138 11.246 0.019
229 HE3 LYS 33 2HE LYS 33 3.822 9.887 0.910
230 HZ1 LYS 33 3HZ LYS 33 1.269 10.121 -0.421
231 HZ2 LYS 33 1HZ LYS 33 1.191 9.412 1.113
232 HZ3 LYS 33 2HZ LYS 33 2.190 8.744 -0.077
233 H ILE 34 H ILE 34 4.883 6.717 4.828
234 HA ILE 34 HA ILE 34 7.148 7.760 6.281
235 HB ILE 34 HB ILE 34 7.059 5.773 7.600
236 HG12 ILE 34 1HG1 ILE 34 5.013 4.624 5.702
237 HG13 ILE 34 2HG1 ILE 34 6.730 4.257 5.584
238 HG21 ILE 34 1HG2 ILE 34 4.474 5.667 8.018
239 HG22 ILE 34 2HG2 ILE 34 5.384 7.131 8.387
240 HG23 ILE 34 3HG2 ILE 34 4.449 7.027 6.895
241 HD11 ILE 34 3HD1 ILE 34 5.497 3.866 8.231
242 HD12 ILE 34 1HD1 ILE 34 4.986 2.764 6.953
243 HD13 ILE 34 2HD1 ILE 34 6.694 2.894 7.375
244 H HIS 35 H HIS 35 6.788 6.291 3.330
245 HA HIS 35 HA HIS 35 9.492 5.125 3.446
246 HB2 HIS 35 1HB HIS 35 7.356 4.415 1.435
247 HB3 HIS 35 2HB HIS 35 8.873 3.573 1.737
248 HD1 HIS 35 HD1 HIS 35 8.990 2.609 4.365
249 HD2 HIS 35 HD2 HIS 35 5.261 3.218 2.638
250 HE1 HIS 35 HE1 HIS 35 7.388 1.222 5.719
251 H THR 36 H THR 36 7.310 7.256 1.754
252 HA THR 36 HA THR 36 9.216 7.797 -0.367
253 HB THR 36 HB THR 36 7.491 9.520 -1.066
254 HG1 THR 36 HG1 THR 36 5.818 8.177 0.798
255 HG21 THR 36 3HG2 THR 36 6.411 6.717 -0.799
256 HG22 THR 36 1HG2 THR 36 7.652 7.178 -1.963
257 HG23 THR 36 2HG2 THR 36 6.045 7.897 -2.058
258 H GLY 37 H GLY 37 10.324 9.718 -0.676
259 HA2 GLY 37 1HA GLY 37 10.090 12.131 0.548
260 HA3 GLY 37 2HA GLY 37 10.960 11.168 1.733
261 H GLU 38 H GLU 38 12.856 9.884 0.682
262 HA GLU 38 HA GLU 38 14.670 11.817 -0.334
263 HB2 GLU 38 1HB GLU 38 16.303 10.057 -0.328
264 HB3 GLU 38 2HB GLU 38 15.312 9.890 1.114
265 HG2 GLU 38 1HG GLU 38 13.952 8.202 -0.237
266 HG3 GLU 38 2HG GLU 38 15.306 8.210 -1.365
267 H ARG 39 H ARG 39 15.791 11.798 -2.344
268 HA ARG 39 HA ARG 39 14.600 10.244 -4.512
269 HB2 ARG 39 1HB ARG 39 13.530 12.616 -4.180
270 HB3 ARG 39 2HB ARG 39 15.007 13.178 -4.949
271 HG2 ARG 39 1HG ARG 39 14.510 12.128 -6.961
272 HG3 ARG 39 2HG ARG 39 13.346 11.035 -6.211
273 HD2 ARG 39 1HD ARG 39 11.752 12.766 -5.949
274 HD3 ARG 39 2HD ARG 39 12.940 14.012 -6.329
275 HE ARG 39 HE ARG 39 12.540 12.155 -8.473
276 HH11 ARG 39 1HH1 ARG 39 11.317 15.035 -6.947
277 HH12 ARG 39 2HH1 ARG 39 10.547 15.626 -8.382
278 HH21 ARG 39 1HH2 ARG 39 11.530 12.923 -10.369
279 HH22 ARG 39 2HH2 ARG 39 10.668 14.423 -10.328
280 HA PRO 40 HA PRO 40 18.857 9.929 -5.643
281 HB2 PRO 40 1HB PRO 40 18.504 8.917 -8.137
282 HB3 PRO 40 2HB PRO 40 18.270 7.959 -6.670
283 HG2 PRO 40 1HG PRO 40 16.231 9.313 -8.394
284 HG3 PRO 40 2HG PRO 40 16.183 7.699 -7.662
285 HD2 PRO 40 1HD PRO 40 14.873 9.819 -6.602
286 HD3 PRO 40 2HD PRO 40 15.545 8.514 -5.603
287 H SER 41 H SER 41 16.674 11.174 -8.180
288 HA SER 41 HA SER 41 18.000 13.644 -8.438
289 HB2 SER 41 1HB SER 41 19.110 13.342 -10.601
290 HB3 SER 41 2HB SER 41 19.799 12.250 -9.399
291 HG SER 41 HG SER 41 18.817 11.601 -11.730
292 H GLY 42 H GLY 42 16.684 15.044 -9.453
293 HA2 GLY 42 1HA GLY 42 14.445 13.893 -11.000
294 HA3 GLY 42 2HA GLY 42 14.310 15.331 -9.998
295 HA PRO 43 HA PRO 43 15.327 16.336 -14.526
296 HB2 PRO 43 1HB PRO 43 12.909 17.349 -15.231
297 HB3 PRO 43 2HB PRO 43 13.330 15.644 -15.427
298 HG2 PRO 43 1HG PRO 43 11.743 16.967 -13.260
299 HG3 PRO 43 2HG PRO 43 11.425 15.442 -14.109
300 HD2 PRO 43 1HD PRO 43 12.531 15.532 -11.639
301 HD3 PRO 43 2HD PRO 43 12.927 14.264 -12.817
302 H SER 44 H SER 44 14.246 17.816 -11.688
303 HA SER 44 HA SER 44 13.712 20.417 -12.205
304 HB2 SER 44 1HB SER 44 13.793 19.716 -9.932
305 HB3 SER 44 2HB SER 44 15.487 19.243 -10.063
306 HG SER 44 HG SER 44 14.444 21.881 -10.179
307 H SER 45 H SER 45 16.929 18.935 -12.227
308 HA SER 45 HA SER 45 17.890 21.232 -13.787
309 HB2 SER 45 1HB SER 45 19.369 19.904 -11.503
310 HB3 SER 45 2HB SER 45 20.054 21.122 -12.579
311 HG SER 45 HG SER 45 18.876 22.643 -11.641
312 H GLY 46 H GLY 46 20.136 20.667 -14.756
313 HA2 GLY 46 1HA GLY 46 19.799 18.493 -16.501
314 HA3 GLY 46 2HA GLY 46 21.295 19.384 -16.264
Start of MODEL 3
1 H1 GLY 1 H GLY 1 9.212 -14.269 -16.752
2 HA2 GLY 1 1HA GLY 1 10.088 -16.970 -17.531
3 HA3 GLY 1 2HA GLY 1 10.929 -15.913 -16.407
4 H SER 2 H SER 2 10.146 -15.696 -14.275
5 HA SER 2 HA SER 2 8.569 -18.008 -13.408
6 HB2 SER 2 1HB SER 2 9.484 -17.542 -11.167
7 HB3 SER 2 2HB SER 2 10.769 -17.729 -12.360
8 HG SER 2 HG SER 2 9.714 -15.232 -11.519
9 H SER 3 H SER 3 6.531 -17.116 -14.013
10 HA SER 3 HA SER 3 5.585 -15.025 -12.162
11 HB2 SER 3 1HB SER 3 3.941 -14.392 -13.941
12 HB3 SER 3 2HB SER 3 5.620 -14.099 -14.395
13 HG SER 3 HG SER 3 5.574 -15.942 -15.658
14 H GLY 4 H GLY 4 4.983 -16.694 -10.683
15 HA2 GLY 4 1HA GLY 4 2.373 -17.845 -11.346
16 HA3 GLY 4 2HA GLY 4 3.639 -18.946 -10.822
17 H SER 5 H SER 5 4.778 -18.115 -8.727
18 HA SER 5 HA SER 5 3.061 -18.367 -6.611
19 HB2 SER 5 1HB SER 5 5.525 -18.538 -6.440
20 HB3 SER 5 2HB SER 5 5.645 -16.786 -6.598
21 HG SER 5 HG SER 5 4.334 -16.662 -4.675
22 H SER 6 H SER 6 1.814 -17.061 -5.373
23 HA SER 6 HA SER 6 1.891 -14.172 -5.813
24 HB2 SER 6 1HB SER 6 0.209 -14.933 -7.393
25 HB3 SER 6 2HB SER 6 -0.597 -15.868 -6.134
26 HG SER 6 HG SER 6 -0.896 -13.800 -5.040
27 H GLY 7 H GLY 7 0.613 -12.974 -4.193
28 HA2 GLY 7 1HA GLY 7 -0.177 -14.424 -1.807
29 HA3 GLY 7 2HA GLY 7 1.256 -13.422 -1.626
30 H THR 8 H THR 8 -1.826 -12.938 -3.343
31 HA THR 8 HA THR 8 -2.003 -10.269 -2.177
32 HB THR 8 HB THR 8 -2.405 -10.280 -4.520
33 HG1 THR 8 HG1 THR 8 -3.921 -9.063 -3.167
34 HG21 THR 8 3HG2 THR 8 -4.353 -11.649 -5.439
35 HG22 THR 8 1HG2 THR 8 -4.271 -12.568 -3.936
36 HG23 THR 8 2HG2 THR 8 -2.884 -12.532 -5.026
37 H GLY 9 H GLY 9 -3.357 -13.404 -1.798
38 HA2 GLY 9 1HA GLY 9 -5.179 -14.192 -0.612
39 HA3 GLY 9 2HA GLY 9 -4.590 -13.048 0.585
40 H GLU 10 H GLU 10 -6.448 -12.252 1.404
41 HA GLU 10 HA GLU 10 -8.201 -10.819 -0.473
42 HB2 GLU 10 1HB GLU 10 -9.359 -12.855 0.160
43 HB3 GLU 10 2HB GLU 10 -9.071 -12.527 1.863
44 HG2 GLU 10 1HG GLU 10 -11.357 -12.005 1.242
45 HG3 GLU 10 2HG GLU 10 -10.487 -10.554 1.740
46 H ASN 11 H ASN 11 -7.663 -8.759 -0.036
47 HA ASN 11 HA ASN 11 -8.293 -7.724 2.596
48 HB2 ASN 11 1HB ASN 11 -5.516 -7.665 1.439
49 HB3 ASN 11 2HB ASN 11 -6.056 -6.424 2.565
50 HD21 ASN 11 1HD2 ASN 11 -5.072 -9.692 2.169
51 HD22 ASN 11 2HD2 ASN 11 -5.056 -10.119 3.843
52 HA PRO 12 HA PRO 12 -9.681 -4.245 0.309
53 HB2 PRO 12 1HB PRO 12 -9.273 -2.229 2.080
54 HB3 PRO 12 2HB PRO 12 -10.548 -3.437 2.278
55 HG2 PRO 12 1HG PRO 12 -7.848 -3.304 3.564
56 HG3 PRO 12 2HG PRO 12 -9.414 -3.712 4.289
57 HD2 PRO 12 1HD PRO 12 -7.605 -5.596 3.575
58 HD3 PRO 12 2HD PRO 12 -9.357 -5.878 3.503
59 H PHE 13 H PHE 13 -6.657 -3.509 2.059
60 HA PHE 13 HA PHE 13 -5.396 -2.664 -0.401
61 HB2 PHE 13 1HB PHE 13 -5.577 -0.673 1.861
62 HB3 PHE 13 2HB PHE 13 -4.918 -0.414 0.249
63 HD1 PHE 13 HD2 PHE 13 -6.602 -0.742 -1.719
64 HD2 PHE 13 HD1 PHE 13 -7.731 -0.007 2.319
65 HE1 PHE 13 HE2 PHE 13 -8.794 0.072 -2.484
66 HE2 PHE 13 HE1 PHE 13 -9.926 0.808 1.560
67 HZ PHE 13 HZ PHE 13 -10.459 0.850 -0.844
68 H ILE 14 H ILE 14 -3.209 -2.878 -0.340
69 HA ILE 14 HA ILE 14 -1.989 -3.498 2.269
70 HB ILE 14 HB ILE 14 -1.680 -4.964 -0.338
71 HG12 ILE 14 1HG1 ILE 14 -3.414 -5.699 1.288
72 HG13 ILE 14 2HG1 ILE 14 -2.174 -6.917 1.010
73 HG21 ILE 14 1HG2 ILE 14 0.139 -6.236 1.021
74 HG22 ILE 14 2HG2 ILE 14 0.556 -4.743 0.181
75 HG23 ILE 14 3HG2 ILE 14 0.259 -4.724 1.919
76 HD11 ILE 14 3HD1 ILE 14 -2.937 -5.552 3.453
77 HD12 ILE 14 1HD1 ILE 14 -2.057 -7.062 3.222
78 HD13 ILE 14 2HD1 ILE 14 -1.198 -5.523 3.162
79 H CYS 15 H CYS 15 0.064 -2.740 2.632
80 HA CYS 15 HA CYS 15 0.989 -0.687 0.776
81 HB2 CYS 15 1HB CYS 15 0.708 -0.325 3.298
82 HB3 CYS 15 2HB CYS 15 2.161 -1.303 3.484
83 H SER 16 H SER 16 1.798 -2.144 -0.829
84 HA SER 16 HA SER 16 3.499 -4.228 -0.640
85 HB2 SER 16 1HB SER 16 2.685 -3.194 -2.771
86 HB3 SER 16 2HB SER 16 3.922 -1.950 -2.589
87 HG SER 16 HG SER 16 5.248 -3.301 -3.474
88 H GLU 17 H GLU 17 4.201 -0.953 0.220
89 HA GLU 17 HA GLU 17 7.023 -1.070 0.141
90 HB2 GLU 17 1HB GLU 17 5.013 0.688 1.480
91 HB3 GLU 17 2HB GLU 17 6.693 0.788 1.988
92 HG2 GLU 17 1HG GLU 17 6.298 2.464 0.340
93 HG3 GLU 17 2HG GLU 17 7.328 1.220 -0.367
94 H CYS 18 H CYS 18 4.905 -1.109 3.013
95 HA CYS 18 HA CYS 18 7.002 -2.563 4.458
96 HB2 CYS 18 1HB CYS 18 5.875 -1.879 6.491
97 HB3 CYS 18 2HB CYS 18 6.117 -0.471 5.463
98 H GLY 19 H GLY 19 3.511 -2.673 3.800
99 HA2 GLY 19 1HA GLY 19 2.562 -4.835 3.166
100 HA3 GLY 19 2HA GLY 19 3.613 -5.570 4.368
101 H LYS 20 H LYS 20 1.656 -2.650 4.732
102 HA LYS 20 HA LYS 20 0.247 -3.978 6.944
103 HB2 LYS 20 1HB LYS 20 1.632 -1.727 7.125
104 HB3 LYS 20 2HB LYS 20 0.134 -1.024 6.530
105 HG2 LYS 20 1HG LYS 20 -1.084 -1.904 8.408
106 HG3 LYS 20 2HG LYS 20 0.346 -2.770 8.973
107 HD2 LYS 20 1HD LYS 20 1.447 -0.425 9.015
108 HD3 LYS 20 2HD LYS 20 -0.213 0.173 8.986
109 HE2 LYS 20 1HE LYS 20 -0.699 -1.198 10.985
110 HE3 LYS 20 2HE LYS 20 0.994 -1.687 11.031
111 HZ1 LYS 20 3HZ LYS 20 0.554 1.170 10.935
112 HZ2 LYS 20 1HZ LYS 20 1.618 0.268 11.893
113 HZ3 LYS 20 2HZ LYS 20 -0.005 0.420 12.345
114 H VAL 21 H VAL 21 -2.003 -3.772 7.165
115 HA VAL 21 HA VAL 21 -3.392 -3.150 4.645
116 HB VAL 21 HB VAL 21 -3.655 -5.468 5.325
117 HG11 VAL 21 1HG1 VAL 21 -4.641 -6.128 7.404
118 HG12 VAL 21 2HG1 VAL 21 -3.284 -5.055 7.758
119 HG13 VAL 21 3HG1 VAL 21 -4.938 -4.449 7.854
120 HG21 VAL 21 3HG2 VAL 21 -6.164 -5.517 5.525
121 HG22 VAL 21 1HG2 VAL 21 -6.112 -3.758 5.646
122 HG23 VAL 21 2HG2 VAL 21 -5.533 -4.559 4.185
123 H PHE 22 H PHE 22 -4.885 -1.586 4.582
124 HA PHE 22 HA PHE 22 -5.765 -0.414 7.139
125 HB2 PHE 22 1HB PHE 22 -5.317 1.090 4.554
126 HB3 PHE 22 2HB PHE 22 -5.742 1.780 6.117
127 HD1 PHE 22 HD2 PHE 22 -3.078 -0.095 4.345
128 HD2 PHE 22 HD1 PHE 22 -4.086 2.432 7.617
129 HE1 PHE 22 HE2 PHE 22 -0.689 0.169 4.871
130 HE2 PHE 22 HE1 PHE 22 -1.699 2.702 8.149
131 HZ PHE 22 HZ PHE 22 0.003 1.569 6.776
132 H THR 23 H THR 23 -7.874 0.517 7.173
133 HA THR 23 HA THR 23 -9.770 -0.980 5.610
134 HB THR 23 HB THR 23 -10.452 1.285 7.476
135 HG1 THR 23 HG1 THR 23 -10.329 -0.166 9.166
136 HG21 THR 23 3HG2 THR 23 -12.505 0.670 6.823
137 HG22 THR 23 1HG2 THR 23 -12.255 -0.780 7.795
138 HG23 THR 23 2HG2 THR 23 -11.910 -0.806 6.065
139 H HIS 24 H HIS 24 -8.789 2.413 5.872
140 HA HIS 24 HA HIS 24 -10.301 2.959 3.401
141 HB2 HIS 24 1HB HIS 24 -10.850 4.154 5.705
142 HB3 HIS 24 2HB HIS 24 -9.499 5.178 5.229
143 HD1 HIS 24 HD1 HIS 24 -9.832 6.680 3.135
144 HD2 HIS 24 HD2 HIS 24 -13.191 4.497 4.234
145 HE1 HIS 24 HE1 HIS 24 -11.742 7.695 1.852
146 H LYS 25 H LYS 25 -9.141 3.483 1.674
147 HA LYS 25 HA LYS 25 -6.464 3.339 1.380
148 HB2 LYS 25 1HB LYS 25 -8.567 4.862 -0.071
149 HB3 LYS 25 2HB LYS 25 -6.892 5.249 -0.444
150 HG2 LYS 25 1HG LYS 25 -6.571 2.744 -0.799
151 HG3 LYS 25 2HG LYS 25 -8.333 2.644 -0.801
152 HD2 LYS 25 1HD LYS 25 -6.933 4.618 -2.562
153 HD3 LYS 25 2HD LYS 25 -7.062 2.927 -3.051
154 HE2 LYS 25 1HE LYS 25 -9.517 4.321 -2.111
155 HE3 LYS 25 2HE LYS 25 -8.897 4.711 -3.715
156 HZ1 LYS 25 3HZ LYS 25 -10.496 2.940 -3.862
157 HZ2 LYS 25 1HZ LYS 25 -9.648 2.012 -2.729
158 HZ3 LYS 25 2HZ LYS 25 -8.965 2.331 -4.243
159 H THR 26 H THR 26 -8.218 6.367 2.049
160 HA THR 26 HA THR 26 -6.290 8.231 2.092
161 HB THR 26 HB THR 26 -8.759 8.367 2.929
162 HG1 THR 26 HG1 THR 26 -7.573 10.234 2.692
163 HG21 THR 26 3HG2 THR 26 -7.317 8.194 5.574
164 HG22 THR 26 1HG2 THR 26 -8.325 6.908 4.912
165 HG23 THR 26 2HG2 THR 26 -9.038 8.470 5.313
166 H ASN 27 H ASN 27 -6.791 5.810 4.627
167 HA ASN 27 HA ASN 27 -4.775 6.771 6.366
168 HB2 ASN 27 1HB ASN 27 -6.360 4.256 6.121
169 HB3 ASN 27 2HB ASN 27 -4.907 4.221 7.116
170 HD21 ASN 27 1HD2 ASN 27 -4.740 6.011 8.731
171 HD22 ASN 27 2HD2 ASN 27 -6.188 6.464 9.558
172 H LEU 28 H LEU 28 -4.784 4.400 3.754
173 HA LEU 28 HA LEU 28 -2.100 3.529 4.195
174 HB2 LEU 28 1HB LEU 28 -3.437 1.982 3.089
175 HB3 LEU 28 2HB LEU 28 -4.097 3.194 1.993
176 HG LEU 28 HG LEU 28 -1.648 3.288 1.084
177 HD11 LEU 28 1HD1 LEU 28 -0.391 1.947 2.452
178 HD12 LEU 28 2HD1 LEU 28 -0.825 0.800 1.185
179 HD13 LEU 28 3HD1 LEU 28 -1.701 0.796 2.716
180 HD21 LEU 28 3HD2 LEU 28 -3.670 1.126 0.554
181 HD22 LEU 28 1HD2 LEU 28 -2.216 1.331 -0.424
182 HD23 LEU 28 2HD2 LEU 28 -3.410 2.627 -0.336
183 H ILE 29 H ILE 29 -3.589 5.550 1.661
184 HA ILE 29 HA ILE 29 -1.332 6.271 0.269
185 HB ILE 29 HB ILE 29 -3.737 7.991 0.881
186 HG12 ILE 29 1HG1 ILE 29 -3.164 6.538 -1.688
187 HG13 ILE 29 2HG1 ILE 29 -3.952 5.715 -0.346
188 HG21 ILE 29 1HG2 ILE 29 -1.311 8.770 -0.259
189 HG22 ILE 29 2HG2 ILE 29 -2.422 8.569 -1.613
190 HG23 ILE 29 3HG2 ILE 29 -2.837 9.654 -0.285
191 HD11 ILE 29 3HD1 ILE 29 -5.572 7.752 -0.422
192 HD12 ILE 29 1HD1 ILE 29 -4.954 7.930 -2.064
193 HD13 ILE 29 2HD1 ILE 29 -5.746 6.430 -1.577
194 H ILE 30 H ILE 30 -2.622 7.732 3.223
195 HA ILE 30 HA ILE 30 -0.631 9.783 3.344
196 HB ILE 30 HB ILE 30 -2.443 8.750 5.529
197 HG12 ILE 30 1HG1 ILE 30 -2.821 11.269 3.925
198 HG13 ILE 30 2HG1 ILE 30 -3.471 9.729 3.373
199 HG21 ILE 30 1HG2 ILE 30 -1.235 11.481 5.458
200 HG22 ILE 30 2HG2 ILE 30 -1.838 10.557 6.833
201 HG23 ILE 30 3HG2 ILE 30 -0.304 10.120 6.081
202 HD11 ILE 30 3HD1 ILE 30 -4.212 10.078 6.088
203 HD12 ILE 30 1HD1 ILE 30 -4.589 11.561 5.210
204 HD13 ILE 30 2HD1 ILE 30 -5.242 10.018 4.657
205 H HIS 31 H HIS 31 -1.000 6.565 4.710
206 HA HIS 31 HA HIS 31 1.173 6.735 6.530
207 HB2 HIS 31 1HB HIS 31 -0.229 4.997 7.090
208 HB3 HIS 31 2HB HIS 31 -0.511 4.541 5.413
209 HD1 HIS 31 HD1 HIS 31 1.635 3.817 8.329
210 HD2 HIS 31 HD2 HIS 31 1.536 2.901 4.278
211 HE1 HIS 31 HE1 HIS 31 3.242 1.906 8.032
212 H GLN 32 H GLN 32 0.909 5.994 3.138
213 HA GLN 32 HA GLN 32 3.370 4.680 2.779
214 HB2 GLN 32 1HB GLN 32 1.642 6.299 0.915
215 HB3 GLN 32 2HB GLN 32 3.131 5.528 0.384
216 HG2 GLN 32 1HG GLN 32 2.229 3.350 1.060
217 HG3 GLN 32 2HG GLN 32 0.727 4.137 1.544
218 HE21 GLN 32 1HE2 GLN 32 1.089 2.068 -0.421
219 HE22 GLN 32 2HE2 GLN 32 0.536 2.706 -1.928
220 H LYS 33 H LYS 33 2.617 7.956 3.416
221 HA LYS 33 HA LYS 33 4.735 9.291 2.177
222 HB2 LYS 33 1HB LYS 33 3.305 9.903 4.768
223 HB3 LYS 33 2HB LYS 33 4.414 11.009 3.969
224 HG2 LYS 33 1HG LYS 33 2.829 10.669 1.925
225 HG3 LYS 33 2HG LYS 33 1.676 10.157 3.160
226 HD2 LYS 33 1HD LYS 33 2.168 12.311 4.362
227 HD3 LYS 33 2HD LYS 33 3.081 12.814 2.938
228 HE2 LYS 33 1HE LYS 33 1.012 12.417 1.584
229 HE3 LYS 33 2HE LYS 33 0.144 12.156 3.096
230 HZ1 LYS 33 3HZ LYS 33 1.498 14.648 2.223
231 HZ2 LYS 33 1HZ LYS 33 0.862 14.414 3.773
232 HZ3 LYS 33 2HZ LYS 33 -0.164 14.407 2.429
233 H ILE 34 H ILE 34 4.734 7.110 4.809
234 HA ILE 34 HA ILE 34 7.205 8.054 5.971
235 HB ILE 34 HB ILE 34 6.987 6.374 7.575
236 HG12 ILE 34 1HG1 ILE 34 5.179 4.919 5.634
237 HG13 ILE 34 2HG1 ILE 34 6.819 4.460 6.078
238 HG21 ILE 34 1HG2 ILE 34 4.432 6.291 8.028
239 HG22 ILE 34 2HG2 ILE 34 5.271 7.841 8.071
240 HG23 ILE 34 3HG2 ILE 34 4.332 7.386 6.650
241 HD11 ILE 34 3HD1 ILE 34 5.671 4.503 8.506
242 HD12 ILE 34 1HD1 ILE 34 4.284 4.061 7.510
243 HD13 ILE 34 2HD1 ILE 34 5.745 3.073 7.477
244 H HIS 35 H HIS 35 6.473 6.399 3.212
245 HA HIS 35 HA HIS 35 8.994 4.876 3.275
246 HB2 HIS 35 1HB HIS 35 6.548 4.434 1.551
247 HB3 HIS 35 2HB HIS 35 8.030 3.486 1.477
248 HD1 HIS 35 HD1 HIS 35 8.603 2.722 4.266
249 HD2 HIS 35 HD2 HIS 35 4.712 2.929 2.825
250 HE1 HIS 35 HE1 HIS 35 7.242 1.260 5.794
251 H THR 36 H THR 36 7.507 7.601 2.023
252 HA THR 36 HA THR 36 8.839 7.625 -0.537
253 HB THR 36 HB THR 36 7.949 9.913 -0.755
254 HG1 THR 36 HG1 THR 36 7.389 9.496 1.964
255 HG21 THR 36 3HG2 THR 36 5.627 9.332 -0.880
256 HG22 THR 36 1HG2 THR 36 5.831 8.042 0.304
257 HG23 THR 36 2HG2 THR 36 6.563 7.896 -1.294
258 H GLY 37 H GLY 37 9.253 9.178 2.617
259 HA2 GLY 37 1HA GLY 37 11.330 9.796 3.535
260 HA3 GLY 37 2HA GLY 37 12.039 9.718 1.929
261 H GLU 38 H GLU 38 10.288 11.684 4.208
262 HA GLU 38 HA GLU 38 9.929 13.921 2.469
263 HB2 GLU 38 1HB GLU 38 8.715 13.299 4.708
264 HB3 GLU 38 2HB GLU 38 10.039 14.186 5.450
265 HG2 GLU 38 1HG GLU 38 9.415 16.197 4.438
266 HG3 GLU 38 2HG GLU 38 8.384 15.385 3.260
267 H ARG 39 H ARG 39 11.149 15.748 2.230
268 HA ARG 39 HA ARG 39 13.930 15.553 2.572
269 HB2 ARG 39 1HB ARG 39 14.003 17.892 1.843
270 HB3 ARG 39 2HB ARG 39 12.913 16.945 0.839
271 HG2 ARG 39 1HG ARG 39 10.996 17.857 1.986
272 HG3 ARG 39 2HG ARG 39 12.048 18.730 3.103
273 HD2 ARG 39 1HD ARG 39 12.726 20.243 1.484
274 HD3 ARG 39 2HD ARG 39 12.304 19.162 0.156
275 HE ARG 39 HE ARG 39 9.927 19.749 1.397
276 HH11 ARG 39 1HH1 ARG 39 12.478 21.567 -0.123
277 HH12 ARG 39 2HH1 ARG 39 11.432 22.845 -0.647
278 HH21 ARG 39 1HH2 ARG 39 8.540 21.426 0.713
279 HH22 ARG 39 2HH2 ARG 39 9.193 22.764 -0.170
280 HA PRO 40 HA PRO 40 14.571 16.850 6.726
281 HB2 PRO 40 1HB PRO 40 17.091 17.836 6.506
282 HB3 PRO 40 2HB PRO 40 16.730 16.106 6.471
283 HG2 PRO 40 1HG PRO 40 17.246 17.980 4.194
284 HG3 PRO 40 2HG PRO 40 17.844 16.329 4.442
285 HD2 PRO 40 1HD PRO 40 15.762 16.894 2.804
286 HD3 PRO 40 2HD PRO 40 15.878 15.373 3.712
287 H SER 41 H SER 41 15.555 18.840 7.924
288 HA SER 41 HA SER 41 13.953 21.013 7.654
289 HB2 SER 41 1HB SER 41 16.846 21.094 8.544
290 HB3 SER 41 2HB SER 41 15.615 22.299 8.922
291 HG SER 41 HG SER 41 16.158 20.013 10.193
292 H GLY 42 H GLY 42 14.515 23.278 7.005
293 HA2 GLY 42 1HA GLY 42 15.440 23.241 4.253
294 HA3 GLY 42 2HA GLY 42 14.680 24.591 5.082
295 HA PRO 43 HA PRO 43 18.683 26.443 5.119
296 HB2 PRO 43 1HB PRO 43 18.138 28.455 6.858
297 HB3 PRO 43 2HB PRO 43 17.575 28.455 5.182
298 HG2 PRO 43 1HG PRO 43 16.096 27.712 7.676
299 HG3 PRO 43 2HG PRO 43 15.543 28.671 6.291
300 HD2 PRO 43 1HD PRO 43 14.885 26.064 6.614
301 HD3 PRO 43 2HD PRO 43 15.101 26.804 5.014
302 H SER 44 H SER 44 17.058 26.137 8.283
303 HA SER 44 HA SER 44 19.145 24.589 9.414
304 HB2 SER 44 1HB SER 44 20.135 26.159 10.935
305 HB3 SER 44 2HB SER 44 20.234 26.864 9.322
306 HG SER 44 HG SER 44 18.086 27.851 10.027
307 H SER 45 H SER 45 18.387 23.511 11.139
308 HA SER 45 HA SER 45 15.982 24.560 12.477
309 HB2 SER 45 1HB SER 45 16.479 21.866 11.281
310 HB3 SER 45 2HB SER 45 15.485 21.972 12.734
311 HG SER 45 HG SER 45 14.164 23.478 11.599
312 H GLY 46 H GLY 46 18.630 22.191 12.739
313 HA2 GLY 46 1HA GLY 46 19.457 23.105 15.280
314 HA3 GLY 46 2HA GLY 46 18.420 21.701 15.481
Start of MODEL 4
1 H1 GLY 1 H GLY 1 10.549 -22.742 -6.389
2 HA2 GLY 1 1HA GLY 1 10.009 -20.792 -8.249
3 HA3 GLY 1 2HA GLY 1 9.659 -22.304 -9.073
4 H SER 2 H SER 2 7.456 -21.787 -9.234
5 HA SER 2 HA SER 2 5.927 -22.500 -6.883
6 HB2 SER 2 1HB SER 2 5.917 -19.740 -8.042
7 HB3 SER 2 2HB SER 2 4.413 -20.403 -7.403
8 HG SER 2 HG SER 2 5.156 -20.169 -5.451
9 H SER 3 H SER 3 4.223 -23.698 -7.443
10 HA SER 3 HA SER 3 3.773 -24.597 -10.015
11 HB2 SER 3 1HB SER 3 2.118 -24.604 -7.518
12 HB3 SER 3 2HB SER 3 1.398 -25.157 -9.031
13 HG SER 3 HG SER 3 3.834 -26.146 -7.961
14 H GLY 4 H GLY 4 1.645 -22.354 -8.223
15 HA2 GLY 4 1HA GLY 4 1.360 -20.525 -10.345
16 HA3 GLY 4 2HA GLY 4 0.030 -21.673 -10.410
17 H SER 5 H SER 5 0.393 -18.700 -9.664
18 HA SER 5 HA SER 5 -1.154 -18.845 -7.159
19 HB2 SER 5 1HB SER 5 -0.173 -16.778 -6.428
20 HB3 SER 5 2HB SER 5 1.146 -17.843 -6.913
21 HG SER 5 HG SER 5 1.511 -15.840 -7.816
22 H SER 6 H SER 6 -3.211 -18.421 -7.589
23 HA SER 6 HA SER 6 -3.940 -15.984 -8.944
24 HB2 SER 6 1HB SER 6 -5.292 -17.003 -10.682
25 HB3 SER 6 2HB SER 6 -3.638 -17.597 -10.823
26 HG SER 6 HG SER 6 -5.621 -19.001 -9.378
27 H GLY 7 H GLY 7 -5.747 -15.162 -8.077
28 HA2 GLY 7 1HA GLY 7 -8.101 -16.284 -7.405
29 HA3 GLY 7 2HA GLY 7 -7.098 -16.692 -6.021
30 H THR 8 H THR 8 -9.334 -15.186 -5.645
31 HA THR 8 HA THR 8 -9.006 -12.406 -5.807
32 HB THR 8 HB THR 8 -10.571 -13.887 -3.688
33 HG1 THR 8 HG1 THR 8 -11.006 -13.510 -6.414
34 HG21 THR 8 3HG2 THR 8 -10.648 -11.087 -4.778
35 HG22 THR 8 1HG2 THR 8 -10.519 -11.613 -3.100
36 HG23 THR 8 2HG2 THR 8 -12.041 -11.806 -3.971
37 H GLY 9 H GLY 9 -7.800 -11.007 -4.693
38 HA2 GLY 9 1HA GLY 9 -5.783 -11.750 -2.945
39 HA3 GLY 9 2HA GLY 9 -6.437 -10.123 -3.070
40 H GLU 10 H GLU 10 -9.012 -10.499 -2.147
41 HA GLU 10 HA GLU 10 -10.282 -10.768 -0.267
42 HB2 GLU 10 1HB GLU 10 -9.020 -13.065 -0.265
43 HB3 GLU 10 2HB GLU 10 -8.126 -12.357 1.073
44 HG2 GLU 10 1HG GLU 10 -9.960 -12.308 2.456
45 HG3 GLU 10 2HG GLU 10 -11.104 -12.304 1.115
46 H ASN 11 H ASN 11 -8.618 -8.543 -0.614
47 HA ASN 11 HA ASN 11 -8.414 -7.651 2.127
48 HB2 ASN 11 1HB ASN 11 -6.007 -7.980 0.359
49 HB3 ASN 11 2HB ASN 11 -6.045 -6.720 1.589
50 HD21 ASN 11 1HD2 ASN 11 -6.362 -7.374 3.800
51 HD22 ASN 11 2HD2 ASN 11 -5.814 -8.928 4.318
52 HA PRO 12 HA PRO 12 -9.823 -3.936 0.232
53 HB2 PRO 12 1HB PRO 12 -9.212 -2.185 2.214
54 HB3 PRO 12 2HB PRO 12 -10.557 -3.327 2.322
55 HG2 PRO 12 1HG PRO 12 -7.807 -3.523 3.488
56 HG3 PRO 12 2HG PRO 12 -9.368 -3.919 4.231
57 HD2 PRO 12 1HD PRO 12 -7.720 -5.809 3.209
58 HD3 PRO 12 2HD PRO 12 -9.487 -5.970 3.185
59 H PHE 13 H PHE 13 -6.707 -3.569 1.940
60 HA PHE 13 HA PHE 13 -5.389 -2.657 -0.434
61 HB2 PHE 13 1HB PHE 13 -5.534 -0.631 1.787
62 HB3 PHE 13 2HB PHE 13 -4.979 -0.406 0.132
63 HD1 PHE 13 HD2 PHE 13 -6.594 -0.234 -1.705
64 HD2 PHE 13 HD1 PHE 13 -7.846 -0.500 2.354
65 HE1 PHE 13 HE2 PHE 13 -8.831 0.563 -2.347
66 HE2 PHE 13 HE1 PHE 13 -10.086 0.296 1.719
67 HZ PHE 13 HZ PHE 13 -10.581 0.830 -0.634
68 H ILE 14 H ILE 14 -3.122 -2.472 -0.178
69 HA ILE 14 HA ILE 14 -2.001 -3.100 2.441
70 HB ILE 14 HB ILE 14 -1.444 -4.803 0.009
71 HG12 ILE 14 1HG1 ILE 14 -2.659 -5.689 2.621
72 HG13 ILE 14 2HG1 ILE 14 -3.648 -5.141 1.273
73 HG21 ILE 14 1HG2 ILE 14 -0.013 -6.109 1.477
74 HG22 ILE 14 2HG2 ILE 14 0.534 -4.434 1.408
75 HG23 ILE 14 3HG2 ILE 14 -0.359 -5.012 2.814
76 HD11 ILE 14 3HD1 ILE 14 -2.633 -6.913 -0.124
77 HD12 ILE 14 1HD1 ILE 14 -1.783 -7.499 1.306
78 HD13 ILE 14 2HD1 ILE 14 -3.546 -7.529 1.253
79 H CYS 15 H CYS 15 0.030 -2.306 2.753
80 HA CYS 15 HA CYS 15 0.999 -0.411 0.816
81 HB2 CYS 15 1HB CYS 15 1.036 0.004 3.280
82 HB3 CYS 15 2HB CYS 15 2.261 -1.251 3.432
83 H SER 16 H SER 16 2.206 -1.000 -0.852
84 HA SER 16 HA SER 16 3.468 -3.486 -1.135
85 HB2 SER 16 1HB SER 16 4.552 -2.500 -3.120
86 HB3 SER 16 2HB SER 16 2.835 -2.103 -3.059
87 HG SER 16 HG SER 16 4.400 -0.340 -3.530
88 H GLU 17 H GLU 17 4.496 -0.571 0.390
89 HA GLU 17 HA GLU 17 7.301 -1.013 0.263
90 HB2 GLU 17 1HB GLU 17 5.745 0.578 2.309
91 HB3 GLU 17 2HB GLU 17 7.465 0.712 1.971
92 HG2 GLU 17 1HG GLU 17 5.416 1.218 -0.153
93 HG3 GLU 17 2HG GLU 17 5.891 2.473 0.990
94 H CYS 18 H CYS 18 5.111 -1.245 3.073
95 HA CYS 18 HA CYS 18 6.958 -3.190 4.261
96 HB2 CYS 18 1HB CYS 18 5.549 -2.739 6.349
97 HB3 CYS 18 2HB CYS 18 6.571 -1.424 5.777
98 H GLY 19 H GLY 19 3.448 -2.661 3.894
99 HA2 GLY 19 1HA GLY 19 2.169 -4.500 2.858
100 HA3 GLY 19 2HA GLY 19 3.140 -5.601 3.826
101 H LYS 20 H LYS 20 1.613 -2.566 4.823
102 HA LYS 20 HA LYS 20 0.221 -4.051 6.932
103 HB2 LYS 20 1HB LYS 20 1.734 -1.932 7.277
104 HB3 LYS 20 2HB LYS 20 0.290 -1.061 6.780
105 HG2 LYS 20 1HG LYS 20 -0.959 -2.196 8.597
106 HG3 LYS 20 2HG LYS 20 0.560 -2.920 9.132
107 HD2 LYS 20 1HD LYS 20 1.437 -0.879 9.813
108 HD3 LYS 20 2HD LYS 20 0.331 0.047 8.795
109 HE2 LYS 20 1HE LYS 20 -1.515 -0.943 10.308
110 HE3 LYS 20 2HE LYS 20 -0.194 -1.304 11.419
111 HZ1 LYS 20 3HZ LYS 20 -1.381 1.246 10.723
112 HZ2 LYS 20 1HZ LYS 20 0.307 1.249 10.832
113 HZ3 LYS 20 2HZ LYS 20 -0.625 0.757 12.155
114 H VAL 21 H VAL 21 -1.943 -4.214 7.023
115 HA VAL 21 HA VAL 21 -3.479 -3.298 4.750
116 HB VAL 21 HB VAL 21 -4.375 -4.855 7.179
117 HG11 VAL 21 1HG1 VAL 21 -6.130 -3.569 5.879
118 HG12 VAL 21 2HG1 VAL 21 -5.771 -4.641 4.524
119 HG13 VAL 21 3HG1 VAL 21 -6.390 -5.306 6.036
120 HG21 VAL 21 3HG2 VAL 21 -4.340 -6.784 5.577
121 HG22 VAL 21 1HG2 VAL 21 -3.476 -5.743 4.445
122 HG23 VAL 21 2HG2 VAL 21 -2.752 -6.145 6.001
123 H PHE 22 H PHE 22 -4.937 -1.681 4.706
124 HA PHE 22 HA PHE 22 -5.421 -0.224 7.222
125 HB2 PHE 22 1HB PHE 22 -5.021 0.852 4.427
126 HB3 PHE 22 2HB PHE 22 -5.652 1.822 5.754
127 HD1 PHE 22 HD2 PHE 22 -2.721 -0.185 4.694
128 HD2 PHE 22 HD1 PHE 22 -4.209 2.874 7.251
129 HE1 PHE 22 HE2 PHE 22 -0.422 0.345 5.391
130 HE2 PHE 22 HE1 PHE 22 -1.913 3.410 7.952
131 HZ PHE 22 HZ PHE 22 -0.015 2.145 7.023
132 H THR 23 H THR 23 -7.473 0.707 7.522
133 HA THR 23 HA THR 23 -9.615 -0.781 6.304
134 HB THR 23 HB THR 23 -9.856 1.533 8.231
135 HG1 THR 23 HG1 THR 23 -10.040 -1.093 9.141
136 HG21 THR 23 3HG2 THR 23 -11.999 1.132 7.464
137 HG22 THR 23 1HG2 THR 23 -11.920 0.049 8.853
138 HG23 THR 23 2HG2 THR 23 -11.704 -0.590 7.223
139 H HIS 24 H HIS 24 -8.386 2.516 6.182
140 HA HIS 24 HA HIS 24 -10.360 3.116 4.077
141 HB2 HIS 24 1HB HIS 24 -10.172 4.486 6.348
142 HB3 HIS 24 2HB HIS 24 -8.890 5.308 5.464
143 HD1 HIS 24 HD1 HIS 24 -9.620 6.568 3.253
144 HD2 HIS 24 HD2 HIS 24 -12.735 5.188 5.632
145 HE1 HIS 24 HE1 HIS 24 -11.671 7.776 2.443
146 H LYS 25 H LYS 25 -9.541 3.148 2.102
147 HA LYS 25 HA LYS 25 -6.979 2.785 1.309
148 HB2 LYS 25 1HB LYS 25 -7.572 3.760 -0.843
149 HB3 LYS 25 2HB LYS 25 -8.904 2.794 -0.223
150 HG2 LYS 25 1HG LYS 25 -9.772 5.059 0.704
151 HG3 LYS 25 2HG LYS 25 -8.683 5.758 -0.497
152 HD2 LYS 25 1HD LYS 25 -9.798 4.461 -2.253
153 HD3 LYS 25 2HD LYS 25 -10.889 3.771 -1.049
154 HE2 LYS 25 1HE LYS 25 -10.655 6.739 -1.377
155 HE3 LYS 25 2HE LYS 25 -11.676 5.795 -2.462
156 HZ1 LYS 25 3HZ LYS 25 -12.757 4.893 -0.402
157 HZ2 LYS 25 1HZ LYS 25 -13.046 6.531 -0.711
158 HZ3 LYS 25 2HZ LYS 25 -11.929 6.078 0.476
159 H THR 26 H THR 26 -8.496 5.907 2.011
160 HA THR 26 HA THR 26 -6.406 7.582 1.244
161 HB THR 26 HB THR 26 -8.299 8.033 3.559
162 HG1 THR 26 HG1 THR 26 -9.030 7.592 1.181
163 HG21 THR 26 3HG2 THR 26 -6.926 10.058 1.795
164 HG22 THR 26 1HG2 THR 26 -6.317 9.565 3.374
165 HG23 THR 26 2HG2 THR 26 -7.883 10.367 3.244
166 H ASN 27 H ASN 27 -7.066 6.128 4.425
167 HA ASN 27 HA ASN 27 -4.993 7.237 5.871
168 HB2 ASN 27 1HB ASN 27 -6.758 5.852 6.874
169 HB3 ASN 27 2HB ASN 27 -6.082 4.422 6.098
170 HD21 ASN 27 1HD2 ASN 27 -6.320 4.090 8.626
171 HD22 ASN 27 2HD2 ASN 27 -4.839 4.298 9.491
172 H LEU 28 H LEU 28 -4.947 4.276 3.908
173 HA LEU 28 HA LEU 28 -2.311 3.516 4.427
174 HB2 LEU 28 1HB LEU 28 -3.668 1.932 3.376
175 HB3 LEU 28 2HB LEU 28 -4.165 3.061 2.118
176 HG LEU 28 HG LEU 28 -1.839 2.945 1.206
177 HD11 LEU 28 1HD1 LEU 28 -0.225 1.603 2.061
178 HD12 LEU 28 2HD1 LEU 28 -1.377 0.431 2.701
179 HD13 LEU 28 3HD1 LEU 28 -1.093 1.946 3.557
180 HD21 LEU 28 3HD2 LEU 28 -3.959 1.061 1.031
181 HD22 LEU 28 1HD2 LEU 28 -2.431 0.185 0.939
182 HD23 LEU 28 2HD2 LEU 28 -2.766 1.495 -0.193
183 H ILE 29 H ILE 29 -3.592 5.406 1.690
184 HA ILE 29 HA ILE 29 -1.239 5.918 0.354
185 HB ILE 29 HB ILE 29 -3.542 7.839 0.718
186 HG12 ILE 29 1HG1 ILE 29 -3.122 6.078 -1.672
187 HG13 ILE 29 2HG1 ILE 29 -3.895 5.423 -0.233
188 HG21 ILE 29 1HG2 ILE 29 -1.350 8.758 -0.174
189 HG22 ILE 29 2HG2 ILE 29 -1.614 7.732 -1.583
190 HG23 ILE 29 3HG2 ILE 29 -2.776 8.997 -1.184
191 HD11 ILE 29 3HD1 ILE 29 -5.772 6.687 -0.499
192 HD12 ILE 29 1HD1 ILE 29 -4.920 7.975 -1.350
193 HD13 ILE 29 2HD1 ILE 29 -5.299 6.467 -2.183
194 H ILE 30 H ILE 30 -2.604 7.652 3.121
195 HA ILE 30 HA ILE 30 -0.630 9.685 3.200
196 HB ILE 30 HB ILE 30 -2.386 8.654 5.431
197 HG12 ILE 30 1HG1 ILE 30 -2.781 11.095 3.696
198 HG13 ILE 30 2HG1 ILE 30 -3.536 9.541 3.357
199 HG21 ILE 30 1HG2 ILE 30 -1.977 10.975 6.355
200 HG22 ILE 30 2HG2 ILE 30 -0.618 9.855 6.432
201 HG23 ILE 30 3HG2 ILE 30 -0.661 11.104 5.188
202 HD11 ILE 30 3HD1 ILE 30 -3.935 10.551 6.082
203 HD12 ILE 30 1HD1 ILE 30 -4.675 11.510 4.801
204 HD13 ILE 30 2HD1 ILE 30 -5.073 9.800 4.965
205 H HIS 31 H HIS 31 -0.839 6.463 4.552
206 HA HIS 31 HA HIS 31 1.330 6.729 6.374
207 HB2 HIS 31 1HB HIS 31 0.039 4.924 6.956
208 HB3 HIS 31 2HB HIS 31 -0.290 4.482 5.283
209 HD1 HIS 31 HD1 HIS 31 1.805 3.617 8.138
210 HD2 HIS 31 HD2 HIS 31 1.948 3.099 4.018
211 HE1 HIS 31 HE1 HIS 31 3.508 1.808 7.746
212 H GLN 32 H GLN 32 1.077 5.155 3.184
213 HA GLN 32 HA GLN 32 3.568 4.225 2.772
214 HB2 GLN 32 1HB GLN 32 1.892 5.802 0.816
215 HB3 GLN 32 2HB GLN 32 3.315 4.874 0.362
216 HG2 GLN 32 1HG GLN 32 2.240 2.832 1.164
217 HG3 GLN 32 2HG GLN 32 0.812 3.763 1.610
218 HE21 GLN 32 1HE2 GLN 32 0.250 1.798 0.032
219 HE22 GLN 32 2HE2 GLN 32 0.012 2.290 -1.607
220 H LYS 33 H LYS 33 2.694 7.549 3.130
221 HA LYS 33 HA LYS 33 4.834 8.836 1.903
222 HB2 LYS 33 1HB LYS 33 3.338 9.607 4.415
223 HB3 LYS 33 2HB LYS 33 4.408 10.678 3.519
224 HG2 LYS 33 1HG LYS 33 2.814 10.030 1.520
225 HG3 LYS 33 2HG LYS 33 1.687 9.705 2.839
226 HD2 LYS 33 1HD LYS 33 2.322 12.029 3.706
227 HD3 LYS 33 2HD LYS 33 3.028 12.293 2.110
228 HE2 LYS 33 1HE LYS 33 0.852 11.776 1.086
229 HE3 LYS 33 2HE LYS 33 0.159 11.564 2.693
230 HZ1 LYS 33 3HZ LYS 33 1.519 14.088 2.120
231 HZ2 LYS 33 1HZ LYS 33 0.169 13.785 3.094
232 HZ3 LYS 33 2HZ LYS 33 0.003 13.839 1.411
233 H ILE 34 H ILE 34 4.565 7.571 5.209
234 HA ILE 34 HA ILE 34 6.903 8.423 6.327
235 HB ILE 34 HB ILE 34 6.852 6.548 7.791
236 HG12 ILE 34 1HG1 ILE 34 4.926 5.121 5.964
237 HG13 ILE 34 2HG1 ILE 34 6.666 4.889 5.838
238 HG21 ILE 34 1HG2 ILE 34 5.026 7.471 8.656
239 HG22 ILE 34 2HG2 ILE 34 4.445 7.943 7.059
240 HG23 ILE 34 3HG2 ILE 34 4.067 6.343 7.698
241 HD11 ILE 34 3HD1 ILE 34 6.608 3.405 7.469
242 HD12 ILE 34 1HD1 ILE 34 5.885 4.587 8.561
243 HD13 ILE 34 2HD1 ILE 34 4.855 3.582 7.540
244 H HIS 35 H HIS 35 6.509 6.098 3.780
245 HA HIS 35 HA HIS 35 9.160 5.007 3.988
246 HB2 HIS 35 1HB HIS 35 6.992 4.794 1.903
247 HB3 HIS 35 2HB HIS 35 8.574 4.048 1.696
248 HD1 HIS 35 HD1 HIS 35 9.192 2.137 3.432
249 HD2 HIS 35 HD2 HIS 35 5.235 3.400 3.489
250 HE1 HIS 35 HE1 HIS 35 7.937 0.357 4.689
251 H THR 36 H THR 36 7.559 7.482 2.063
252 HA THR 36 HA THR 36 10.076 8.062 0.676
253 HB THR 36 HB THR 36 8.035 7.846 -0.708
254 HG1 THR 36 HG1 THR 36 9.574 10.176 -0.577
255 HG21 THR 36 3HG2 THR 36 6.691 9.069 1.247
256 HG22 THR 36 1HG2 THR 36 6.148 9.094 -0.430
257 HG23 THR 36 2HG2 THR 36 7.026 10.473 0.234
258 H GLY 37 H GLY 37 11.098 10.041 0.802
259 HA2 GLY 37 1HA GLY 37 10.117 12.388 1.913
260 HA3 GLY 37 2HA GLY 37 10.816 11.471 3.239
261 H GLU 38 H GLU 38 13.073 10.960 3.171
262 HA GLU 38 HA GLU 38 14.648 13.111 2.166
263 HB2 GLU 38 1HB GLU 38 16.539 11.942 3.152
264 HB3 GLU 38 2HB GLU 38 15.181 11.943 4.268
265 HG2 GLU 38 1HG GLU 38 15.841 9.781 4.468
266 HG3 GLU 38 2HG GLU 38 14.691 9.615 3.143
267 H ARG 39 H ARG 39 16.473 12.928 0.727
268 HA ARG 39 HA ARG 39 17.365 12.457 -1.314
269 HB2 ARG 39 1HB ARG 39 16.729 9.698 -0.285
270 HB3 ARG 39 2HB ARG 39 17.523 9.951 -1.833
271 HG2 ARG 39 1HG ARG 39 18.660 11.253 0.588
272 HG3 ARG 39 2HG ARG 39 18.909 9.523 0.346
273 HD2 ARG 39 1HD ARG 39 19.593 10.303 -2.074
274 HD3 ARG 39 2HD ARG 39 19.898 11.833 -1.253
275 HE ARG 39 HE ARG 39 21.103 9.512 -0.019
276 HH11 ARG 39 1HH1 ARG 39 21.482 12.143 -2.267
277 HH12 ARG 39 2HH1 ARG 39 23.213 12.120 -2.203
278 HH21 ARG 39 1HH2 ARG 39 23.381 9.471 0.073
279 HH22 ARG 39 2HH2 ARG 39 24.292 10.599 -0.873
280 HA PRO 40 HA PRO 40 13.008 11.956 -3.071
281 HB2 PRO 40 1HB PRO 40 12.671 14.542 -3.828
282 HB3 PRO 40 2HB PRO 40 12.205 13.939 -2.233
283 HG2 PRO 40 1HG PRO 40 14.668 15.432 -3.047
284 HG3 PRO 40 2HG PRO 40 13.650 15.652 -1.612
285 HD2 PRO 40 1HD PRO 40 15.998 14.305 -1.541
286 HD3 PRO 40 2HD PRO 40 14.625 13.887 -0.496
287 H SER 41 H SER 41 12.387 13.166 -5.337
288 HA SER 41 HA SER 41 14.743 13.073 -7.085
289 HB2 SER 41 1HB SER 41 13.708 10.854 -7.188
290 HB3 SER 41 2HB SER 41 12.152 11.585 -7.582
291 HG SER 41 HG SER 41 13.995 10.839 -9.265
292 H GLY 42 H GLY 42 14.843 14.900 -8.199
293 HA2 GLY 42 1HA GLY 42 13.788 16.222 -9.979
294 HA3 GLY 42 2HA GLY 42 12.306 16.161 -9.038
295 HA PRO 43 HA PRO 43 14.338 20.214 -8.158
296 HB2 PRO 43 1HB PRO 43 12.034 21.646 -8.267
297 HB3 PRO 43 2HB PRO 43 13.000 21.271 -9.698
298 HG2 PRO 43 1HG PRO 43 10.531 19.924 -8.673
299 HG3 PRO 43 2HG PRO 43 10.958 20.361 -10.338
300 HD2 PRO 43 1HD PRO 43 11.226 17.843 -9.379
301 HD3 PRO 43 2HD PRO 43 12.315 18.518 -10.608
302 H SER 44 H SER 44 13.391 21.938 -6.516
303 HA SER 44 HA SER 44 11.979 20.639 -4.314
304 HB2 SER 44 1HB SER 44 14.239 20.182 -3.696
305 HB3 SER 44 2HB SER 44 14.755 21.814 -4.120
306 HG SER 44 HG SER 44 13.624 22.603 -2.362
307 H SER 45 H SER 45 10.320 21.953 -3.963
308 HA SER 45 HA SER 45 10.334 24.717 -4.639
309 HB2 SER 45 1HB SER 45 8.397 22.872 -3.290
310 HB3 SER 45 2HB SER 45 8.126 24.613 -3.212
311 HG SER 45 HG SER 45 8.642 23.323 -5.667
312 H GLY 46 H GLY 46 10.337 22.978 -1.533
313 HA2 GLY 46 1HA GLY 46 10.803 23.702 0.602
314 HA3 GLY 46 2HA GLY 46 12.096 24.596 -0.184
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -10.844 -22.998 -8.200
2 HA2 GLY 1 1HA GLY 1 -12.161 -21.713 -5.951
3 HA3 GLY 1 2HA GLY 1 -13.031 -23.068 -6.654
4 H SER 2 H SER 2 -10.070 -22.102 -5.021
5 HA SER 2 HA SER 2 -9.534 -24.926 -4.395
6 HB2 SER 2 1HB SER 2 -7.669 -22.552 -4.159
7 HB3 SER 2 2HB SER 2 -7.244 -24.243 -3.893
8 HG SER 2 HG SER 2 -8.216 -24.336 -6.222
9 H SER 3 H SER 3 -9.398 -25.625 -2.309
10 HA SER 3 HA SER 3 -10.421 -23.783 -0.278
11 HB2 SER 3 1HB SER 3 -11.527 -26.018 -0.690
12 HB3 SER 3 2HB SER 3 -10.074 -26.777 -0.041
13 HG SER 3 HG SER 3 -10.578 -25.150 1.790
14 H GLY 4 H GLY 4 -9.447 -23.599 1.785
15 HA2 GLY 4 1HA GLY 4 -7.587 -24.419 3.240
16 HA3 GLY 4 2HA GLY 4 -6.584 -24.334 1.799
17 H SER 5 H SER 5 -6.079 -22.257 0.916
18 HA SER 5 HA SER 5 -5.641 -20.291 2.963
19 HB2 SER 5 1HB SER 5 -5.059 -20.194 -0.007
20 HB3 SER 5 2HB SER 5 -4.481 -19.029 1.184
21 HG SER 5 HG SER 5 -3.246 -20.622 2.122
22 H SER 6 H SER 6 -7.774 -19.685 3.531
23 HA SER 6 HA SER 6 -8.826 -17.559 1.867
24 HB2 SER 6 1HB SER 6 -10.327 -20.107 2.401
25 HB3 SER 6 2HB SER 6 -11.197 -18.589 2.180
26 HG SER 6 HG SER 6 -10.705 -19.994 0.255
27 H GLY 7 H GLY 7 -8.916 -15.936 3.271
28 HA2 GLY 7 1HA GLY 7 -9.651 -16.500 6.059
29 HA3 GLY 7 2HA GLY 7 -8.834 -15.054 5.487
30 H THR 8 H THR 8 -11.803 -16.632 4.342
31 HA THR 8 HA THR 8 -13.911 -15.835 4.014
32 HB THR 8 HB THR 8 -13.372 -14.034 6.378
33 HG1 THR 8 HG1 THR 8 -12.900 -16.366 6.682
34 HG21 THR 8 3HG2 THR 8 -15.888 -14.685 6.701
35 HG22 THR 8 1HG2 THR 8 -15.817 -15.022 4.972
36 HG23 THR 8 2HG2 THR 8 -15.442 -13.406 5.571
37 H GLY 9 H GLY 9 -11.940 -14.631 2.441
38 HA2 GLY 9 1HA GLY 9 -12.713 -12.855 0.861
39 HA3 GLY 9 2HA GLY 9 -12.915 -11.844 2.284
40 H GLU 10 H GLU 10 -11.474 -10.587 0.627
41 HA GLU 10 HA GLU 10 -8.660 -11.142 1.307
42 HB2 GLU 10 1HB GLU 10 -9.843 -9.934 -1.193
43 HB3 GLU 10 2HB GLU 10 -8.130 -9.855 -0.807
44 HG2 GLU 10 1HG GLU 10 -8.441 -12.470 -0.561
45 HG3 GLU 10 2HG GLU 10 -9.779 -12.161 -1.666
46 H ASN 11 H ASN 11 -7.279 -9.296 1.608
47 HA ASN 11 HA ASN 11 -8.440 -7.296 3.227
48 HB2 ASN 11 1HB ASN 11 -6.065 -6.219 2.824
49 HB3 ASN 11 2HB ASN 11 -6.236 -7.678 3.796
50 HD21 ASN 11 1HD2 ASN 11 -5.182 -9.461 3.200
51 HD22 ASN 11 2HD2 ASN 11 -4.287 -9.639 1.733
52 HA PRO 12 HA PRO 12 -9.639 -4.178 0.376
53 HB2 PRO 12 1HB PRO 12 -9.186 -1.943 1.848
54 HB3 PRO 12 2HB PRO 12 -10.522 -3.052 2.174
55 HG2 PRO 12 1HG PRO 12 -7.857 -2.848 3.522
56 HG3 PRO 12 2HG PRO 12 -9.461 -3.076 4.243
57 HD2 PRO 12 1HD PRO 12 -7.725 -5.122 3.876
58 HD3 PRO 12 2HD PRO 12 -9.486 -5.335 3.784
59 H PHE 13 H PHE 13 -6.630 -3.337 2.103
60 HA PHE 13 HA PHE 13 -5.270 -2.903 -0.412
61 HB2 PHE 13 1HB PHE 13 -5.364 -0.617 1.554
62 HB3 PHE 13 2HB PHE 13 -4.704 -0.615 -0.078
63 HD1 PHE 13 HD2 PHE 13 -6.191 -0.571 -2.020
64 HD2 PHE 13 HD1 PHE 13 -7.703 -0.338 1.952
65 HE1 PHE 13 HE2 PHE 13 -8.343 0.243 -2.891
66 HE2 PHE 13 HE1 PHE 13 -9.858 0.475 1.087
67 HZ PHE 13 HZ PHE 13 -10.180 0.767 -1.337
68 H ILE 14 H ILE 14 -2.956 -2.548 -0.132
69 HA ILE 14 HA ILE 14 -1.899 -3.127 2.529
70 HB ILE 14 HB ILE 14 -1.335 -4.826 0.099
71 HG12 ILE 14 1HG1 ILE 14 -2.265 -5.674 2.843
72 HG13 ILE 14 2HG1 ILE 14 -3.382 -5.289 1.538
73 HG21 ILE 14 1HG2 ILE 14 0.741 -4.296 1.290
74 HG22 ILE 14 2HG2 ILE 14 0.025 -4.887 2.789
75 HG23 ILE 14 3HG2 ILE 14 0.312 -5.999 1.450
76 HD11 ILE 14 3HD1 ILE 14 -2.651 -7.112 0.245
77 HD12 ILE 14 1HD1 ILE 14 -1.237 -7.368 1.267
78 HD13 ILE 14 2HD1 ILE 14 -2.849 -7.726 1.886
79 H CYS 15 H CYS 15 0.195 -2.414 2.870
80 HA CYS 15 HA CYS 15 1.129 -0.419 0.992
81 HB2 CYS 15 1HB CYS 15 1.058 -0.167 3.545
82 HB3 CYS 15 2HB CYS 15 2.482 -1.201 3.568
83 H SER 16 H SER 16 1.845 -1.677 -0.754
84 HA SER 16 HA SER 16 3.382 -3.888 -0.867
85 HB2 SER 16 1HB SER 16 3.835 -1.403 -2.539
86 HB3 SER 16 2HB SER 16 4.355 -3.035 -2.959
87 HG SER 16 HG SER 16 1.663 -2.686 -2.355
88 H GLU 17 H GLU 17 4.364 -0.798 0.341
89 HA GLU 17 HA GLU 17 7.169 -1.152 0.172
90 HB2 GLU 17 1HB GLU 17 5.428 0.588 1.912
91 HB3 GLU 17 2HB GLU 17 7.183 0.606 2.022
92 HG2 GLU 17 1HG GLU 17 6.870 2.327 0.577
93 HG3 GLU 17 2HG GLU 17 7.007 0.999 -0.573
94 H CYS 18 H CYS 18 5.206 -1.128 3.148
95 HA CYS 18 HA CYS 18 7.149 -2.911 4.398
96 HB2 CYS 18 1HB CYS 18 5.795 -2.418 6.478
97 HB3 CYS 18 2HB CYS 18 6.590 -1.028 5.746
98 H GLY 19 H GLY 19 3.624 -2.720 3.915
99 HA2 GLY 19 1HA GLY 19 2.562 -4.780 3.044
100 HA3 GLY 19 2HA GLY 19 3.549 -5.661 4.201
101 H LYS 20 H LYS 20 1.772 -2.653 4.737
102 HA LYS 20 HA LYS 20 0.271 -4.021 6.860
103 HB2 LYS 20 1HB LYS 20 1.766 -1.857 7.168
104 HB3 LYS 20 2HB LYS 20 0.313 -1.048 6.597
105 HG2 LYS 20 1HG LYS 20 -0.966 -1.901 8.422
106 HG3 LYS 20 2HG LYS 20 0.362 -2.947 8.930
107 HD2 LYS 20 1HD LYS 20 0.674 0.036 8.792
108 HD3 LYS 20 2HD LYS 20 -0.005 -0.757 10.216
109 HE2 LYS 20 1HE LYS 20 1.984 -1.862 10.699
110 HE3 LYS 20 2HE LYS 20 2.603 -1.667 9.060
111 HZ1 LYS 20 3HZ LYS 20 3.670 0.128 9.750
112 HZ2 LYS 20 1HZ LYS 20 2.990 0.001 11.295
113 HZ3 LYS 20 2HZ LYS 20 2.193 0.881 10.090
114 H VAL 21 H VAL 21 -1.959 -3.808 7.032
115 HA VAL 21 HA VAL 21 -3.297 -3.016 4.542
116 HB VAL 21 HB VAL 21 -4.275 -4.758 6.809
117 HG11 VAL 21 1HG1 VAL 21 -5.613 -3.859 4.268
118 HG12 VAL 21 2HG1 VAL 21 -6.150 -5.261 5.195
119 HG13 VAL 21 3HG1 VAL 21 -6.177 -3.656 5.926
120 HG21 VAL 21 3HG2 VAL 21 -3.763 -6.593 5.551
121 HG22 VAL 21 1HG2 VAL 21 -3.933 -5.729 4.022
122 HG23 VAL 21 2HG2 VAL 21 -2.486 -5.506 5.005
123 H PHE 22 H PHE 22 -4.856 -1.477 4.484
124 HA PHE 22 HA PHE 22 -5.593 -0.191 7.028
125 HB2 PHE 22 1HB PHE 22 -5.042 1.238 4.419
126 HB3 PHE 22 2HB PHE 22 -5.495 1.990 5.945
127 HD1 PHE 22 HD2 PHE 22 -2.852 -0.091 4.370
128 HD2 PHE 22 HD1 PHE 22 -3.860 2.680 7.439
129 HE1 PHE 22 HE2 PHE 22 -0.475 0.099 4.974
130 HE2 PHE 22 HE1 PHE 22 -1.484 2.876 8.048
131 HZ PHE 22 HZ PHE 22 0.212 1.584 6.816
132 H THR 23 H THR 23 -7.702 0.337 7.289
133 HA THR 23 HA THR 23 -9.628 -0.878 5.598
134 HB THR 23 HB THR 23 -10.172 1.215 7.706
135 HG1 THR 23 HG1 THR 23 -8.895 -0.917 8.183
136 HG21 THR 23 3HG2 THR 23 -12.231 -0.432 7.892
137 HG22 THR 23 1HG2 THR 23 -11.810 -0.777 6.215
138 HG23 THR 23 2HG2 THR 23 -12.207 0.870 6.704
139 H HIS 24 H HIS 24 -8.735 2.512 6.181
140 HA HIS 24 HA HIS 24 -10.497 3.380 4.027
141 HB2 HIS 24 1HB HIS 24 -10.044 4.557 6.355
142 HB3 HIS 24 2HB HIS 24 -8.690 5.264 5.478
143 HD1 HIS 24 HD1 HIS 24 -9.221 7.031 3.710
144 HD2 HIS 24 HD2 HIS 24 -12.601 5.382 5.475
145 HE1 HIS 24 HE1 HIS 24 -11.137 8.492 2.989
146 H LYS 25 H LYS 25 -9.836 4.017 2.055
147 HA LYS 25 HA LYS 25 -7.371 3.229 1.028
148 HB2 LYS 25 1HB LYS 25 -9.219 3.549 -0.458
149 HB3 LYS 25 2HB LYS 25 -9.387 5.235 0.017
150 HG2 LYS 25 1HG LYS 25 -8.315 5.512 -1.963
151 HG3 LYS 25 2HG LYS 25 -6.912 5.367 -0.902
152 HD2 LYS 25 1HD LYS 25 -8.058 2.882 -2.071
153 HD3 LYS 25 2HD LYS 25 -7.128 3.949 -3.126
154 HE2 LYS 25 1HE LYS 25 -5.411 3.890 -1.144
155 HE3 LYS 25 2HE LYS 25 -6.249 2.393 -0.737
156 HZ1 LYS 25 3HZ LYS 25 -4.743 3.035 -3.199
157 HZ2 LYS 25 1HZ LYS 25 -5.842 1.751 -3.140
158 HZ3 LYS 25 2HZ LYS 25 -4.495 1.758 -2.118
159 H THR 26 H THR 26 -8.445 6.402 2.169
160 HA THR 26 HA THR 26 -6.068 7.782 1.463
161 HB THR 26 HB THR 26 -7.896 8.616 3.705
162 HG1 THR 26 HG1 THR 26 -8.685 8.052 1.260
163 HG21 THR 26 3HG2 THR 26 -6.723 10.420 1.636
164 HG22 THR 26 1HG2 THR 26 -5.691 9.820 2.933
165 HG23 THR 26 2HG2 THR 26 -7.136 10.756 3.317
166 H ASN 27 H ASN 27 -7.068 5.959 4.277
167 HA ASN 27 HA ASN 27 -5.136 6.864 6.100
168 HB2 ASN 27 1HB ASN 27 -6.830 4.418 5.856
169 HB3 ASN 27 2HB ASN 27 -5.498 4.397 7.008
170 HD21 ASN 27 1HD2 ASN 27 -8.433 4.378 7.373
171 HD22 ASN 27 2HD2 ASN 27 -8.768 5.702 8.430
172 H LEU 28 H LEU 28 -5.003 4.470 3.544
173 HA LEU 28 HA LEU 28 -2.465 3.396 4.335
174 HB2 LEU 28 1HB LEU 28 -3.607 1.849 3.112
175 HB3 LEU 28 2HB LEU 28 -4.330 3.060 2.054
176 HG LEU 28 HG LEU 28 -2.071 3.283 0.956
177 HD11 LEU 28 1HD1 LEU 28 -1.495 0.704 2.402
178 HD12 LEU 28 2HD1 LEU 28 -0.805 2.266 2.841
179 HD13 LEU 28 3HD1 LEU 28 -0.446 1.555 1.268
180 HD21 LEU 28 3HD2 LEU 28 -4.123 1.394 0.606
181 HD22 LEU 28 1HD2 LEU 28 -2.603 0.531 0.371
182 HD23 LEU 28 2HD2 LEU 28 -2.960 1.965 -0.592
183 H ILE 29 H ILE 29 -3.561 5.621 1.791
184 HA ILE 29 HA ILE 29 -1.082 6.089 0.595
185 HB ILE 29 HB ILE 29 -3.531 7.824 0.822
186 HG12 ILE 29 1HG1 ILE 29 -2.319 6.419 -1.564
187 HG13 ILE 29 2HG1 ILE 29 -3.578 5.717 -0.553
188 HG21 ILE 29 1HG2 ILE 29 -2.510 9.249 -0.930
189 HG22 ILE 29 2HG2 ILE 29 -1.670 9.334 0.617
190 HG23 ILE 29 3HG2 ILE 29 -0.992 8.381 -0.702
191 HD11 ILE 29 3HD1 ILE 29 -4.444 6.718 -2.622
192 HD12 ILE 29 1HD1 ILE 29 -5.107 7.470 -1.171
193 HD13 ILE 29 2HD1 ILE 29 -3.843 8.288 -2.090
194 H ILE 30 H ILE 30 -2.675 7.766 3.283
195 HA ILE 30 HA ILE 30 -0.727 9.767 3.636
196 HB ILE 30 HB ILE 30 -2.650 8.561 5.626
197 HG12 ILE 30 1HG1 ILE 30 -2.773 11.204 4.163
198 HG13 ILE 30 2HG1 ILE 30 -3.595 9.747 3.616
199 HG21 ILE 30 1HG2 ILE 30 -1.066 11.113 5.879
200 HG22 ILE 30 2HG2 ILE 30 -2.210 10.458 7.049
201 HG23 ILE 30 3HG2 ILE 30 -0.699 9.609 6.723
202 HD11 ILE 30 3HD1 ILE 30 -4.595 9.800 6.043
203 HD12 ILE 30 1HD1 ILE 30 -4.192 11.513 5.925
204 HD13 ILE 30 2HD1 ILE 30 -5.280 10.779 4.746
205 H HIS 31 H HIS 31 -0.913 6.451 4.712
206 HA HIS 31 HA HIS 31 1.233 6.695 6.614
207 HB2 HIS 31 1HB HIS 31 -0.152 4.964 7.236
208 HB3 HIS 31 2HB HIS 31 -0.466 4.475 5.573
209 HD1 HIS 31 HD1 HIS 31 1.511 3.609 8.496
210 HD2 HIS 31 HD2 HIS 31 1.795 3.026 4.392
211 HE1 HIS 31 HE1 HIS 31 3.178 1.750 8.195
212 H GLN 32 H GLN 32 0.856 5.422 3.331
213 HA GLN 32 HA GLN 32 3.329 4.276 2.944
214 HB2 GLN 32 1HB GLN 32 1.570 5.806 1.031
215 HB3 GLN 32 2HB GLN 32 3.032 4.973 0.517
216 HG2 GLN 32 1HG GLN 32 2.142 2.858 1.129
217 HG3 GLN 32 2HG GLN 32 0.769 3.605 1.944
218 HE21 GLN 32 1HE2 GLN 32 0.965 1.662 -0.299
219 HE22 GLN 32 2HE2 GLN 32 0.024 2.353 -1.572
220 H LYS 33 H LYS 33 2.564 7.591 3.383
221 HA LYS 33 HA LYS 33 4.643 8.866 2.039
222 HB2 LYS 33 1HB LYS 33 3.337 9.611 4.662
223 HB3 LYS 33 2HB LYS 33 4.359 10.681 3.712
224 HG2 LYS 33 1HG LYS 33 2.610 10.084 1.822
225 HG3 LYS 33 2HG LYS 33 1.578 9.776 3.220
226 HD2 LYS 33 1HD LYS 33 1.565 11.971 3.866
227 HD3 LYS 33 2HD LYS 33 3.155 12.297 3.174
228 HE2 LYS 33 1HE LYS 33 1.474 13.457 1.894
229 HE3 LYS 33 2HE LYS 33 2.158 12.159 0.916
230 HZ1 LYS 33 3HZ LYS 33 -0.537 12.507 1.888
231 HZ2 LYS 33 1HZ LYS 33 0.071 10.941 2.091
232 HZ3 LYS 33 2HZ LYS 33 0.029 11.638 0.551
233 H ILE 34 H ILE 34 4.666 6.988 4.955
234 HA ILE 34 HA ILE 34 7.090 7.939 6.056
235 HB ILE 34 HB ILE 34 7.061 6.050 7.486
236 HG12 ILE 34 1HG1 ILE 34 5.050 4.742 5.645
237 HG13 ILE 34 2HG1 ILE 34 6.771 4.376 5.637
238 HG21 ILE 34 1HG2 ILE 34 4.305 5.898 7.655
239 HG22 ILE 34 2HG2 ILE 34 5.340 7.077 8.459
240 HG23 ILE 34 3HG2 ILE 34 4.599 7.467 6.907
241 HD11 ILE 34 3HD1 ILE 34 6.577 3.011 7.374
242 HD12 ILE 34 1HD1 ILE 34 5.625 4.179 8.289
243 HD13 ILE 34 2HD1 ILE 34 4.834 3.113 7.127
244 H HIS 35 H HIS 35 6.541 6.335 3.200
245 HA HIS 35 HA HIS 35 9.250 5.174 3.197
246 HB2 HIS 35 1HB HIS 35 6.958 4.380 1.394
247 HB3 HIS 35 2HB HIS 35 8.515 3.573 1.557
248 HD1 HIS 35 HD1 HIS 35 8.907 2.777 4.253
249 HD2 HIS 35 HD2 HIS 35 5.040 3.082 2.765
250 HE1 HIS 35 HE1 HIS 35 7.486 1.373 5.781
251 H THR 36 H THR 36 7.072 7.396 1.720
252 HA THR 36 HA THR 36 8.591 7.723 -0.706
253 HB THR 36 HB THR 36 7.070 9.544 -1.226
254 HG1 THR 36 HG1 THR 36 6.891 9.787 1.390
255 HG21 THR 36 3HG2 THR 36 4.840 8.204 -0.621
256 HG22 THR 36 1HG2 THR 36 6.018 6.943 -0.262
257 HG23 THR 36 2HG2 THR 36 5.959 7.662 -1.871
258 H GLY 37 H GLY 37 10.682 8.181 0.183
259 HA2 GLY 37 1HA GLY 37 10.923 10.826 1.460
260 HA3 GLY 37 2HA GLY 37 12.128 9.549 1.543
261 H GLU 38 H GLU 38 12.724 12.196 0.831
262 HA GLU 38 HA GLU 38 13.431 11.870 -2.012
263 HB2 GLU 38 1HB GLU 38 13.457 14.357 -2.146
264 HB3 GLU 38 2HB GLU 38 11.866 13.687 -1.816
265 HG2 GLU 38 1HG GLU 38 12.452 14.120 0.659
266 HG3 GLU 38 2HG GLU 38 13.693 15.188 0.008
267 H ARG 39 H ARG 39 15.401 10.865 -1.505
268 HA ARG 39 HA ARG 39 17.520 12.724 -0.839
269 HB2 ARG 39 1HB ARG 39 16.568 11.453 1.284
270 HB3 ARG 39 2HB ARG 39 17.593 10.159 0.680
271 HG2 ARG 39 1HG ARG 39 19.543 11.398 0.981
272 HG3 ARG 39 2HG ARG 39 18.665 12.925 1.083
273 HD2 ARG 39 1HD ARG 39 19.173 12.545 3.295
274 HD3 ARG 39 2HD ARG 39 17.569 11.824 3.179
275 HE ARG 39 HE ARG 39 19.641 9.931 2.666
276 HH11 ARG 39 1HH1 ARG 39 17.913 11.588 5.193
277 HH12 ARG 39 2HH1 ARG 39 18.194 10.352 6.374
278 HH21 ARG 39 1HH2 ARG 39 20.018 8.297 4.212
279 HH22 ARG 39 2HH2 ARG 39 19.392 8.481 5.816
280 HA PRO 40 HA PRO 40 19.522 10.351 -3.965
281 HB2 PRO 40 1HB PRO 40 22.073 11.168 -3.525
282 HB3 PRO 40 2HB PRO 40 20.855 12.194 -4.291
283 HG2 PRO 40 1HG PRO 40 21.800 12.175 -1.451
284 HG3 PRO 40 2HG PRO 40 21.472 13.558 -2.512
285 HD2 PRO 40 1HD PRO 40 19.718 12.719 -0.627
286 HD3 PRO 40 2HD PRO 40 19.197 13.449 -2.159
287 H SER 41 H SER 41 19.795 9.782 -0.687
288 HA SER 41 HA SER 41 20.605 8.076 0.581
289 HB2 SER 41 1HB SER 41 19.331 6.826 -1.267
290 HB3 SER 41 2HB SER 41 20.915 6.488 -1.963
291 HG SER 41 HG SER 41 20.342 5.913 0.740
292 H GLY 42 H GLY 42 22.497 9.941 0.013
293 HA2 GLY 42 1HA GLY 42 24.911 8.321 -0.525
294 HA3 GLY 42 2HA GLY 42 24.776 10.023 -0.942
295 HA PRO 43 HA PRO 43 27.000 9.804 3.087
296 HB2 PRO 43 1HB PRO 43 28.766 11.770 2.466
297 HB3 PRO 43 2HB PRO 43 29.017 10.078 2.021
298 HG2 PRO 43 1HG PRO 43 27.979 12.341 0.358
299 HG3 PRO 43 2HG PRO 43 29.139 11.073 -0.078
300 HD2 PRO 43 1HD PRO 43 26.534 10.980 -0.812
301 HD3 PRO 43 2HD PRO 43 27.483 9.518 -0.471
302 H SER 44 H SER 44 27.317 11.519 4.701
303 HA SER 44 HA SER 44 25.150 12.952 5.362
304 HB2 SER 44 1HB SER 44 26.504 14.301 6.799
305 HB3 SER 44 2HB SER 44 27.293 12.727 6.694
306 HG SER 44 HG SER 44 28.324 15.087 6.133
307 H SER 45 H SER 45 24.242 14.942 4.979
308 HA SER 45 HA SER 45 25.329 16.423 2.674
309 HB2 SER 45 1HB SER 45 23.193 15.313 2.165
310 HB3 SER 45 2HB SER 45 22.436 16.139 3.527
311 HG SER 45 HG SER 45 22.725 18.087 2.479
312 H GLY 46 H GLY 46 24.668 18.756 2.624
313 HA2 GLY 46 1HA GLY 46 23.726 20.219 4.760
314 HA3 GLY 46 2HA GLY 46 25.440 19.997 5.077
Start of MODEL 6
1 H1 GLY 1 H GLY 1 5.450 -28.497 -3.345
2 HA2 GLY 1 1HA GLY 1 6.761 -26.483 -5.068
3 HA3 GLY 1 2HA GLY 1 5.016 -26.628 -4.917
4 H SER 2 H SER 2 4.036 -26.092 -2.870
5 HA SER 2 HA SER 2 5.380 -23.842 -1.630
6 HB2 SER 2 1HB SER 2 2.602 -24.964 -1.189
7 HB3 SER 2 2HB SER 2 3.215 -23.457 -0.508
8 HG SER 2 HG SER 2 3.285 -23.887 -3.287
9 H SER 3 H SER 3 4.946 -23.632 0.843
10 HA SER 3 HA SER 3 6.005 -26.076 2.077
11 HB2 SER 3 1HB SER 3 6.873 -24.641 3.838
12 HB3 SER 3 2HB SER 3 7.365 -24.002 2.269
13 HG SER 3 HG SER 3 6.354 -22.557 4.007
14 H GLY 4 H GLY 4 3.621 -23.496 2.613
15 HA2 GLY 4 1HA GLY 4 1.375 -24.240 3.302
16 HA3 GLY 4 2HA GLY 4 2.176 -25.360 4.394
17 H SER 5 H SER 5 2.963 -21.961 3.809
18 HA SER 5 HA SER 5 2.338 -21.431 6.640
19 HB2 SER 5 1HB SER 5 4.603 -20.571 4.896
20 HB3 SER 5 2HB SER 5 4.041 -19.453 6.139
21 HG SER 5 HG SER 5 5.743 -21.000 6.754
22 H SER 6 H SER 6 2.574 -19.832 3.465
23 HA SER 6 HA SER 6 1.017 -17.583 4.250
24 HB2 SER 6 1HB SER 6 2.148 -18.617 1.694
25 HB3 SER 6 2HB SER 6 0.833 -17.446 1.591
26 HG SER 6 HG SER 6 2.063 -15.960 2.632
27 H GLY 7 H GLY 7 -1.009 -16.987 2.956
28 HA2 GLY 7 1HA GLY 7 -2.726 -19.333 2.512
29 HA3 GLY 7 2HA GLY 7 -3.245 -18.092 3.643
30 H THR 8 H THR 8 -5.123 -17.950 2.218
31 HA THR 8 HA THR 8 -4.784 -16.919 -0.442
32 HB THR 8 HB THR 8 -7.250 -16.646 -0.418
33 HG1 THR 8 HG1 THR 8 -7.375 -17.947 2.065
34 HG21 THR 8 3HG2 THR 8 -7.674 -18.887 -0.697
35 HG22 THR 8 1HG2 THR 8 -6.751 -19.351 0.732
36 HG23 THR 8 2HG2 THR 8 -5.911 -18.895 -0.750
37 H GLY 9 H GLY 9 -3.875 -14.938 -0.568
38 HA2 GLY 9 1HA GLY 9 -4.070 -12.863 1.271
39 HA3 GLY 9 2HA GLY 9 -3.707 -12.652 -0.436
40 H GLU 10 H GLU 10 -5.949 -12.096 2.030
41 HA GLU 10 HA GLU 10 -7.854 -11.030 0.064
42 HB2 GLU 10 1HB GLU 10 -8.466 -12.763 2.449
43 HB3 GLU 10 2HB GLU 10 -9.676 -11.701 1.742
44 HG2 GLU 10 1HG GLU 10 -9.398 -12.853 -0.412
45 HG3 GLU 10 2HG GLU 10 -8.241 -13.947 0.344
46 H ASN 11 H ASN 11 -7.090 -8.944 0.409
47 HA ASN 11 HA ASN 11 -7.981 -7.737 2.918
48 HB2 ASN 11 1HB ASN 11 -5.189 -7.643 1.818
49 HB3 ASN 11 2HB ASN 11 -5.811 -6.298 2.770
50 HD21 ASN 11 1HD2 ASN 11 -4.288 -9.263 2.867
51 HD22 ASN 11 2HD2 ASN 11 -4.450 -9.589 4.556
52 HA PRO 12 HA PRO 12 -9.543 -4.544 0.344
53 HB2 PRO 12 1HB PRO 12 -9.331 -2.385 1.976
54 HB3 PRO 12 2HB PRO 12 -10.525 -3.665 2.226
55 HG2 PRO 12 1HG PRO 12 -7.882 -3.251 3.570
56 HG3 PRO 12 2HG PRO 12 -9.438 -3.717 4.281
57 HD2 PRO 12 1HD PRO 12 -7.482 -5.513 3.751
58 HD3 PRO 12 2HD PRO 12 -9.207 -5.923 3.654
59 H PHE 13 H PHE 13 -6.655 -3.434 2.128
60 HA PHE 13 HA PHE 13 -5.323 -2.742 -0.332
61 HB2 PHE 13 1HB PHE 13 -6.032 -0.551 1.631
62 HB3 PHE 13 2HB PHE 13 -5.022 -0.368 0.200
63 HD1 PHE 13 HD2 PHE 13 -6.045 -0.651 -2.060
64 HD2 PHE 13 HD1 PHE 13 -8.377 -0.455 1.496
65 HE1 PHE 13 HE2 PHE 13 -8.041 -0.133 -3.402
66 HE2 PHE 13 HE1 PHE 13 -10.377 0.062 0.159
67 HZ PHE 13 HZ PHE 13 -10.211 0.226 -2.293
68 H ILE 14 H ILE 14 -3.275 -3.306 -0.063
69 HA ILE 14 HA ILE 14 -2.114 -3.136 2.642
70 HB ILE 14 HB ILE 14 -1.445 -5.112 0.457
71 HG12 ILE 14 1HG1 ILE 14 -2.640 -5.663 3.173
72 HG13 ILE 14 2HG1 ILE 14 -3.624 -5.418 1.734
73 HG21 ILE 14 1HG2 ILE 14 0.571 -4.905 1.519
74 HG22 ILE 14 2HG2 ILE 14 -0.161 -4.445 3.055
75 HG23 ILE 14 3HG2 ILE 14 -0.189 -6.130 2.535
76 HD11 ILE 14 3HD1 ILE 14 -2.755 -7.362 0.707
77 HD12 ILE 14 1HD1 ILE 14 -1.493 -7.525 1.928
78 HD13 ILE 14 2HD1 ILE 14 -3.181 -7.802 2.360
79 H CYS 15 H CYS 15 0.101 -2.567 2.813
80 HA CYS 15 HA CYS 15 0.962 -0.750 0.709
81 HB2 CYS 15 1HB CYS 15 0.963 -0.076 3.126
82 HB3 CYS 15 2HB CYS 15 2.241 -1.255 3.402
83 H SER 16 H SER 16 1.650 -2.184 -0.896
84 HA SER 16 HA SER 16 3.193 -4.413 -0.738
85 HB2 SER 16 1HB SER 16 2.456 -3.765 -2.889
86 HB3 SER 16 2HB SER 16 3.227 -2.183 -2.767
87 HG SER 16 HG SER 16 4.231 -4.232 -3.932
88 H GLU 17 H GLU 17 4.167 -1.169 -0.045
89 HA GLU 17 HA GLU 17 6.959 -1.464 -0.317
90 HB2 GLU 17 1HB GLU 17 5.619 0.348 1.681
91 HB3 GLU 17 2HB GLU 17 7.154 0.585 0.858
92 HG2 GLU 17 1HG GLU 17 5.648 0.552 -1.288
93 HG3 GLU 17 2HG GLU 17 4.383 0.989 -0.141
94 H CYS 18 H CYS 18 4.878 -1.648 2.569
95 HA CYS 18 HA CYS 18 7.033 -3.141 3.914
96 HB2 CYS 18 1HB CYS 18 5.952 -2.390 6.046
97 HB3 CYS 18 2HB CYS 18 6.621 -1.080 5.079
98 H GLY 19 H GLY 19 3.489 -2.855 3.696
99 HA2 GLY 19 1HA GLY 19 2.331 -4.983 3.112
100 HA3 GLY 19 2HA GLY 19 3.336 -5.736 4.341
101 H LYS 20 H LYS 20 1.896 -2.570 4.728
102 HA LYS 20 HA LYS 20 0.370 -3.601 7.001
103 HB2 LYS 20 1HB LYS 20 1.965 -1.512 6.996
104 HB3 LYS 20 2HB LYS 20 0.562 -0.692 6.325
105 HG2 LYS 20 1HG LYS 20 -0.746 -1.206 8.261
106 HG3 LYS 20 2HG LYS 20 0.533 -2.236 8.908
107 HD2 LYS 20 1HD LYS 20 1.944 -0.388 9.326
108 HD3 LYS 20 2HD LYS 20 0.948 0.690 8.345
109 HE2 LYS 20 1HE LYS 20 -0.630 0.942 9.980
110 HE3 LYS 20 2HE LYS 20 -0.318 -0.646 10.678
111 HZ1 LYS 20 3HZ LYS 20 1.914 1.149 10.893
112 HZ2 LYS 20 1HZ LYS 20 1.176 0.195 12.080
113 HZ3 LYS 20 2HZ LYS 20 0.536 1.713 11.696
114 H VAL 21 H VAL 21 -1.755 -3.893 6.899
115 HA VAL 21 HA VAL 21 -3.200 -3.009 4.532
116 HB VAL 21 HB VAL 21 -3.484 -5.328 5.289
117 HG11 VAL 21 1HG1 VAL 21 -4.903 -4.221 7.702
118 HG12 VAL 21 2HG1 VAL 21 -4.513 -5.905 7.347
119 HG13 VAL 21 3HG1 VAL 21 -3.225 -4.762 7.731
120 HG21 VAL 21 3HG2 VAL 21 -5.452 -3.575 4.477
121 HG22 VAL 21 1HG2 VAL 21 -5.573 -5.335 4.502
122 HG23 VAL 21 2HG2 VAL 21 -6.178 -4.390 5.863
123 H PHE 22 H PHE 22 -4.837 -1.546 4.505
124 HA PHE 22 HA PHE 22 -5.562 -0.276 7.060
125 HB2 PHE 22 1HB PHE 22 -5.099 1.146 4.429
126 HB3 PHE 22 2HB PHE 22 -5.604 1.902 5.937
127 HD1 PHE 22 HD2 PHE 22 -2.828 0.136 4.264
128 HD2 PHE 22 HD1 PHE 22 -4.035 2.503 7.589
129 HE1 PHE 22 HE2 PHE 22 -0.469 0.464 4.882
130 HE2 PHE 22 HE1 PHE 22 -1.678 2.836 8.212
131 HZ PHE 22 HZ PHE 22 0.108 1.815 6.859
132 H THR 23 H THR 23 -7.669 0.573 7.203
133 HA THR 23 HA THR 23 -9.603 -0.863 5.619
134 HB THR 23 HB THR 23 -10.141 1.226 7.735
135 HG1 THR 23 HG1 THR 23 -10.238 -1.541 8.238
136 HG21 THR 23 3HG2 THR 23 -11.797 -0.877 6.377
137 HG22 THR 23 1HG2 THR 23 -12.149 0.836 6.603
138 HG23 THR 23 2HG2 THR 23 -12.228 -0.269 7.975
139 H HIS 24 H HIS 24 -8.590 2.497 6.032
140 HA HIS 24 HA HIS 24 -10.450 3.321 3.921
141 HB2 HIS 24 1HB HIS 24 -10.046 4.528 6.250
142 HB3 HIS 24 2HB HIS 24 -8.723 5.280 5.365
143 HD1 HIS 24 HD1 HIS 24 -9.330 6.981 3.544
144 HD2 HIS 24 HD2 HIS 24 -12.629 5.271 5.403
145 HE1 HIS 24 HE1 HIS 24 -11.302 8.365 2.823
146 H LYS 25 H LYS 25 -9.772 3.715 1.919
147 HA LYS 25 HA LYS 25 -7.248 3.095 0.980
148 HB2 LYS 25 1HB LYS 25 -9.146 3.248 -0.511
149 HB3 LYS 25 2HB LYS 25 -9.312 4.968 -0.187
150 HG2 LYS 25 1HG LYS 25 -7.359 5.491 -1.386
151 HG3 LYS 25 2HG LYS 25 -6.836 3.806 -1.422
152 HD2 LYS 25 1HD LYS 25 -9.441 4.544 -2.674
153 HD3 LYS 25 2HD LYS 25 -7.942 4.916 -3.529
154 HE2 LYS 25 1HE LYS 25 -8.552 2.181 -2.437
155 HE3 LYS 25 2HE LYS 25 -9.039 2.686 -4.055
156 HZ1 LYS 25 3HZ LYS 25 -6.368 3.350 -3.809
157 HZ2 LYS 25 1HZ LYS 25 -7.030 2.099 -4.736
158 HZ3 LYS 25 2HZ LYS 25 -6.508 1.795 -3.157
159 H THR 26 H THR 26 -8.475 6.144 2.202
160 HA THR 26 HA THR 26 -6.252 7.720 1.356
161 HB THR 26 HB THR 26 -8.048 8.412 3.672
162 HG1 THR 26 HG1 THR 26 -9.232 9.480 1.754
163 HG21 THR 26 3HG2 THR 26 -7.734 10.694 2.391
164 HG22 THR 26 1HG2 THR 26 -6.297 9.888 1.762
165 HG23 THR 26 2HG2 THR 26 -6.498 10.101 3.501
166 H ASN 27 H ASN 27 -7.128 6.089 4.373
167 HA ASN 27 HA ASN 27 -5.133 7.059 6.031
168 HB2 ASN 27 1HB ASN 27 -6.736 4.550 5.935
169 HB3 ASN 27 2HB ASN 27 -5.335 4.582 7.001
170 HD21 ASN 27 1HD2 ASN 27 -7.011 4.294 8.646
171 HD22 ASN 27 2HD2 ASN 27 -7.791 5.698 9.283
172 H LEU 28 H LEU 28 -5.015 4.401 3.705
173 HA LEU 28 HA LEU 28 -2.439 3.470 4.367
174 HB2 LEU 28 1HB LEU 28 -3.697 1.997 3.097
175 HB3 LEU 28 2HB LEU 28 -4.201 3.250 1.964
176 HG LEU 28 HG LEU 28 -1.856 3.274 1.082
177 HD11 LEU 28 1HD1 LEU 28 -0.269 1.733 1.719
178 HD12 LEU 28 2HD1 LEU 28 -1.459 0.630 2.409
179 HD13 LEU 28 3HD1 LEU 28 -1.034 2.113 3.262
180 HD21 LEU 28 3HD2 LEU 28 -2.213 1.468 -0.364
181 HD22 LEU 28 1HD2 LEU 28 -3.832 1.951 0.144
182 HD23 LEU 28 2HD2 LEU 28 -3.068 0.535 0.866
183 H ILE 29 H ILE 29 -3.536 5.731 1.851
184 HA ILE 29 HA ILE 29 -1.080 6.272 0.674
185 HB ILE 29 HB ILE 29 -3.456 8.094 1.052
186 HG12 ILE 29 1HG1 ILE 29 -2.536 6.637 -1.428
187 HG13 ILE 29 2HG1 ILE 29 -3.695 5.953 -0.294
188 HG21 ILE 29 1HG2 ILE 29 -1.356 9.356 0.683
189 HG22 ILE 29 2HG2 ILE 29 -1.127 8.469 -0.823
190 HG23 ILE 29 3HG2 ILE 29 -2.518 9.536 -0.632
191 HD11 ILE 29 3HD1 ILE 29 -5.150 6.871 -1.752
192 HD12 ILE 29 1HD1 ILE 29 -4.888 8.289 -0.736
193 HD13 ILE 29 2HD1 ILE 29 -4.020 8.125 -2.263
194 H ILE 30 H ILE 30 -2.638 7.891 3.426
195 HA ILE 30 HA ILE 30 -0.702 9.859 3.858
196 HB ILE 30 HB ILE 30 -2.434 8.490 5.920
197 HG12 ILE 30 1HG1 ILE 30 -2.961 11.142 4.596
198 HG13 ILE 30 2HG1 ILE 30 -3.528 9.635 3.884
199 HG21 ILE 30 1HG2 ILE 30 -1.072 11.177 6.030
200 HG22 ILE 30 2HG2 ILE 30 -2.086 10.461 7.281
201 HG23 ILE 30 3HG2 ILE 30 -0.533 9.729 6.879
202 HD11 ILE 30 3HD1 ILE 30 -4.347 9.491 6.523
203 HD12 ILE 30 1HD1 ILE 30 -4.616 11.173 6.068
204 HD13 ILE 30 2HD1 ILE 30 -5.347 9.875 5.123
205 H HIS 31 H HIS 31 -0.810 6.489 4.811
206 HA HIS 31 HA HIS 31 1.387 6.646 6.636
207 HB2 HIS 31 1HB HIS 31 0.105 4.806 7.130
208 HB3 HIS 31 2HB HIS 31 -0.257 4.470 5.439
209 HD1 HIS 31 HD1 HIS 31 2.127 3.658 8.156
210 HD2 HIS 31 HD2 HIS 31 1.730 2.957 4.080
211 HE1 HIS 31 HE1 HIS 31 3.770 1.829 7.624
212 H GLN 32 H GLN 32 1.073 5.116 3.425
213 HA GLN 32 HA GLN 32 3.560 4.299 2.886
214 HB2 GLN 32 1HB GLN 32 1.711 5.848 1.078
215 HB3 GLN 32 2HB GLN 32 3.206 5.122 0.502
216 HG2 GLN 32 1HG GLN 32 2.433 2.934 0.994
217 HG3 GLN 32 2HG GLN 32 1.039 3.558 1.874
218 HE21 GLN 32 1HE2 GLN 32 1.188 1.738 -0.418
219 HE22 GLN 32 2HE2 GLN 32 0.231 2.465 -1.659
220 H LYS 33 H LYS 33 2.587 7.626 3.227
221 HA LYS 33 HA LYS 33 4.612 9.021 2.022
222 HB2 LYS 33 1HB LYS 33 3.379 9.603 4.722
223 HB3 LYS 33 2HB LYS 33 4.274 10.758 3.742
224 HG2 LYS 33 1HG LYS 33 2.465 10.114 1.939
225 HG3 LYS 33 2HG LYS 33 1.535 9.672 3.373
226 HD2 LYS 33 1HD LYS 33 1.683 11.878 4.249
227 HD3 LYS 33 2HD LYS 33 2.884 12.345 3.043
228 HE2 LYS 33 1HE LYS 33 1.293 12.333 1.306
229 HE3 LYS 33 2HE LYS 33 0.116 11.456 2.282
230 HZ1 LYS 33 3HZ LYS 33 -0.726 13.395 2.890
231 HZ2 LYS 33 1HZ LYS 33 0.461 14.236 2.028
232 HZ3 LYS 33 2HZ LYS 33 0.734 13.804 3.640
233 H ILE 34 H ILE 34 4.668 7.592 5.276
234 HA ILE 34 HA ILE 34 7.084 8.422 6.216
235 HB ILE 34 HB ILE 34 7.228 6.416 7.532
236 HG12 ILE 34 1HG1 ILE 34 5.000 5.153 5.962
237 HG13 ILE 34 2HG1 ILE 34 6.673 4.954 5.452
238 HG21 ILE 34 1HG2 ILE 34 4.472 6.271 7.841
239 HG22 ILE 34 2HG2 ILE 34 5.575 7.359 8.683
240 HG23 ILE 34 3HG2 ILE 34 4.764 7.891 7.210
241 HD11 ILE 34 3HD1 ILE 34 6.789 3.230 6.829
242 HD12 ILE 34 1HD1 ILE 34 6.677 4.369 8.170
243 HD13 ILE 34 2HD1 ILE 34 5.218 3.610 7.532
244 H HIS 35 H HIS 35 6.502 6.253 3.575
245 HA HIS 35 HA HIS 35 9.157 5.169 3.483
246 HB2 HIS 35 1HB HIS 35 6.941 5.185 1.424
247 HB3 HIS 35 2HB HIS 35 8.449 4.290 1.264
248 HD1 HIS 35 HD1 HIS 35 8.691 2.999 3.995
249 HD2 HIS 35 HD2 HIS 35 5.109 3.250 1.905
250 HE1 HIS 35 HE1 HIS 35 7.246 1.157 4.913
251 H THR 36 H THR 36 7.430 7.784 1.867
252 HA THR 36 HA THR 36 8.982 8.506 -0.200
253 HB THR 36 HB THR 36 7.023 9.808 0.691
254 HG1 THR 36 HG1 THR 36 7.682 11.450 -0.512
255 HG21 THR 36 3HG2 THR 36 8.560 10.067 2.955
256 HG22 THR 36 1HG2 THR 36 7.123 11.016 2.578
257 HG23 THR 36 2HG2 THR 36 8.723 11.648 2.192
258 H GLY 37 H GLY 37 10.802 9.895 -0.535
259 HA2 GLY 37 1HA GLY 37 12.479 11.123 1.158
260 HA3 GLY 37 2HA GLY 37 12.892 9.436 1.427
261 H GLU 38 H GLU 38 14.307 8.484 0.090
262 HA GLU 38 HA GLU 38 15.170 10.026 -2.262
263 HB2 GLU 38 1HB GLU 38 17.325 8.931 -2.048
264 HB3 GLU 38 2HB GLU 38 16.886 9.685 -0.521
265 HG2 GLU 38 1HG GLU 38 16.556 7.676 0.538
266 HG3 GLU 38 2HG GLU 38 16.231 6.815 -0.965
267 H ARG 39 H ARG 39 15.383 9.049 -4.248
268 HA ARG 39 HA ARG 39 15.066 6.230 -4.621
269 HB2 ARG 39 1HB ARG 39 12.959 6.286 -5.841
270 HB3 ARG 39 2HB ARG 39 12.726 6.861 -4.196
271 HG2 ARG 39 1HG ARG 39 13.258 8.863 -6.325
272 HG3 ARG 39 2HG ARG 39 11.666 8.105 -6.254
273 HD2 ARG 39 1HD ARG 39 12.989 9.411 -3.886
274 HD3 ARG 39 2HD ARG 39 11.905 10.266 -4.982
275 HE ARG 39 HE ARG 39 11.174 8.375 -2.945
276 HH11 ARG 39 1HH1 ARG 39 10.228 9.846 -5.955
277 HH12 ARG 39 2HH1 ARG 39 8.536 9.562 -5.713
278 HH21 ARG 39 1HH2 ARG 39 8.950 7.995 -2.615
279 HH22 ARG 39 2HH2 ARG 39 7.810 8.509 -3.812
280 HA PRO 40 HA PRO 40 17.250 7.258 -8.296
281 HB2 PRO 40 1HB PRO 40 16.722 5.046 -9.780
282 HB3 PRO 40 2HB PRO 40 17.829 5.037 -8.402
283 HG2 PRO 40 1HG PRO 40 14.969 4.162 -8.540
284 HG3 PRO 40 2HG PRO 40 16.342 3.376 -7.739
285 HD2 PRO 40 1HD PRO 40 14.524 4.862 -6.390
286 HD3 PRO 40 2HD PRO 40 16.229 4.766 -5.904
287 H SER 41 H SER 41 13.849 6.725 -8.275
288 HA SER 41 HA SER 41 12.172 7.162 -9.778
289 HB2 SER 41 1HB SER 41 12.117 9.445 -10.487
290 HB3 SER 41 2HB SER 41 12.962 9.419 -8.940
291 HG SER 41 HG SER 41 14.065 10.697 -10.470
292 H GLY 42 H GLY 42 13.991 5.355 -10.863
293 HA2 GLY 42 1HA GLY 42 14.400 4.365 -12.899
294 HA3 GLY 42 2HA GLY 42 13.409 5.616 -13.635
295 HA PRO 43 HA PRO 43 18.190 6.360 -13.983
296 HB2 PRO 43 1HB PRO 43 18.986 4.588 -15.879
297 HB3 PRO 43 2HB PRO 43 19.070 4.244 -14.147
298 HG2 PRO 43 1HG PRO 43 17.009 3.401 -16.148
299 HG3 PRO 43 2HG PRO 43 17.764 2.454 -14.853
300 HD2 PRO 43 1HD PRO 43 15.292 3.533 -14.617
301 HD3 PRO 43 2HD PRO 43 16.384 3.336 -13.232
302 H SER 44 H SER 44 15.900 5.323 -16.477
303 HA SER 44 HA SER 44 17.030 6.998 -18.510
304 HB2 SER 44 1HB SER 44 15.037 6.351 -19.824
305 HB3 SER 44 2HB SER 44 15.837 4.950 -19.113
306 HG SER 44 HG SER 44 13.368 6.098 -18.505
307 H SER 45 H SER 45 16.975 8.901 -16.960
308 HA SER 45 HA SER 45 14.551 10.448 -17.518
309 HB2 SER 45 1HB SER 45 15.831 10.100 -14.804
310 HB3 SER 45 2HB SER 45 14.729 11.425 -15.179
311 HG SER 45 HG SER 45 14.144 8.652 -15.363
312 H GLY 46 H GLY 46 15.361 11.940 -18.865
313 HA2 GLY 46 1HA GLY 46 17.935 13.196 -18.194
314 HA3 GLY 46 2HA GLY 46 17.166 13.225 -19.774
Start of MODEL 7
1 H1 GLY 1 H GLY 1 2.011 -23.972 -14.845
2 HA2 GLY 1 1HA GLY 1 1.585 -23.389 -17.625
3 HA3 GLY 1 2HA GLY 1 0.510 -24.644 -17.026
4 H SER 2 H SER 2 -1.397 -23.947 -16.360
5 HA SER 2 HA SER 2 -2.063 -21.225 -16.159
6 HB2 SER 2 1HB SER 2 -3.798 -22.784 -16.685
7 HB3 SER 2 2HB SER 2 -3.493 -23.716 -15.220
8 HG SER 2 HG SER 2 -4.110 -21.040 -14.855
9 H SER 3 H SER 3 -0.928 -20.045 -14.699
10 HA SER 3 HA SER 3 -1.309 -20.751 -11.869
11 HB2 SER 3 1HB SER 3 1.075 -21.127 -12.878
12 HB3 SER 3 2HB SER 3 1.199 -19.371 -12.774
13 HG SER 3 HG SER 3 0.336 -20.853 -10.547
14 H GLY 4 H GLY 4 -1.637 -19.043 -10.453
15 HA2 GLY 4 1HA GLY 4 -1.484 -16.311 -11.411
16 HA3 GLY 4 2HA GLY 4 -3.116 -16.906 -11.147
17 H SER 5 H SER 5 -0.021 -16.262 -9.587
18 HA SER 5 HA SER 5 -1.387 -16.271 -6.980
19 HB2 SER 5 1HB SER 5 0.594 -17.785 -7.253
20 HB3 SER 5 2HB SER 5 1.593 -16.353 -7.503
21 HG SER 5 HG SER 5 1.614 -17.057 -5.321
22 H SER 6 H SER 6 -0.324 -14.667 -5.389
23 HA SER 6 HA SER 6 0.041 -12.512 -4.757
24 HB2 SER 6 1HB SER 6 2.059 -12.771 -6.227
25 HB3 SER 6 2HB SER 6 1.119 -12.087 -7.553
26 HG SER 6 HG SER 6 1.176 -10.658 -5.165
27 H GLY 7 H GLY 7 -2.508 -13.177 -5.645
28 HA2 GLY 7 1HA GLY 7 -3.431 -11.095 -7.443
29 HA3 GLY 7 2HA GLY 7 -4.420 -12.328 -6.675
30 H THR 8 H THR 8 -5.956 -10.648 -6.227
31 HA THR 8 HA THR 8 -5.214 -8.509 -4.438
32 HB THR 8 HB THR 8 -6.944 -8.103 -6.109
33 HG1 THR 8 HG1 THR 8 -7.728 -8.040 -3.382
34 HG21 THR 8 3HG2 THR 8 -8.588 -10.145 -4.609
35 HG22 THR 8 1HG2 THR 8 -7.861 -10.392 -6.196
36 HG23 THR 8 2HG2 THR 8 -9.122 -9.177 -5.983
37 H GLY 9 H GLY 9 -7.031 -11.543 -4.233
38 HA2 GLY 9 1HA GLY 9 -7.713 -12.786 -2.429
39 HA3 GLY 9 2HA GLY 9 -6.353 -12.068 -1.579
40 H GLU 10 H GLU 10 -7.788 -12.222 0.295
41 HA GLU 10 HA GLU 10 -10.022 -10.357 0.351
42 HB2 GLU 10 1HB GLU 10 -10.176 -12.623 1.401
43 HB3 GLU 10 2HB GLU 10 -8.967 -12.113 2.571
44 HG2 GLU 10 1HG GLU 10 -11.120 -11.917 3.573
45 HG3 GLU 10 2HG GLU 10 -10.494 -10.295 3.281
46 H ASN 11 H ASN 11 -8.663 -8.464 0.047
47 HA ASN 11 HA ASN 11 -7.900 -7.322 2.587
48 HB2 ASN 11 1HB ASN 11 -5.878 -7.852 0.415
49 HB3 ASN 11 2HB ASN 11 -5.645 -6.584 1.614
50 HD21 ASN 11 1HD2 ASN 11 -4.829 -7.107 3.535
51 HD22 ASN 11 2HD2 ASN 11 -4.547 -8.718 4.090
52 HA PRO 12 HA PRO 12 -9.700 -3.881 0.457
53 HB2 PRO 12 1HB PRO 12 -9.202 -2.014 2.364
54 HB3 PRO 12 2HB PRO 12 -10.481 -3.225 2.516
55 HG2 PRO 12 1HG PRO 12 -7.731 -3.214 3.700
56 HG3 PRO 12 2HG PRO 12 -9.272 -3.666 4.453
57 HD2 PRO 12 1HD PRO 12 -7.512 -5.501 3.521
58 HD3 PRO 12 2HD PRO 12 -9.268 -5.763 3.497
59 H PHE 13 H PHE 13 -6.622 -3.263 2.160
60 HA PHE 13 HA PHE 13 -5.359 -2.360 -0.254
61 HB2 PHE 13 1HB PHE 13 -5.633 -0.303 1.934
62 HB3 PHE 13 2HB PHE 13 -5.023 -0.077 0.297
63 HD1 PHE 13 HD1 PHE 13 -8.004 -0.412 2.380
64 HD2 PHE 13 HD2 PHE 13 -6.534 0.142 -1.576
65 HE1 PHE 13 HE1 PHE 13 -10.250 0.274 1.645
66 HE2 PHE 13 HE2 PHE 13 -8.777 0.829 -2.317
67 HZ PHE 13 HZ PHE 13 -10.638 0.897 -0.706
68 H ILE 14 H ILE 14 -3.228 -2.725 -0.144
69 HA ILE 14 HA ILE 14 -2.015 -3.048 2.523
70 HB ILE 14 HB ILE 14 -1.485 -4.729 0.070
71 HG12 ILE 14 1HG1 ILE 14 -2.635 -5.490 2.764
72 HG13 ILE 14 2HG1 ILE 14 -3.581 -5.256 1.297
73 HG21 ILE 14 1HG2 ILE 14 -0.152 -4.661 2.766
74 HG22 ILE 14 2HG2 ILE 14 -0.020 -6.025 1.657
75 HG23 ILE 14 3HG2 ILE 14 0.589 -4.440 1.181
76 HD11 ILE 14 3HD1 ILE 14 -2.292 -7.091 0.244
77 HD12 ILE 14 1HD1 ILE 14 -1.499 -7.368 1.794
78 HD13 ILE 14 2HD1 ILE 14 -3.242 -7.595 1.641
79 H CYS 15 H CYS 15 0.002 -2.211 2.827
80 HA CYS 15 HA CYS 15 0.883 -0.206 0.994
81 HB2 CYS 15 1HB CYS 15 1.091 -0.059 3.492
82 HB3 CYS 15 2HB CYS 15 2.353 -1.283 3.406
83 H SER 16 H SER 16 2.281 -0.376 -0.628
84 HA SER 16 HA SER 16 3.547 -2.926 -1.152
85 HB2 SER 16 1HB SER 16 2.455 -1.646 -2.972
86 HB3 SER 16 2HB SER 16 3.640 -0.358 -2.755
87 HG SER 16 HG SER 16 4.173 -1.851 -4.449
88 H GLU 17 H GLU 17 4.509 -1.511 1.146
89 HA GLU 17 HA GLU 17 7.314 -1.191 0.337
90 HB2 GLU 17 1HB GLU 17 5.679 0.665 2.046
91 HB3 GLU 17 2HB GLU 17 7.427 0.581 2.212
92 HG2 GLU 17 1HG GLU 17 6.083 1.110 -0.418
93 HG3 GLU 17 2HG GLU 17 6.502 2.396 0.713
94 H CYS 18 H CYS 18 5.169 -1.444 3.174
95 HA CYS 18 HA CYS 18 7.201 -3.141 4.459
96 HB2 CYS 18 1HB CYS 18 5.968 -2.600 6.580
97 HB3 CYS 18 2HB CYS 18 6.723 -1.213 5.801
98 H GLY 19 H GLY 19 3.675 -2.812 4.063
99 HA2 GLY 19 1HA GLY 19 2.533 -4.844 3.204
100 HA3 GLY 19 2HA GLY 19 3.488 -5.747 4.371
101 H LYS 20 H LYS 20 1.820 -2.665 4.853
102 HA LYS 20 HA LYS 20 0.363 -3.886 7.081
103 HB2 LYS 20 1HB LYS 20 1.770 -1.674 7.180
104 HB3 LYS 20 2HB LYS 20 0.328 -0.951 6.479
105 HG2 LYS 20 1HG LYS 20 -0.991 -1.549 8.355
106 HG3 LYS 20 2HG LYS 20 0.282 -2.586 9.001
107 HD2 LYS 20 1HD LYS 20 1.695 -0.419 9.048
108 HD3 LYS 20 2HD LYS 20 0.140 0.407 8.917
109 HE2 LYS 20 1HE LYS 20 0.401 0.305 11.199
110 HE3 LYS 20 2HE LYS 20 -0.527 -1.163 10.896
111 HZ1 LYS 20 3HZ LYS 20 1.158 -2.445 11.556
112 HZ2 LYS 20 1HZ LYS 20 1.802 -1.047 12.257
113 HZ3 LYS 20 2HZ LYS 20 2.320 -1.539 10.724
114 H VAL 21 H VAL 21 -1.896 -3.461 7.382
115 HA VAL 21 HA VAL 21 -3.319 -3.018 4.838
116 HB VAL 21 HB VAL 21 -4.218 -4.661 7.210
117 HG11 VAL 21 1HG1 VAL 21 -5.901 -3.412 5.620
118 HG12 VAL 21 2HG1 VAL 21 -5.529 -4.755 4.538
119 HG13 VAL 21 3HG1 VAL 21 -6.201 -5.071 6.138
120 HG21 VAL 21 3HG2 VAL 21 -4.062 -6.377 5.113
121 HG22 VAL 21 1HG2 VAL 21 -2.701 -5.306 4.779
122 HG23 VAL 21 2HG2 VAL 21 -2.794 -6.159 6.320
123 H PHE 22 H PHE 22 -4.867 -1.493 4.738
124 HA PHE 22 HA PHE 22 -5.689 -0.192 7.248
125 HB2 PHE 22 1HB PHE 22 -4.995 1.166 4.635
126 HB3 PHE 22 2HB PHE 22 -5.689 1.976 6.036
127 HD1 PHE 22 HD2 PHE 22 -2.700 0.313 4.699
128 HD2 PHE 22 HD1 PHE 22 -4.356 2.526 7.936
129 HE1 PHE 22 HE2 PHE 22 -0.439 0.695 5.591
130 HE2 PHE 22 HE1 PHE 22 -2.097 2.912 8.833
131 HZ PHE 22 HZ PHE 22 -0.135 1.995 7.660
132 H THR 23 H THR 23 -7.819 0.113 7.497
133 HA THR 23 HA THR 23 -9.687 -1.145 5.852
134 HB THR 23 HB THR 23 -10.292 1.148 7.724
135 HG1 THR 23 HG1 THR 23 -10.039 -1.637 8.292
136 HG21 THR 23 3HG2 THR 23 -12.196 0.540 6.393
137 HG22 THR 23 1HG2 THR 23 -12.432 -0.110 8.015
138 HG23 THR 23 2HG2 THR 23 -11.926 -1.175 6.703
139 H HIS 24 H HIS 24 -8.842 2.298 6.098
140 HA HIS 24 HA HIS 24 -10.509 2.872 3.764
141 HB2 HIS 24 1HB HIS 24 -10.331 4.274 6.010
142 HB3 HIS 24 2HB HIS 24 -8.959 4.997 5.175
143 HD1 HIS 24 HD1 HIS 24 -9.459 6.544 3.197
144 HD2 HIS 24 HD2 HIS 24 -12.855 4.844 4.883
145 HE1 HIS 24 HE1 HIS 24 -11.401 7.797 2.205
146 H LYS 25 H LYS 25 -9.707 3.752 1.868
147 HA LYS 25 HA LYS 25 -7.123 2.917 1.084
148 HB2 LYS 25 1HB LYS 25 -8.977 3.105 -0.504
149 HB3 LYS 25 2HB LYS 25 -9.026 4.846 -0.260
150 HG2 LYS 25 1HG LYS 25 -6.954 5.156 -1.340
151 HG3 LYS 25 2HG LYS 25 -6.591 3.429 -1.300
152 HD2 LYS 25 1HD LYS 25 -8.419 2.995 -2.852
153 HD3 LYS 25 2HD LYS 25 -8.830 4.712 -2.867
154 HE2 LYS 25 1HE LYS 25 -6.498 5.147 -3.709
155 HE3 LYS 25 2HE LYS 25 -6.324 3.404 -3.906
156 HZ1 LYS 25 3HZ LYS 25 -8.410 5.063 -5.217
157 HZ2 LYS 25 1HZ LYS 25 -8.161 3.405 -5.445
158 HZ3 LYS 25 2HZ LYS 25 -6.994 4.514 -5.963
159 H THR 26 H THR 26 -8.472 6.167 1.636
160 HA THR 26 HA THR 26 -6.222 7.676 1.100
161 HB THR 26 HB THR 26 -8.225 8.245 3.293
162 HG1 THR 26 HG1 THR 26 -9.557 8.339 1.647
163 HG21 THR 26 3HG2 THR 26 -7.640 10.647 2.438
164 HG22 THR 26 1HG2 THR 26 -6.158 9.875 1.877
165 HG23 THR 26 2HG2 THR 26 -6.577 9.838 3.589
166 H ASN 27 H ASN 27 -7.196 6.251 4.213
167 HA ASN 27 HA ASN 27 -5.189 7.193 5.833
168 HB2 ASN 27 1HB ASN 27 -6.382 4.411 5.871
169 HB3 ASN 27 2HB ASN 27 -5.523 5.176 7.205
170 HD21 ASN 27 1HD2 ASN 27 -7.534 4.684 8.342
171 HD22 ASN 27 2HD2 ASN 27 -8.836 5.817 8.249
172 H LEU 28 H LEU 28 -5.090 4.377 3.683
173 HA LEU 28 HA LEU 28 -2.527 3.476 4.390
174 HB2 LEU 28 1HB LEU 28 -3.875 1.990 3.180
175 HB3 LEU 28 2HB LEU 28 -4.209 3.181 1.925
176 HG LEU 28 HG LEU 28 -1.706 2.983 1.361
177 HD11 LEU 28 1HD1 LEU 28 -1.393 1.613 3.553
178 HD12 LEU 28 2HD1 LEU 28 -0.498 1.169 2.101
179 HD13 LEU 28 3HD1 LEU 28 -1.937 0.260 2.561
180 HD21 LEU 28 3HD2 LEU 28 -3.078 0.424 0.760
181 HD22 LEU 28 1HD2 LEU 28 -2.252 1.551 -0.317
182 HD23 LEU 28 2HD2 LEU 28 -3.879 1.915 0.261
183 H ILE 29 H ILE 29 -3.562 5.560 1.694
184 HA ILE 29 HA ILE 29 -1.116 6.029 0.515
185 HB ILE 29 HB ILE 29 -3.369 8.012 0.857
186 HG12 ILE 29 1HG1 ILE 29 -2.801 6.339 -1.578
187 HG13 ILE 29 2HG1 ILE 29 -3.790 5.717 -0.262
188 HG21 ILE 29 1HG2 ILE 29 -1.383 9.182 0.212
189 HG22 ILE 29 2HG2 ILE 29 -1.017 7.981 -1.025
190 HG23 ILE 29 3HG2 ILE 29 -2.418 9.036 -1.208
191 HD11 ILE 29 3HD1 ILE 29 -4.537 7.411 -2.413
192 HD12 ILE 29 1HD1 ILE 29 -5.546 6.721 -1.141
193 HD13 ILE 29 2HD1 ILE 29 -4.765 8.285 -0.899
194 H ILE 30 H ILE 30 -2.551 7.644 3.314
195 HA ILE 30 HA ILE 30 -0.558 9.621 3.618
196 HB ILE 30 HB ILE 30 -2.364 8.410 5.715
197 HG12 ILE 30 1HG1 ILE 30 -2.725 11.055 4.322
198 HG13 ILE 30 2HG1 ILE 30 -3.374 9.566 3.642
199 HG21 ILE 30 1HG2 ILE 30 -0.168 9.888 6.224
200 HG22 ILE 30 2HG2 ILE 30 -1.365 11.164 6.010
201 HG23 ILE 30 3HG2 ILE 30 -1.620 9.911 7.224
202 HD11 ILE 30 3HD1 ILE 30 -4.552 11.246 5.541
203 HD12 ILE 30 1HD1 ILE 30 -5.134 9.682 4.971
204 HD13 ILE 30 2HD1 ILE 30 -4.105 9.773 6.401
205 H HIS 31 H HIS 31 -0.902 6.354 4.916
206 HA HIS 31 HA HIS 31 1.314 6.472 6.674
207 HB2 HIS 31 1HB HIS 31 -0.055 4.704 7.208
208 HB3 HIS 31 2HB HIS 31 -0.383 4.310 5.523
209 HD1 HIS 31 HD1 HIS 31 1.694 3.350 8.372
210 HD2 HIS 31 HD2 HIS 31 1.787 2.856 4.248
211 HE1 HIS 31 HE1 HIS 31 3.336 1.492 7.954
212 H GLN 32 H GLN 32 0.955 5.196 3.375
213 HA GLN 32 HA GLN 32 3.449 4.152 2.949
214 HB2 GLN 32 1HB GLN 32 1.597 5.640 1.103
215 HB3 GLN 32 2HB GLN 32 3.122 4.976 0.531
216 HG2 GLN 32 1HG GLN 32 2.445 2.764 0.986
217 HG3 GLN 32 2HG GLN 32 1.057 3.306 1.928
218 HE21 GLN 32 1HE2 GLN 32 2.023 2.116 -0.989
219 HE22 GLN 32 2HE2 GLN 32 0.668 2.587 -1.952
220 H LYS 33 H LYS 33 2.628 7.434 3.484
221 HA LYS 33 HA LYS 33 4.631 8.816 2.155
222 HB2 LYS 33 1HB LYS 33 3.469 9.400 4.886
223 HB3 LYS 33 2HB LYS 33 4.376 10.542 3.902
224 HG2 LYS 33 1HG LYS 33 1.954 9.262 2.741
225 HG3 LYS 33 2HG LYS 33 1.756 10.553 3.929
226 HD2 LYS 33 1HD LYS 33 3.452 11.838 2.449
227 HD3 LYS 33 2HD LYS 33 3.018 10.655 1.214
228 HE2 LYS 33 1HE LYS 33 1.076 12.430 2.689
229 HE3 LYS 33 2HE LYS 33 1.683 12.720 1.059
230 HZ1 LYS 33 3HZ LYS 33 0.350 10.175 1.706
231 HZ2 LYS 33 1HZ LYS 33 0.499 10.953 0.211
232 HZ3 LYS 33 2HZ LYS 33 -0.575 11.551 1.373
233 H ILE 34 H ILE 34 4.785 6.914 5.087
234 HA ILE 34 HA ILE 34 7.266 7.817 6.054
235 HB ILE 34 HB ILE 34 7.333 5.854 7.412
236 HG12 ILE 34 1HG1 ILE 34 5.110 4.680 5.735
237 HG13 ILE 34 2HG1 ILE 34 6.809 4.278 5.509
238 HG21 ILE 34 1HG2 ILE 34 5.715 7.395 8.185
239 HG22 ILE 34 2HG2 ILE 34 4.543 6.884 6.972
240 HG23 ILE 34 3HG2 ILE 34 4.968 5.801 8.297
241 HD11 ILE 34 3HD1 ILE 34 6.670 2.743 7.086
242 HD12 ILE 34 1HD1 ILE 34 6.157 3.958 8.257
243 HD13 ILE 34 2HD1 ILE 34 4.957 3.114 7.278
244 H HIS 35 H HIS 35 6.542 6.157 3.233
245 HA HIS 35 HA HIS 35 9.268 5.055 3.056
246 HB2 HIS 35 1HB HIS 35 6.869 4.267 1.394
247 HB3 HIS 35 2HB HIS 35 8.446 3.482 1.415
248 HD1 HIS 35 HD1 HIS 35 9.067 2.596 4.024
249 HD2 HIS 35 HD2 HIS 35 5.079 2.941 2.909
250 HE1 HIS 35 HE1 HIS 35 7.791 1.143 5.631
251 H THR 36 H THR 36 6.857 7.067 1.512
252 HA THR 36 HA THR 36 7.903 7.474 -0.991
253 HB THR 36 HB THR 36 6.863 9.668 -0.999
254 HG1 THR 36 HG1 THR 36 5.894 10.323 1.119
255 HG21 THR 36 3HG2 THR 36 4.593 9.052 -0.204
256 HG22 THR 36 1HG2 THR 36 5.285 7.631 0.576
257 HG23 THR 36 2HG2 THR 36 5.349 7.793 -1.179
258 H GLY 37 H GLY 37 9.982 7.795 -1.479
259 HA2 GLY 37 1HA GLY 37 11.866 9.025 0.233
260 HA3 GLY 37 2HA GLY 37 12.105 8.671 -1.471
261 H GLU 38 H GLU 38 13.031 10.988 -0.057
262 HA GLU 38 HA GLU 38 11.567 13.057 -1.554
263 HB2 GLU 38 1HB GLU 38 12.006 14.648 0.252
264 HB3 GLU 38 2HB GLU 38 11.063 13.282 0.831
265 HG2 GLU 38 1HG GLU 38 14.021 13.197 1.112
266 HG3 GLU 38 2HG GLU 38 13.088 14.220 2.203
267 H ARG 39 H ARG 39 13.753 11.666 -2.572
268 HA ARG 39 HA ARG 39 15.836 13.751 -2.545
269 HB2 ARG 39 1HB ARG 39 17.493 11.976 -2.997
270 HB3 ARG 39 2HB ARG 39 16.690 11.763 -1.447
271 HG2 ARG 39 1HG ARG 39 15.311 10.014 -2.332
272 HG3 ARG 39 2HG ARG 39 15.918 10.305 -3.964
273 HD2 ARG 39 1HD ARG 39 17.969 9.353 -3.514
274 HD3 ARG 39 2HD ARG 39 17.845 9.656 -1.781
275 HE ARG 39 HE ARG 39 16.797 7.384 -3.237
276 HH11 ARG 39 1HH1 ARG 39 16.753 9.235 -0.290
277 HH12 ARG 39 2HH1 ARG 39 16.123 7.937 0.670
278 HH21 ARG 39 1HH2 ARG 39 15.968 5.667 -1.985
279 HH22 ARG 39 2HH2 ARG 39 15.678 5.908 -0.296
280 HA PRO 40 HA PRO 40 15.313 14.110 -6.890
281 HB2 PRO 40 1HB PRO 40 17.826 14.803 -7.648
282 HB3 PRO 40 2HB PRO 40 16.745 15.904 -6.785
283 HG2 PRO 40 1HG PRO 40 18.982 14.224 -5.720
284 HG3 PRO 40 2HG PRO 40 18.564 15.904 -5.337
285 HD2 PRO 40 1HD PRO 40 17.900 13.834 -3.723
286 HD3 PRO 40 2HD PRO 40 16.892 15.287 -3.874
287 H SER 41 H SER 41 18.352 12.435 -6.049
288 HA SER 41 HA SER 41 18.082 10.767 -8.430
289 HB2 SER 41 1HB SER 41 20.323 11.138 -6.437
290 HB3 SER 41 2HB SER 41 20.368 9.930 -7.721
291 HG SER 41 HG SER 41 20.044 11.712 -9.202
292 H GLY 42 H GLY 42 16.093 10.222 -6.662
293 HA2 GLY 42 1HA GLY 42 16.925 7.908 -5.076
294 HA3 GLY 42 2HA GLY 42 15.348 8.681 -5.033
295 HA PRO 43 HA PRO 43 15.230 4.725 -7.573
296 HB2 PRO 43 1HB PRO 43 13.417 3.427 -6.025
297 HB3 PRO 43 2HB PRO 43 15.160 3.327 -5.751
298 HG2 PRO 43 1HG PRO 43 13.119 5.022 -4.365
299 HG3 PRO 43 2HG PRO 43 14.467 4.101 -3.671
300 HD2 PRO 43 1HD PRO 43 14.588 6.775 -4.083
301 HD3 PRO 43 2HD PRO 43 16.014 5.724 -4.203
302 H SER 44 H SER 44 14.200 6.265 -9.041
303 HA SER 44 HA SER 44 11.268 6.337 -8.780
304 HB2 SER 44 1HB SER 44 12.630 8.521 -8.946
305 HB3 SER 44 2HB SER 44 12.868 8.088 -10.639
306 HG SER 44 HG SER 44 10.351 8.368 -9.352
307 H SER 45 H SER 45 9.986 5.555 -10.388
308 HA SER 45 HA SER 45 11.161 3.688 -12.212
309 HB2 SER 45 1HB SER 45 8.861 3.556 -11.011
310 HB3 SER 45 2HB SER 45 8.289 4.573 -12.333
311 HG SER 45 HG SER 45 9.199 1.927 -12.377
312 H GLY 46 H GLY 46 12.337 4.606 -13.816
313 HA2 GLY 46 1HA GLY 46 12.490 5.423 -16.000
314 HA3 GLY 46 2HA GLY 46 10.859 6.062 -15.850
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -0.647 -32.235 -2.032
2 HA2 GLY 1 1HA GLY 1 -1.428 -29.988 -2.004
3 HA3 GLY 1 2HA GLY 1 -1.285 -30.419 -0.306
4 H SER 2 H SER 2 -0.776 -28.436 0.507
5 HA SER 2 HA SER 2 0.388 -26.498 0.873
6 HB2 SER 2 1HB SER 2 2.785 -26.848 1.250
7 HB3 SER 2 2HB SER 2 1.854 -28.195 1.903
8 HG SER 2 HG SER 2 3.805 -28.657 0.549
9 H SER 3 H SER 3 -0.528 -26.608 -1.741
10 HA SER 3 HA SER 3 1.366 -24.849 -3.030
11 HB2 SER 3 1HB SER 3 2.214 -26.942 -3.871
12 HB3 SER 3 2HB SER 3 0.590 -27.492 -4.282
13 HG SER 3 HG SER 3 0.630 -26.321 -6.047
14 H GLY 4 H GLY 4 0.380 -23.378 -4.332
15 HA2 GLY 4 1HA GLY 4 -1.308 -22.239 -5.399
16 HA3 GLY 4 2HA GLY 4 -2.117 -23.785 -5.612
17 H SER 5 H SER 5 -1.960 -20.872 -3.794
18 HA SER 5 HA SER 5 -3.772 -21.795 -1.730
19 HB2 SER 5 1HB SER 5 -2.272 -19.275 -2.283
20 HB3 SER 5 2HB SER 5 -3.708 -19.178 -1.265
21 HG SER 5 HG SER 5 -2.347 -21.248 -0.410
22 H SER 6 H SER 6 -5.765 -20.499 -1.268
23 HA SER 6 HA SER 6 -7.117 -19.752 -3.779
24 HB2 SER 6 1HB SER 6 -8.145 -21.330 -1.422
25 HB3 SER 6 2HB SER 6 -9.233 -20.556 -2.575
26 HG SER 6 HG SER 6 -8.932 -22.544 -3.397
27 H GLY 7 H GLY 7 -8.996 -18.287 -3.468
28 HA2 GLY 7 1HA GLY 7 -8.249 -15.949 -2.125
29 HA3 GLY 7 2HA GLY 7 -9.858 -16.288 -2.744
30 H THR 8 H THR 8 -7.777 -16.354 0.042
31 HA THR 8 HA THR 8 -10.117 -16.968 1.728
32 HB THR 8 HB THR 8 -8.538 -17.774 3.448
33 HG1 THR 8 HG1 THR 8 -6.744 -16.499 2.195
34 HG21 THR 8 3HG2 THR 8 -8.618 -19.045 0.740
35 HG22 THR 8 1HG2 THR 8 -9.401 -19.551 2.237
36 HG23 THR 8 2HG2 THR 8 -7.665 -19.782 2.028
37 H GLY 9 H GLY 9 -10.877 -15.073 2.454
38 HA2 GLY 9 1HA GLY 9 -10.948 -13.128 3.681
39 HA3 GLY 9 2HA GLY 9 -9.332 -13.509 4.258
40 H GLU 10 H GLU 10 -11.094 -12.178 1.483
41 HA GLU 10 HA GLU 10 -8.849 -11.099 0.170
42 HB2 GLU 10 1HB GLU 10 -11.791 -10.502 0.078
43 HB3 GLU 10 2HB GLU 10 -10.648 -9.523 -0.831
44 HG2 GLU 10 1HG GLU 10 -11.194 -11.043 -2.422
45 HG3 GLU 10 2HG GLU 10 -9.829 -11.877 -1.680
46 H ASN 11 H ASN 11 -7.563 -9.490 0.753
47 HA ASN 11 HA ASN 11 -8.269 -7.770 2.961
48 HB2 ASN 11 1HB ASN 11 -6.004 -6.990 2.868
49 HB3 ASN 11 2HB ASN 11 -5.969 -8.733 2.617
50 HD21 ASN 11 1HD2 ASN 11 -5.409 -9.551 0.617
51 HD22 ASN 11 2HD2 ASN 11 -4.680 -8.580 -0.612
52 HA PRO 12 HA PRO 12 -9.828 -4.398 0.596
53 HB2 PRO 12 1HB PRO 12 -9.401 -2.398 2.381
54 HB3 PRO 12 2HB PRO 12 -10.679 -3.602 2.577
55 HG2 PRO 12 1HG PRO 12 -7.971 -3.491 3.847
56 HG3 PRO 12 2HG PRO 12 -9.534 -3.897 4.579
57 HD2 PRO 12 1HD PRO 12 -7.738 -5.783 3.838
58 HD3 PRO 12 2HD PRO 12 -9.491 -6.057 3.775
59 H PHE 13 H PHE 13 -6.812 -3.638 2.353
60 HA PHE 13 HA PHE 13 -5.534 -2.823 -0.108
61 HB2 PHE 13 1HB PHE 13 -6.011 -0.825 2.113
62 HB3 PHE 13 2HB PHE 13 -4.962 -0.560 0.724
63 HD1 PHE 13 HD2 PHE 13 -5.909 -0.274 -1.511
64 HD2 PHE 13 HD1 PHE 13 -8.390 -0.697 1.922
65 HE1 PHE 13 HE2 PHE 13 -7.825 0.584 -2.794
66 HE2 PHE 13 HE1 PHE 13 -10.310 0.160 0.644
67 HZ PHE 13 HZ PHE 13 -10.029 0.803 -1.716
68 H ILE 14 H ILE 14 -3.261 -2.560 0.098
69 HA ILE 14 HA ILE 14 -2.066 -3.163 2.689
70 HB ILE 14 HB ILE 14 -1.554 -4.859 0.243
71 HG12 ILE 14 1HG1 ILE 14 -2.684 -5.655 2.933
72 HG13 ILE 14 2HG1 ILE 14 -3.669 -5.331 1.509
73 HG21 ILE 14 1HG2 ILE 14 0.477 -5.131 1.127
74 HG22 ILE 14 2HG2 ILE 14 0.015 -4.343 2.635
75 HG23 ILE 14 3HG2 ILE 14 -0.324 -6.057 2.396
76 HD11 ILE 14 3HD1 ILE 14 -2.912 -7.227 0.407
77 HD12 ILE 14 1HD1 ILE 14 -1.492 -7.380 1.441
78 HD13 ILE 14 2HD1 ILE 14 -3.093 -7.760 2.078
79 H CYS 15 H CYS 15 -0.124 -2.210 2.980
80 HA CYS 15 HA CYS 15 0.741 -0.226 1.169
81 HB2 CYS 15 1HB CYS 15 1.087 -0.257 3.681
82 HB3 CYS 15 2HB CYS 15 2.386 -1.414 3.405
83 H SER 16 H SER 16 2.050 -0.328 -0.533
84 HA SER 16 HA SER 16 3.246 -2.862 -1.254
85 HB2 SER 16 1HB SER 16 2.936 -0.214 -2.653
86 HB3 SER 16 2HB SER 16 3.969 -1.480 -3.314
87 HG SER 16 HG SER 16 1.187 -1.627 -2.781
88 H GLU 17 H GLU 17 4.269 -1.149 1.013
89 HA GLU 17 HA GLU 17 7.065 -0.981 0.094
90 HB2 GLU 17 1HB GLU 17 5.546 0.811 1.978
91 HB3 GLU 17 2HB GLU 17 7.302 0.745 1.976
92 HG2 GLU 17 1HG GLU 17 5.611 1.435 -0.415
93 HG3 GLU 17 2HG GLU 17 6.382 2.610 0.650
94 H CYS 18 H CYS 18 5.052 -1.338 3.014
95 HA CYS 18 HA CYS 18 7.150 -3.057 4.155
96 HB2 CYS 18 1HB CYS 18 5.915 -2.611 6.336
97 HB3 CYS 18 2HB CYS 18 6.760 -1.240 5.625
98 H GLY 19 H GLY 19 3.599 -2.745 4.009
99 HA2 GLY 19 1HA GLY 19 2.456 -4.776 3.091
100 HA3 GLY 19 2HA GLY 19 3.452 -5.690 4.215
101 H LYS 20 H LYS 20 1.777 -2.631 4.802
102 HA LYS 20 HA LYS 20 0.345 -3.936 7.007
103 HB2 LYS 20 1HB LYS 20 1.839 -1.766 7.191
104 HB3 LYS 20 2HB LYS 20 0.376 -0.972 6.625
105 HG2 LYS 20 1HG LYS 20 -0.864 -1.898 8.513
106 HG3 LYS 20 2HG LYS 20 0.602 -2.702 9.080
107 HD2 LYS 20 1HD LYS 20 1.689 -0.528 9.357
108 HD3 LYS 20 2HD LYS 20 0.230 0.279 8.777
109 HE2 LYS 20 1HE LYS 20 -0.976 -0.256 10.688
110 HE3 LYS 20 2HE LYS 20 0.101 -1.584 11.116
111 HZ1 LYS 20 3HZ LYS 20 1.472 -0.218 12.212
112 HZ2 LYS 20 1HZ LYS 20 0.166 0.857 12.234
113 HZ3 LYS 20 2HZ LYS 20 1.367 1.010 11.053
114 H VAL 21 H VAL 21 -1.847 -3.973 7.127
115 HA VAL 21 HA VAL 21 -3.296 -3.151 4.721
116 HB VAL 21 HB VAL 21 -4.186 -4.904 7.016
117 HG11 VAL 21 1HG1 VAL 21 -6.185 -5.293 5.891
118 HG12 VAL 21 2HG1 VAL 21 -5.937 -3.559 5.683
119 HG13 VAL 21 3HG1 VAL 21 -5.561 -4.668 4.364
120 HG21 VAL 21 3HG2 VAL 21 -3.277 -6.640 5.958
121 HG22 VAL 21 1HG2 VAL 21 -4.003 -6.162 4.423
122 HG23 VAL 21 2HG2 VAL 21 -2.451 -5.483 4.914
123 H PHE 22 H PHE 22 -4.860 -1.628 4.707
124 HA PHE 22 HA PHE 22 -5.530 -0.351 7.277
125 HB2 PHE 22 1HB PHE 22 -5.042 0.942 4.589
126 HB3 PHE 22 2HB PHE 22 -5.753 1.784 5.962
127 HD1 PHE 22 HD2 PHE 22 -2.714 0.009 4.817
128 HD2 PHE 22 HD1 PHE 22 -4.408 2.711 7.636
129 HE1 PHE 22 HE2 PHE 22 -0.461 0.556 5.642
130 HE2 PHE 22 HE1 PHE 22 -2.157 3.263 8.465
131 HZ PHE 22 HZ PHE 22 -0.180 2.184 7.468
132 H THR 23 H THR 23 -7.582 1.008 7.078
133 HA THR 23 HA THR 23 -9.671 -0.718 6.097
134 HB THR 23 HB THR 23 -9.934 2.003 7.389
135 HG1 THR 23 HG1 THR 23 -10.171 0.836 9.315
136 HG21 THR 23 3HG2 THR 23 -11.947 -0.236 7.303
137 HG22 THR 23 1HG2 THR 23 -11.910 1.061 6.110
138 HG23 THR 23 2HG2 THR 23 -12.198 1.434 7.809
139 H HIS 24 H HIS 24 -8.819 2.705 5.551
140 HA HIS 24 HA HIS 24 -10.118 2.500 2.913
141 HB2 HIS 24 1HB HIS 24 -10.195 5.139 3.306
142 HB3 HIS 24 2HB HIS 24 -11.473 4.070 3.877
143 HD1 HIS 24 HD1 HIS 24 -8.980 6.490 5.030
144 HD2 HIS 24 HD2 HIS 24 -11.297 3.478 6.708
145 HE1 HIS 24 HE1 HIS 24 -8.921 6.899 7.510
146 H LYS 25 H LYS 25 -9.019 3.210 1.148
147 HA LYS 25 HA LYS 25 -6.316 3.141 0.974
148 HB2 LYS 25 1HB LYS 25 -6.511 4.499 -1.096
149 HB3 LYS 25 2HB LYS 25 -7.697 3.204 -1.006
150 HG2 LYS 25 1HG LYS 25 -9.303 4.958 -0.097
151 HG3 LYS 25 2HG LYS 25 -8.120 6.150 -0.639
152 HD2 LYS 25 1HD LYS 25 -8.275 4.773 -2.885
153 HD3 LYS 25 2HD LYS 25 -9.853 4.325 -2.231
154 HE2 LYS 25 1HE LYS 25 -10.552 6.590 -2.137
155 HE3 LYS 25 2HE LYS 25 -8.918 7.178 -2.444
156 HZ1 LYS 25 3HZ LYS 25 -10.813 5.930 -4.329
157 HZ2 LYS 25 1HZ LYS 25 -9.151 5.920 -4.645
158 HZ3 LYS 25 2HZ LYS 25 -9.971 7.389 -4.479
159 H THR 26 H THR 26 -8.200 6.153 1.284
160 HA THR 26 HA THR 26 -6.317 8.063 1.337
161 HB THR 26 HB THR 26 -8.445 7.913 3.477
162 HG1 THR 26 HG1 THR 26 -9.479 7.615 1.523
163 HG21 THR 26 3HG2 THR 26 -6.481 9.815 3.003
164 HG22 THR 26 1HG2 THR 26 -7.954 10.044 3.944
165 HG23 THR 26 2HG2 THR 26 -7.921 10.485 2.237
166 H ASN 27 H ASN 27 -7.154 6.088 4.184
167 HA ASN 27 HA ASN 27 -5.257 7.169 5.927
168 HB2 ASN 27 1HB ASN 27 -7.240 5.450 6.291
169 HB3 ASN 27 2HB ASN 27 -5.945 4.269 6.118
170 HD21 ASN 27 1HD2 ASN 27 -3.898 5.019 7.416
171 HD22 ASN 27 2HD2 ASN 27 -4.221 5.441 9.060
172 H LEU 28 H LEU 28 -5.043 4.317 3.816
173 HA LEU 28 HA LEU 28 -2.463 3.517 4.523
174 HB2 LEU 28 1HB LEU 28 -3.644 1.967 3.278
175 HB3 LEU 28 2HB LEU 28 -4.165 3.165 2.095
176 HG LEU 28 HG LEU 28 -1.707 3.231 1.363
177 HD11 LEU 28 1HD1 LEU 28 -1.603 0.498 2.586
178 HD12 LEU 28 2HD1 LEU 28 -1.031 1.918 3.463
179 HD13 LEU 28 3HD1 LEU 28 -0.289 1.474 1.926
180 HD21 LEU 28 3HD2 LEU 28 -2.035 1.046 0.072
181 HD22 LEU 28 1HD2 LEU 28 -3.249 2.308 -0.131
182 HD23 LEU 28 2HD2 LEU 28 -3.579 0.928 0.917
183 H ILE 29 H ILE 29 -3.497 5.561 1.793
184 HA ILE 29 HA ILE 29 -1.057 6.127 0.671
185 HB ILE 29 HB ILE 29 -3.366 8.044 1.014
186 HG12 ILE 29 1HG1 ILE 29 -2.697 6.400 -1.421
187 HG13 ILE 29 2HG1 ILE 29 -3.741 5.781 -0.146
188 HG21 ILE 29 1HG2 ILE 29 -1.116 9.038 0.403
189 HG22 ILE 29 2HG2 ILE 29 -1.239 8.137 -1.107
190 HG23 ILE 29 3HG2 ILE 29 -2.445 9.362 -0.711
191 HD11 ILE 29 3HD1 ILE 29 -5.476 7.027 -0.798
192 HD12 ILE 29 1HD1 ILE 29 -4.472 8.437 -1.134
193 HD13 ILE 29 2HD1 ILE 29 -4.596 7.139 -2.322
194 H ILE 30 H ILE 30 -2.564 7.675 3.471
195 HA ILE 30 HA ILE 30 -0.636 9.698 3.831
196 HB ILE 30 HB ILE 30 -2.443 8.379 5.859
197 HG12 ILE 30 1HG1 ILE 30 -2.736 11.063 4.504
198 HG13 ILE 30 2HG1 ILE 30 -3.492 9.593 3.899
199 HG21 ILE 30 1HG2 ILE 30 -2.002 10.261 7.304
200 HG22 ILE 30 2HG2 ILE 30 -0.481 9.471 6.890
201 HG23 ILE 30 3HG2 ILE 30 -0.935 10.979 6.097
202 HD11 ILE 30 3HD1 ILE 30 -3.948 10.602 6.686
203 HD12 ILE 30 1HD1 ILE 30 -4.925 11.120 5.312
204 HD13 ILE 30 2HD1 ILE 30 -4.889 9.419 5.778
205 H HIS 31 H HIS 31 -0.861 6.391 5.044
206 HA HIS 31 HA HIS 31 1.392 6.580 6.775
207 HB2 HIS 31 1HB HIS 31 0.077 4.811 7.408
208 HB3 HIS 31 2HB HIS 31 -0.348 4.394 5.751
209 HD1 HIS 31 HD1 HIS 31 1.713 3.310 8.503
210 HD2 HIS 31 HD2 HIS 31 1.921 3.079 4.360
211 HE1 HIS 31 HE1 HIS 31 3.371 1.483 8.013
212 H GLN 32 H GLN 32 0.924 5.280 3.504
213 HA GLN 32 HA GLN 32 3.399 4.211 3.010
214 HB2 GLN 32 1HB GLN 32 1.590 5.762 1.157
215 HB3 GLN 32 2HB GLN 32 3.014 4.889 0.608
216 HG2 GLN 32 1HG GLN 32 2.077 2.800 1.352
217 HG3 GLN 32 2HG GLN 32 0.692 3.635 2.052
218 HE21 GLN 32 1HE2 GLN 32 0.487 1.573 0.178
219 HE22 GLN 32 2HE2 GLN 32 -0.190 2.219 -1.275
220 H LYS 33 H LYS 33 2.607 7.505 3.534
221 HA LYS 33 HA LYS 33 4.596 8.847 2.133
222 HB2 LYS 33 1HB LYS 33 3.382 9.472 4.829
223 HB3 LYS 33 2HB LYS 33 4.400 10.586 3.927
224 HG2 LYS 33 1HG LYS 33 2.668 10.221 2.027
225 HG3 LYS 33 2HG LYS 33 1.627 9.656 3.336
226 HD2 LYS 33 1HD LYS 33 2.116 11.810 4.526
227 HD3 LYS 33 2HD LYS 33 2.930 12.361 3.060
228 HE2 LYS 33 1HE LYS 33 0.053 11.468 3.212
229 HE3 LYS 33 2HE LYS 33 0.590 13.147 3.231
230 HZ1 LYS 33 3HZ LYS 33 -0.113 11.930 1.016
231 HZ2 LYS 33 1HZ LYS 33 1.514 11.466 1.030
232 HZ3 LYS 33 2HZ LYS 33 1.102 13.107 1.038
233 H ILE 34 H ILE 34 4.783 6.978 5.075
234 HA ILE 34 HA ILE 34 7.266 7.902 6.020
235 HB ILE 34 HB ILE 34 7.347 5.961 7.400
236 HG12 ILE 34 1HG1 ILE 34 5.139 4.731 5.745
237 HG13 ILE 34 2HG1 ILE 34 6.843 4.364 5.501
238 HG21 ILE 34 1HG2 ILE 34 4.677 7.192 6.956
239 HG22 ILE 34 2HG2 ILE 34 4.798 5.828 8.066
240 HG23 ILE 34 3HG2 ILE 34 5.748 7.285 8.354
241 HD11 ILE 34 3HD1 ILE 34 5.011 3.240 7.365
242 HD12 ILE 34 1HD1 ILE 34 6.685 2.791 7.040
243 HD13 ILE 34 2HD1 ILE 34 6.322 4.027 8.245
244 H HIS 35 H HIS 35 6.560 6.313 3.184
245 HA HIS 35 HA HIS 35 9.253 5.131 3.020
246 HB2 HIS 35 1HB HIS 35 6.839 4.488 1.315
247 HB3 HIS 35 2HB HIS 35 8.399 3.673 1.270
248 HD1 HIS 35 HD1 HIS 35 9.035 2.648 3.831
249 HD2 HIS 35 HD2 HIS 35 5.044 3.101 2.766
250 HE1 HIS 35 HE1 HIS 35 7.752 1.130 5.371
251 H THR 36 H THR 36 6.935 7.256 1.472
252 HA THR 36 HA THR 36 8.389 7.717 -0.910
253 HB THR 36 HB THR 36 6.982 9.739 -1.158
254 HG1 THR 36 HG1 THR 36 6.478 9.177 1.537
255 HG21 THR 36 3HG2 THR 36 4.892 7.939 -0.287
256 HG22 THR 36 1HG2 THR 36 6.167 7.072 -1.141
257 HG23 THR 36 2HG2 THR 36 5.346 8.424 -1.921
258 H GLY 37 H GLY 37 8.269 9.432 2.195
259 HA2 GLY 37 1HA GLY 37 9.717 11.680 1.703
260 HA3 GLY 37 2HA GLY 37 9.870 10.761 3.193
261 H GLU 38 H GLU 38 11.139 8.500 2.454
262 HA GLU 38 HA GLU 38 13.779 9.518 1.753
263 HB2 GLU 38 1HB GLU 38 12.802 6.947 2.977
264 HB3 GLU 38 2HB GLU 38 14.459 7.135 2.422
265 HG2 GLU 38 1HG GLU 38 14.918 8.800 4.011
266 HG3 GLU 38 2HG GLU 38 13.209 9.035 4.376
267 H ARG 39 H ARG 39 13.469 9.806 -0.494
268 HA ARG 39 HA ARG 39 13.392 7.283 -2.015
269 HB2 ARG 39 1HB ARG 39 12.430 8.625 -3.897
270 HB3 ARG 39 2HB ARG 39 11.372 8.476 -2.500
271 HG2 ARG 39 1HG ARG 39 11.876 10.710 -1.801
272 HG3 ARG 39 2HG ARG 39 13.114 10.867 -3.049
273 HD2 ARG 39 1HD ARG 39 10.162 10.482 -3.531
274 HD3 ARG 39 2HD ARG 39 11.038 12.005 -3.678
275 HE ARG 39 HE ARG 39 11.986 9.805 -5.321
276 HH11 ARG 39 1HH1 ARG 39 10.062 12.698 -5.092
277 HH12 ARG 39 2HH1 ARG 39 10.031 12.968 -6.803
278 HH21 ARG 39 1HH2 ARG 39 11.951 10.150 -7.575
279 HH22 ARG 39 2HH2 ARG 39 11.105 11.518 -8.215
280 HA PRO 40 HA PRO 40 17.445 9.488 -2.700
281 HB2 PRO 40 1HB PRO 40 18.994 7.303 -2.256
282 HB3 PRO 40 2HB PRO 40 18.463 8.383 -0.962
283 HG2 PRO 40 1HG PRO 40 17.336 5.742 -1.807
284 HG3 PRO 40 2HG PRO 40 17.628 6.362 -0.171
285 HD2 PRO 40 1HD PRO 40 15.174 6.370 -1.315
286 HD3 PRO 40 2HD PRO 40 15.696 7.619 -0.167
287 H SER 41 H SER 41 16.386 6.244 -3.684
288 HA SER 41 HA SER 41 17.430 6.811 -6.378
289 HB2 SER 41 1HB SER 41 18.942 5.205 -5.427
290 HB3 SER 41 2HB SER 41 17.608 4.219 -4.830
291 HG SER 41 HG SER 41 18.425 3.332 -6.735
292 H GLY 42 H GLY 42 15.485 7.354 -7.285
293 HA2 GLY 42 1HA GLY 42 13.092 5.847 -6.834
294 HA3 GLY 42 2HA GLY 42 13.316 7.113 -8.032
295 HA PRO 43 HA PRO 43 13.092 2.832 -10.014
296 HB2 PRO 43 1HB PRO 43 10.761 3.211 -11.354
297 HB3 PRO 43 2HB PRO 43 10.830 2.554 -9.714
298 HG2 PRO 43 1HG PRO 43 10.236 5.347 -10.612
299 HG3 PRO 43 2HG PRO 43 9.434 4.380 -9.361
300 HD2 PRO 43 1HD PRO 43 11.267 6.287 -8.778
301 HD3 PRO 43 2HD PRO 43 11.068 4.821 -7.796
302 H SER 44 H SER 44 14.799 3.349 -11.360
303 HA SER 44 HA SER 44 14.493 5.345 -13.431
304 HB2 SER 44 1HB SER 44 16.725 3.531 -12.560
305 HB3 SER 44 2HB SER 44 16.814 4.379 -14.104
306 HG SER 44 HG SER 44 16.091 6.197 -12.409
307 H SER 45 H SER 45 15.035 4.786 -15.712
308 HA SER 45 HA SER 45 13.612 2.334 -16.467
309 HB2 SER 45 1HB SER 45 12.606 4.262 -17.447
310 HB3 SER 45 2HB SER 45 14.168 4.901 -17.958
311 HG SER 45 HG SER 45 12.526 3.184 -19.237
312 H GLY 46 H GLY 46 14.544 0.750 -17.656
313 HA2 GLY 46 1HA GLY 46 17.411 0.712 -17.816
314 HA3 GLY 46 2HA GLY 46 16.320 -0.560 -18.344
Start of MODEL 9
1 H1 GLY 1 H GLY 1 10.260 -29.449 -3.282
2 HA2 GLY 1 1HA GLY 1 9.760 -30.657 -0.683
3 HA3 GLY 1 2HA GLY 1 10.623 -29.157 -0.989
4 H SER 2 H SER 2 9.634 -27.432 -0.210
5 HA SER 2 HA SER 2 7.025 -27.432 0.804
6 HB2 SER 2 1HB SER 2 8.852 -25.148 0.037
7 HB3 SER 2 2HB SER 2 7.310 -24.922 0.862
8 HG SER 2 HG SER 2 9.064 -25.037 2.329
9 H SER 3 H SER 3 5.195 -27.573 -0.296
10 HA SER 3 HA SER 3 5.039 -26.911 -3.085
11 HB2 SER 3 1HB SER 3 3.784 -28.793 -1.837
12 HB3 SER 3 2HB SER 3 2.669 -27.523 -1.330
13 HG SER 3 HG SER 3 1.997 -28.555 -3.266
14 H GLY 4 H GLY 4 3.845 -25.276 -4.059
15 HA2 GLY 4 1HA GLY 4 3.934 -22.746 -3.091
16 HA3 GLY 4 2HA GLY 4 2.708 -23.272 -4.235
17 H SER 5 H SER 5 3.158 -21.809 -1.332
18 HA SER 5 HA SER 5 0.574 -22.740 -0.268
19 HB2 SER 5 1HB SER 5 2.852 -21.355 1.169
20 HB3 SER 5 2HB SER 5 1.330 -21.848 1.910
21 HG SER 5 HG SER 5 3.531 -23.304 1.487
22 H SER 6 H SER 6 -0.983 -21.440 -1.009
23 HA SER 6 HA SER 6 -0.546 -18.530 -0.836
24 HB2 SER 6 1HB SER 6 -2.326 -20.005 -2.792
25 HB3 SER 6 2HB SER 6 -2.091 -18.258 -2.717
26 HG SER 6 HG SER 6 0.231 -18.829 -3.038
27 H GLY 7 H GLY 7 -2.595 -17.272 -0.559
28 HA2 GLY 7 1HA GLY 7 -5.052 -18.078 0.170
29 HA3 GLY 7 2HA GLY 7 -4.117 -18.457 1.608
30 H THR 8 H THR 8 -5.768 -16.045 -0.114
31 HA THR 8 HA THR 8 -4.769 -13.992 1.752
32 HB THR 8 HB THR 8 -5.430 -12.301 0.040
33 HG1 THR 8 HG1 THR 8 -6.636 -13.061 -1.523
34 HG21 THR 8 3HG2 THR 8 -3.090 -13.241 0.298
35 HG22 THR 8 1HG2 THR 8 -3.459 -12.509 -1.263
36 HG23 THR 8 2HG2 THR 8 -3.446 -14.265 -1.093
37 H GLY 9 H GLY 9 -6.297 -12.462 2.544
38 HA2 GLY 9 1HA GLY 9 -9.030 -13.554 2.616
39 HA3 GLY 9 2HA GLY 9 -8.316 -12.517 3.842
40 H GLU 10 H GLU 10 -8.668 -12.267 0.303
41 HA GLU 10 HA GLU 10 -9.120 -10.367 -0.941
42 HB2 GLU 10 1HB GLU 10 -11.285 -11.604 -0.461
43 HB3 GLU 10 2HB GLU 10 -11.600 -10.395 0.775
44 HG2 GLU 10 1HG GLU 10 -12.782 -9.680 -1.112
45 HG3 GLU 10 2HG GLU 10 -11.346 -8.660 -1.047
46 H ASN 11 H ASN 11 -7.438 -9.589 1.085
47 HA ASN 11 HA ASN 11 -8.213 -7.652 2.859
48 HB2 ASN 11 1HB ASN 11 -5.713 -7.964 1.217
49 HB3 ASN 11 2HB ASN 11 -5.902 -6.603 2.319
50 HD21 ASN 11 1HD2 ASN 11 -6.490 -7.180 4.575
51 HD22 ASN 11 2HD2 ASN 11 -5.757 -8.589 5.256
52 HA PRO 12 HA PRO 12 -9.803 -4.283 0.518
53 HB2 PRO 12 1HB PRO 12 -9.360 -2.271 2.286
54 HB3 PRO 12 2HB PRO 12 -10.627 -3.483 2.508
55 HG2 PRO 12 1HG PRO 12 -7.900 -3.349 3.735
56 HG3 PRO 12 2HG PRO 12 -9.449 -3.761 4.493
57 HD2 PRO 12 1HD PRO 12 -7.653 -5.640 3.733
58 HD3 PRO 12 2HD PRO 12 -9.405 -5.925 3.699
59 H PHE 13 H PHE 13 -6.763 -3.500 2.222
60 HA PHE 13 HA PHE 13 -5.493 -2.734 -0.245
61 HB2 PHE 13 1HB PHE 13 -5.770 -0.590 1.858
62 HB3 PHE 13 2HB PHE 13 -5.135 -0.430 0.224
63 HD1 PHE 13 HD2 PHE 13 -6.641 -0.378 -1.696
64 HD2 PHE 13 HD1 PHE 13 -8.124 -0.572 2.289
65 HE1 PHE 13 HE2 PHE 13 -8.870 0.289 -2.496
66 HE2 PHE 13 HE1 PHE 13 -10.356 0.094 1.495
67 HZ PHE 13 HZ PHE 13 -10.731 0.527 -0.900
68 H ILE 14 H ILE 14 -3.261 -2.648 -0.087
69 HA ILE 14 HA ILE 14 -2.081 -3.025 2.573
70 HB ILE 14 HB ILE 14 -1.533 -4.785 0.181
71 HG12 ILE 14 1HG1 ILE 14 -2.548 -5.515 2.934
72 HG13 ILE 14 2HG1 ILE 14 -3.590 -5.277 1.535
73 HG21 ILE 14 1HG2 ILE 14 0.534 -4.251 1.350
74 HG22 ILE 14 2HG2 ILE 14 -0.192 -4.736 2.881
75 HG23 ILE 14 3HG2 ILE 14 0.084 -5.935 1.618
76 HD11 ILE 14 3HD1 ILE 14 -2.640 -7.148 0.418
77 HD12 ILE 14 1HD1 ILE 14 -1.374 -7.304 1.635
78 HD13 ILE 14 2HD1 ILE 14 -3.050 -7.651 2.058
79 H CYS 15 H CYS 15 0.021 -2.282 2.804
80 HA CYS 15 HA CYS 15 0.826 -0.271 0.912
81 HB2 CYS 15 1HB CYS 15 1.024 -0.040 3.413
82 HB3 CYS 15 2HB CYS 15 2.328 -1.221 3.355
83 H SER 16 H SER 16 2.161 -0.535 -0.743
84 HA SER 16 HA SER 16 3.506 -3.064 -1.127
85 HB2 SER 16 1HB SER 16 2.305 -1.596 -2.918
86 HB3 SER 16 2HB SER 16 3.823 -0.699 -2.953
87 HG SER 16 HG SER 16 4.336 -3.325 -3.049
88 H GLU 17 H GLU 17 4.477 -1.576 1.081
89 HA GLU 17 HA GLU 17 7.249 -1.165 0.202
90 HB2 GLU 17 1HB GLU 17 5.544 0.691 1.820
91 HB3 GLU 17 2HB GLU 17 7.278 0.636 2.102
92 HG2 GLU 17 1HG GLU 17 6.280 0.969 -0.681
93 HG3 GLU 17 2HG GLU 17 6.239 2.345 0.419
94 H CYS 18 H CYS 18 5.119 -1.543 3.027
95 HA CYS 18 HA CYS 18 7.250 -3.123 4.312
96 HB2 CYS 18 1HB CYS 18 6.075 -2.546 6.464
97 HB3 CYS 18 2HB CYS 18 6.814 -1.179 5.637
98 H GLY 19 H GLY 19 3.707 -2.832 4.057
99 HA2 GLY 19 1HA GLY 19 2.580 -4.917 3.271
100 HA3 GLY 19 2HA GLY 19 3.556 -5.755 4.468
101 H LYS 20 H LYS 20 1.785 -2.695 4.746
102 HA LYS 20 HA LYS 20 0.348 -3.843 7.039
103 HB2 LYS 20 1HB LYS 20 1.816 -1.637 7.073
104 HB3 LYS 20 2HB LYS 20 0.336 -0.915 6.455
105 HG2 LYS 20 1HG LYS 20 -0.882 -1.759 8.404
106 HG3 LYS 20 2HG LYS 20 0.613 -2.461 9.026
107 HD2 LYS 20 1HD LYS 20 1.592 -0.325 9.340
108 HD3 LYS 20 2HD LYS 20 0.322 0.471 8.406
109 HE2 LYS 20 1HE LYS 20 -1.312 -0.139 10.130
110 HE3 LYS 20 2HE LYS 20 -0.033 -0.915 11.063
111 HZ1 LYS 20 3HZ LYS 20 0.082 1.943 10.301
112 HZ2 LYS 20 1HZ LYS 20 0.992 1.137 11.478
113 HZ3 LYS 20 2HZ LYS 20 -0.657 1.420 11.730
114 H VAL 21 H VAL 21 -1.891 -3.526 7.274
115 HA VAL 21 HA VAL 21 -3.288 -2.962 4.742
116 HB VAL 21 HB VAL 21 -4.164 -4.704 7.050
117 HG11 VAL 21 1HG1 VAL 21 -5.897 -5.319 5.132
118 HG12 VAL 21 2HG1 VAL 21 -6.195 -4.018 6.286
119 HG13 VAL 21 3HG1 VAL 21 -5.586 -3.645 4.673
120 HG21 VAL 21 3HG2 VAL 21 -3.905 -5.853 4.367
121 HG22 VAL 21 1HG2 VAL 21 -2.384 -5.323 5.085
122 HG23 VAL 21 2HG2 VAL 21 -3.397 -6.493 5.930
123 H PHE 22 H PHE 22 -5.030 -1.591 4.711
124 HA PHE 22 HA PHE 22 -5.744 -0.267 7.238
125 HB2 PHE 22 1HB PHE 22 -5.208 1.089 4.587
126 HB3 PHE 22 2HB PHE 22 -5.872 1.889 6.008
127 HD1 PHE 22 HD2 PHE 22 -2.891 0.157 4.681
128 HD2 PHE 22 HD1 PHE 22 -4.476 2.662 7.735
129 HE1 PHE 22 HE2 PHE 22 -0.610 0.623 5.477
130 HE2 PHE 22 HE1 PHE 22 -2.198 3.133 8.536
131 HZ PHE 22 HZ PHE 22 -0.261 2.112 7.408
132 H THR 23 H THR 23 -7.860 0.616 7.327
133 HA THR 23 HA THR 23 -9.790 -0.925 5.865
134 HB THR 23 HB THR 23 -10.393 1.408 7.680
135 HG1 THR 23 HG1 THR 23 -10.357 -1.231 8.636
136 HG21 THR 23 3HG2 THR 23 -12.360 0.709 6.605
137 HG22 THR 23 1HG2 THR 23 -12.399 -0.113 8.164
138 HG23 THR 23 2HG2 THR 23 -11.919 -0.995 6.714
139 H HIS 24 H HIS 24 -8.725 2.441 5.892
140 HA HIS 24 HA HIS 24 -10.397 2.919 3.512
141 HB2 HIS 24 1HB HIS 24 -10.682 4.272 5.781
142 HB3 HIS 24 2HB HIS 24 -9.339 5.199 5.119
143 HD1 HIS 24 HD1 HIS 24 -9.806 6.626 3.015
144 HD2 HIS 24 HD2 HIS 24 -13.129 4.594 4.462
145 HE1 HIS 24 HE1 HIS 24 -11.781 7.639 1.834
146 H LYS 25 H LYS 25 -9.382 3.362 1.667
147 HA LYS 25 HA LYS 25 -6.685 3.081 1.251
148 HB2 LYS 25 1HB LYS 25 -8.402 3.099 -0.534
149 HB3 LYS 25 2HB LYS 25 -8.550 4.842 -0.352
150 HG2 LYS 25 1HG LYS 25 -6.432 5.236 -1.245
151 HG3 LYS 25 2HG LYS 25 -5.919 3.564 -1.002
152 HD2 LYS 25 1HD LYS 25 -7.190 2.790 -2.807
153 HD3 LYS 25 2HD LYS 25 -8.190 4.244 -2.842
154 HE2 LYS 25 1HE LYS 25 -6.823 4.658 -4.627
155 HE3 LYS 25 2HE LYS 25 -5.880 5.409 -3.341
156 HZ1 LYS 25 3HZ LYS 25 -5.409 2.582 -3.964
157 HZ2 LYS 25 1HZ LYS 25 -4.334 3.748 -3.375
158 HZ3 LYS 25 2HZ LYS 25 -4.778 3.754 -5.007
159 H THR 26 H THR 26 -8.468 6.046 1.965
160 HA THR 26 HA THR 26 -6.542 7.959 1.526
161 HB THR 26 HB THR 26 -8.975 8.215 2.405
162 HG1 THR 26 HG1 THR 26 -7.231 10.027 3.654
163 HG21 THR 26 3HG2 THR 26 -7.486 8.334 5.027
164 HG22 THR 26 1HG2 THR 26 -8.499 6.979 4.530
165 HG23 THR 26 2HG2 THR 26 -9.213 8.575 4.765
166 H ASN 27 H ASN 27 -6.931 5.872 4.358
167 HA ASN 27 HA ASN 27 -4.849 7.063 5.876
168 HB2 ASN 27 1HB ASN 27 -6.490 4.587 6.062
169 HB3 ASN 27 2HB ASN 27 -4.978 4.621 6.964
170 HD21 ASN 27 1HD2 ASN 27 -5.342 5.102 8.995
171 HD22 ASN 27 2HD2 ASN 27 -6.450 6.292 9.582
172 H LEU 28 H LEU 28 -4.985 4.333 3.643
173 HA LEU 28 HA LEU 28 -2.375 3.371 4.098
174 HB2 LEU 28 1HB LEU 28 -3.733 1.872 2.992
175 HB3 LEU 28 2HB LEU 28 -4.375 3.099 1.903
176 HG LEU 28 HG LEU 28 -1.997 3.112 0.889
177 HD11 LEU 28 1HD1 LEU 28 -0.813 1.842 2.507
178 HD12 LEU 28 2HD1 LEU 28 -0.931 0.847 1.056
179 HD13 LEU 28 3HD1 LEU 28 -1.988 0.528 2.431
180 HD21 LEU 28 3HD2 LEU 28 -3.124 2.149 -0.760
181 HD22 LEU 28 1HD2 LEU 28 -4.344 1.595 0.386
182 HD23 LEU 28 2HD2 LEU 28 -2.946 0.581 0.028
183 H ILE 29 H ILE 29 -3.671 5.701 1.766
184 HA ILE 29 HA ILE 29 -1.303 6.126 0.319
185 HB ILE 29 HB ILE 29 -3.584 8.041 0.819
186 HG12 ILE 29 1HG1 ILE 29 -3.067 6.356 -1.630
187 HG13 ILE 29 2HG1 ILE 29 -4.067 5.795 -0.294
188 HG21 ILE 29 1HG2 ILE 29 -2.460 9.578 -0.317
189 HG22 ILE 29 2HG2 ILE 29 -1.067 8.499 -0.378
190 HG23 ILE 29 3HG2 ILE 29 -2.266 8.465 -1.671
191 HD11 ILE 29 3HD1 ILE 29 -5.785 7.145 -0.839
192 HD12 ILE 29 1HD1 ILE 29 -4.734 8.442 -1.406
193 HD13 ILE 29 2HD1 ILE 29 -5.045 7.045 -2.436
194 H ILE 30 H ILE 30 -2.558 7.627 3.254
195 HA ILE 30 HA ILE 30 -0.521 9.620 3.417
196 HB ILE 30 HB ILE 30 -2.298 8.560 5.618
197 HG12 ILE 30 1HG1 ILE 30 -2.749 11.111 4.099
198 HG13 ILE 30 2HG1 ILE 30 -3.344 9.582 3.460
199 HG21 ILE 30 1HG2 ILE 30 -0.186 9.888 6.201
200 HG22 ILE 30 2HG2 ILE 30 -1.021 11.270 5.494
201 HG23 ILE 30 3HG2 ILE 30 -1.717 10.437 6.883
202 HD11 ILE 30 3HD1 ILE 30 -4.150 9.658 6.137
203 HD12 ILE 30 1HD1 ILE 30 -4.461 11.266 5.485
204 HD13 ILE 30 2HD1 ILE 30 -5.153 9.847 4.699
205 H HIS 31 H HIS 31 -0.937 6.377 4.711
206 HA HIS 31 HA HIS 31 1.209 6.422 6.540
207 HB2 HIS 31 1HB HIS 31 -0.175 4.625 6.927
208 HB3 HIS 31 2HB HIS 31 -0.408 4.297 5.213
209 HD1 HIS 31 HD1 HIS 31 1.643 3.347 8.122
210 HD2 HIS 31 HD2 HIS 31 1.727 2.810 4.003
211 HE1 HIS 31 HE1 HIS 31 3.296 1.496 7.720
212 H GLN 32 H GLN 32 1.017 5.206 3.199
213 HA GLN 32 HA GLN 32 3.527 4.223 2.830
214 HB2 GLN 32 1HB GLN 32 1.832 5.854 0.943
215 HB3 GLN 32 2HB GLN 32 3.330 5.077 0.446
216 HG2 GLN 32 1HG GLN 32 2.455 2.931 0.760
217 HG3 GLN 32 2HG GLN 32 1.104 3.529 1.722
218 HE21 GLN 32 1HE2 GLN 32 0.632 1.829 -0.335
219 HE22 GLN 32 2HE2 GLN 32 -0.150 2.662 -1.632
220 H LYS 33 H LYS 33 2.665 7.494 3.434
221 HA LYS 33 HA LYS 33 4.730 8.930 2.288
222 HB2 LYS 33 1HB LYS 33 3.461 9.383 4.996
223 HB3 LYS 33 2HB LYS 33 4.392 10.572 4.095
224 HG2 LYS 33 1HG LYS 33 2.035 9.338 2.774
225 HG3 LYS 33 2HG LYS 33 1.762 10.543 4.035
226 HD2 LYS 33 1HD LYS 33 3.206 12.118 2.819
227 HD3 LYS 33 2HD LYS 33 3.433 10.914 1.548
228 HE2 LYS 33 1HE LYS 33 0.779 10.948 1.574
229 HE3 LYS 33 2HE LYS 33 1.056 12.570 2.206
230 HZ1 LYS 33 3HZ LYS 33 1.668 11.477 -0.440
231 HZ2 LYS 33 1HZ LYS 33 2.696 12.669 0.181
232 HZ3 LYS 33 2HZ LYS 33 1.047 12.992 -0.016
233 H ILE 34 H ILE 34 4.731 6.997 5.228
234 HA ILE 34 HA ILE 34 7.158 7.812 6.325
235 HB ILE 34 HB ILE 34 7.198 5.742 7.539
236 HG12 ILE 34 1HG1 ILE 34 4.978 4.695 5.787
237 HG13 ILE 34 2HG1 ILE 34 6.673 4.351 5.461
238 HG21 ILE 34 1HG2 ILE 34 4.564 7.063 7.125
239 HG22 ILE 34 2HG2 ILE 34 4.642 5.627 8.145
240 HG23 ILE 34 3HG2 ILE 34 5.608 7.046 8.546
241 HD11 ILE 34 3HD1 ILE 34 6.247 3.746 8.168
242 HD12 ILE 34 1HD1 ILE 34 4.885 3.068 7.275
243 HD13 ILE 34 2HD1 ILE 34 6.536 2.629 6.834
244 H HIS 35 H HIS 35 6.597 6.277 3.385
245 HA HIS 35 HA HIS 35 9.329 5.187 3.293
246 HB2 HIS 35 1HB HIS 35 7.050 4.620 1.389
247 HB3 HIS 35 2HB HIS 35 8.606 3.797 1.452
248 HD1 HIS 35 HD1 HIS 35 8.968 2.810 4.145
249 HD2 HIS 35 HD2 HIS 35 5.165 3.049 2.489
250 HE1 HIS 35 HE1 HIS 35 7.556 1.206 5.471
251 H THR 36 H THR 36 7.151 7.508 1.910
252 HA THR 36 HA THR 36 8.478 8.080 -0.488
253 HB THR 36 HB THR 36 7.310 10.189 -0.505
254 HG1 THR 36 HG1 THR 36 5.993 10.360 1.705
255 HG21 THR 36 3HG2 THR 36 4.975 9.316 0.346
256 HG22 THR 36 1HG2 THR 36 5.849 7.792 0.503
257 HG23 THR 36 2HG2 THR 36 5.750 8.595 -1.064
258 H GLY 37 H GLY 37 8.825 9.575 2.727
259 HA2 GLY 37 1HA GLY 37 11.576 9.917 2.619
260 HA3 GLY 37 2HA GLY 37 10.874 11.378 1.938
261 H GLU 38 H GLU 38 12.441 11.363 4.260
262 HA GLU 38 HA GLU 38 10.441 11.959 6.341
263 HB2 GLU 38 1HB GLU 38 13.319 11.084 6.629
264 HB3 GLU 38 2HB GLU 38 12.312 11.618 7.967
265 HG2 GLU 38 1HG GLU 38 10.734 9.773 7.438
266 HG3 GLU 38 2HG GLU 38 11.882 9.202 6.228
267 H ARG 39 H ARG 39 13.752 12.898 5.393
268 HA ARG 39 HA ARG 39 13.914 15.304 6.708
269 HB2 ARG 39 1HB ARG 39 15.645 15.922 5.178
270 HB3 ARG 39 2HB ARG 39 15.743 14.181 5.411
271 HG2 ARG 39 1HG ARG 39 14.341 14.005 3.277
272 HG3 ARG 39 2HG ARG 39 14.763 15.700 3.023
273 HD2 ARG 39 1HD ARG 39 17.050 15.220 2.847
274 HD3 ARG 39 2HD ARG 39 16.858 13.624 3.571
275 HE ARG 39 HE ARG 39 15.411 13.367 1.346
276 HH11 ARG 39 1HH1 ARG 39 18.587 14.695 1.865
277 HH12 ARG 39 2HH1 ARG 39 19.167 14.264 0.291
278 HH21 ARG 39 1HH2 ARG 39 16.164 12.793 -0.729
279 HH22 ARG 39 2HH2 ARG 39 17.788 13.182 -1.184
280 HA PRO 40 HA PRO 40 11.077 18.091 4.847
281 HB2 PRO 40 1HB PRO 40 12.411 20.439 5.128
282 HB3 PRO 40 2HB PRO 40 11.667 19.588 6.487
283 HG2 PRO 40 1HG PRO 40 14.529 19.620 5.611
284 HG3 PRO 40 2HG PRO 40 13.860 19.730 7.249
285 HD2 PRO 40 1HD PRO 40 14.874 17.431 6.241
286 HD3 PRO 40 2HD PRO 40 13.533 17.453 7.403
287 H SER 41 H SER 41 10.657 18.265 2.744
288 HA SER 41 HA SER 41 12.300 17.955 0.624
289 HB2 SER 41 1HB SER 41 9.899 18.107 0.335
290 HB3 SER 41 2HB SER 41 9.913 19.809 0.796
291 HG SER 41 HG SER 41 11.273 20.148 -1.078
292 H GLY 42 H GLY 42 13.830 19.065 -0.447
293 HA2 GLY 42 1HA GLY 42 14.039 21.938 -0.258
294 HA3 GLY 42 2HA GLY 42 15.307 21.081 0.606
295 HA PRO 43 HA PRO 43 17.633 20.919 -3.110
296 HB2 PRO 43 1HB PRO 43 19.149 18.718 -2.632
297 HB3 PRO 43 2HB PRO 43 19.409 20.261 -1.810
298 HG2 PRO 43 1HG PRO 43 17.969 17.820 -0.846
299 HG3 PRO 43 2HG PRO 43 19.101 18.870 0.028
300 HD2 PRO 43 1HD PRO 43 16.416 19.052 0.330
301 HD3 PRO 43 2HD PRO 43 17.489 20.460 0.459
302 H SER 44 H SER 44 16.332 17.775 -2.049
303 HA SER 44 HA SER 44 15.663 15.940 -3.250
304 HB2 SER 44 1HB SER 44 13.767 16.362 -4.603
305 HB3 SER 44 2HB SER 44 13.785 17.678 -3.429
306 HG SER 44 HG SER 44 14.761 17.789 -6.094
307 H SER 45 H SER 45 18.233 16.610 -3.968
308 HA SER 45 HA SER 45 19.795 16.547 -5.650
309 HB2 SER 45 1HB SER 45 17.853 14.411 -6.563
310 HB3 SER 45 2HB SER 45 19.512 14.577 -7.136
311 HG SER 45 HG SER 45 19.318 13.054 -5.428
312 H GLY 46 H GLY 46 18.018 18.641 -6.086
313 HA2 GLY 46 1HA GLY 46 17.906 20.161 -7.877
314 HA3 GLY 46 2HA GLY 46 18.183 18.832 -8.993
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -16.028 -28.690 -6.045
2 HA2 GLY 1 1HA GLY 1 -18.858 -27.984 -5.566
3 HA3 GLY 1 2HA GLY 1 -17.855 -28.765 -4.353
4 H SER 2 H SER 2 -15.670 -27.466 -4.048
5 HA SER 2 HA SER 2 -16.465 -24.918 -3.011
6 HB2 SER 2 1HB SER 2 -14.715 -26.584 -2.056
7 HB3 SER 2 2HB SER 2 -13.607 -25.836 -3.206
8 HG SER 2 HG SER 2 -14.245 -24.952 -0.829
9 H SER 3 H SER 3 -15.137 -22.935 -3.423
10 HA SER 3 HA SER 3 -14.424 -22.733 -6.276
11 HB2 SER 3 1HB SER 3 -15.359 -20.488 -6.318
12 HB3 SER 3 2HB SER 3 -16.587 -21.620 -5.753
13 HG SER 3 HG SER 3 -14.950 -20.048 -4.049
14 H GLY 4 H GLY 4 -12.609 -21.583 -6.808
15 HA2 GLY 4 1HA GLY 4 -10.705 -20.293 -6.503
16 HA3 GLY 4 2HA GLY 4 -11.238 -19.950 -4.864
17 H SER 5 H SER 5 -8.912 -20.245 -4.414
18 HA SER 5 HA SER 5 -8.293 -23.097 -4.008
19 HB2 SER 5 1HB SER 5 -6.862 -22.035 -5.759
20 HB3 SER 5 2HB SER 5 -6.277 -20.903 -4.540
21 HG SER 5 HG SER 5 -5.844 -23.676 -4.747
22 H SER 6 H SER 6 -7.535 -19.811 -2.867
23 HA SER 6 HA SER 6 -6.608 -20.751 -0.318
24 HB2 SER 6 1HB SER 6 -5.745 -18.675 -1.388
25 HB3 SER 6 2HB SER 6 -7.327 -17.931 -1.156
26 HG SER 6 HG SER 6 -6.924 -17.692 0.911
27 H GLY 7 H GLY 7 -9.357 -18.661 -1.240
28 HA2 GLY 7 1HA GLY 7 -11.458 -19.865 -0.109
29 HA3 GLY 7 2HA GLY 7 -10.644 -19.217 1.308
30 H THR 8 H THR 8 -12.383 -17.853 1.793
31 HA THR 8 HA THR 8 -12.818 -15.647 -0.110
32 HB THR 8 HB THR 8 -14.872 -16.862 0.363
33 HG1 THR 8 HG1 THR 8 -16.001 -15.050 0.624
34 HG21 THR 8 3HG2 THR 8 -15.103 -17.826 2.364
35 HG22 THR 8 1HG2 THR 8 -15.501 -16.231 3.001
36 HG23 THR 8 2HG2 THR 8 -13.839 -16.819 3.067
37 H GLY 9 H GLY 9 -12.587 -13.545 0.550
38 HA2 GLY 9 1HA GLY 9 -12.592 -12.003 2.515
39 HA3 GLY 9 2HA GLY 9 -11.525 -13.169 3.283
40 H GLU 10 H GLU 10 -11.795 -10.750 0.755
41 HA GLU 10 HA GLU 10 -8.878 -10.794 0.413
42 HB2 GLU 10 1HB GLU 10 -10.252 -10.988 -1.635
43 HB3 GLU 10 2HB GLU 10 -10.982 -9.429 -1.275
44 HG2 GLU 10 1HG GLU 10 -9.098 -8.257 -1.835
45 HG3 GLU 10 2HG GLU 10 -8.021 -9.608 -1.486
46 H ASN 11 H ASN 11 -7.740 -9.353 1.511
47 HA ASN 11 HA ASN 11 -8.725 -7.373 3.147
48 HB2 ASN 11 1HB ASN 11 -6.350 -6.318 2.734
49 HB3 ASN 11 2HB ASN 11 -6.505 -7.863 3.566
50 HD21 ASN 11 1HD2 ASN 11 -5.563 -9.618 2.723
51 HD22 ASN 11 2HD2 ASN 11 -4.726 -9.657 1.212
52 HA PRO 12 HA PRO 12 -9.960 -3.990 0.638
53 HB2 PRO 12 1HB PRO 12 -9.316 -1.891 2.236
54 HB3 PRO 12 2HB PRO 12 -10.673 -2.973 2.571
55 HG2 PRO 12 1HG PRO 12 -7.918 -2.972 3.742
56 HG3 PRO 12 2HG PRO 12 -9.479 -3.195 4.554
57 HD2 PRO 12 1HD PRO 12 -7.859 -5.269 3.916
58 HD3 PRO 12 2HD PRO 12 -9.629 -5.409 3.931
59 H PHE 13 H PHE 13 -6.829 -3.334 2.228
60 HA PHE 13 HA PHE 13 -5.517 -2.920 -0.285
61 HB2 PHE 13 1HB PHE 13 -5.636 -0.500 1.504
62 HB3 PHE 13 2HB PHE 13 -5.066 -0.605 -0.158
63 HD1 PHE 13 HD2 PHE 13 -6.666 -0.775 -2.009
64 HD2 PHE 13 HD1 PHE 13 -7.948 -0.230 2.013
65 HE1 PHE 13 HE2 PHE 13 -8.888 -0.089 -2.814
66 HE2 PHE 13 HE1 PHE 13 -10.172 0.455 1.215
67 HZ PHE 13 HZ PHE 13 -10.644 0.528 -1.201
68 H ILE 14 H ILE 14 -3.334 -3.136 -0.109
69 HA ILE 14 HA ILE 14 -2.194 -3.197 2.604
70 HB ILE 14 HB ILE 14 -1.740 -5.212 0.404
71 HG12 ILE 14 1HG1 ILE 14 -2.863 -5.430 3.204
72 HG13 ILE 14 2HG1 ILE 14 -3.745 -5.646 1.696
73 HG21 ILE 14 1HG2 ILE 14 0.376 -5.169 1.208
74 HG22 ILE 14 2HG2 ILE 14 -0.109 -4.482 2.757
75 HG23 ILE 14 3HG2 ILE 14 -0.329 -6.204 2.449
76 HD11 ILE 14 3HD1 ILE 14 -1.998 -7.500 3.153
77 HD12 ILE 14 1HD1 ILE 14 -3.392 -7.818 2.120
78 HD13 ILE 14 2HD1 ILE 14 -1.814 -7.499 1.399
79 H CYS 15 H CYS 15 -0.226 -2.276 2.847
80 HA CYS 15 HA CYS 15 0.739 -0.521 0.862
81 HB2 CYS 15 1HB CYS 15 1.034 -0.372 3.405
82 HB3 CYS 15 2HB CYS 15 2.364 -1.507 3.201
83 H SER 16 H SER 16 2.092 -0.822 -0.782
84 HA SER 16 HA SER 16 3.218 -3.453 -1.222
85 HB2 SER 16 1HB SER 16 2.104 -2.063 -3.027
86 HB3 SER 16 2HB SER 16 3.523 -1.015 -2.983
87 HG SER 16 HG SER 16 3.908 -3.771 -3.267
88 H GLU 17 H GLU 17 4.234 -1.418 0.835
89 HA GLU 17 HA GLU 17 7.047 -1.400 -0.041
90 HB2 GLU 17 1HB GLU 17 5.713 0.400 1.989
91 HB3 GLU 17 2HB GLU 17 7.397 0.476 1.493
92 HG2 GLU 17 1HG GLU 17 6.506 2.147 0.225
93 HG3 GLU 17 2HG GLU 17 6.372 0.788 -0.890
94 H CYS 18 H CYS 18 5.193 -1.388 3.010
95 HA CYS 18 HA CYS 18 7.217 -3.171 4.166
96 HB2 CYS 18 1HB CYS 18 6.138 -2.545 6.348
97 HB3 CYS 18 2HB CYS 18 6.874 -1.199 5.483
98 H GLY 19 H GLY 19 3.679 -2.773 4.002
99 HA2 GLY 19 1HA GLY 19 2.474 -4.835 3.264
100 HA3 GLY 19 2HA GLY 19 3.449 -5.685 4.454
101 H LYS 20 H LYS 20 1.800 -2.561 4.743
102 HA LYS 20 HA LYS 20 0.324 -3.662 7.037
103 HB2 LYS 20 1HB LYS 20 1.930 -1.655 7.279
104 HB3 LYS 20 2HB LYS 20 0.677 -0.731 6.460
105 HG2 LYS 20 1HG LYS 20 -0.901 -1.244 8.216
106 HG3 LYS 20 2HG LYS 20 0.287 -2.276 9.016
107 HD2 LYS 20 1HD LYS 20 1.583 -0.478 9.693
108 HD3 LYS 20 2HD LYS 20 0.932 0.590 8.447
109 HE2 LYS 20 1HE LYS 20 -0.154 1.406 10.289
110 HE3 LYS 20 2HE LYS 20 -1.317 0.194 9.755
111 HZ1 LYS 20 3HZ LYS 20 -0.955 0.025 12.119
112 HZ2 LYS 20 1HZ LYS 20 0.712 -0.154 11.895
113 HZ3 LYS 20 2HZ LYS 20 -0.347 -1.358 11.358
114 H VAL 21 H VAL 21 -1.823 -3.828 6.949
115 HA VAL 21 HA VAL 21 -3.198 -2.870 4.565
116 HB VAL 21 HB VAL 21 -3.525 -5.209 5.346
117 HG11 VAL 21 1HG1 VAL 21 -4.705 -5.728 7.321
118 HG12 VAL 21 2HG1 VAL 21 -3.483 -4.548 7.796
119 HG13 VAL 21 3HG1 VAL 21 -5.160 -4.045 7.585
120 HG21 VAL 21 3HG2 VAL 21 -5.271 -4.734 3.991
121 HG22 VAL 21 1HG2 VAL 21 -6.186 -4.835 5.495
122 HG23 VAL 21 2HG2 VAL 21 -5.691 -3.263 4.868
123 H PHE 22 H PHE 22 -4.971 -1.503 4.585
124 HA PHE 22 HA PHE 22 -5.590 -0.183 7.138
125 HB2 PHE 22 1HB PHE 22 -5.125 1.183 4.479
126 HB3 PHE 22 2HB PHE 22 -5.720 1.982 5.931
127 HD1 PHE 22 HD2 PHE 22 -2.824 0.195 4.488
128 HD2 PHE 22 HD1 PHE 22 -4.245 2.735 7.595
129 HE1 PHE 22 HE2 PHE 22 -0.506 0.617 5.199
130 HE2 PHE 22 HE1 PHE 22 -1.929 3.161 8.309
131 HZ PHE 22 HZ PHE 22 -0.056 2.101 7.112
132 H THR 23 H THR 23 -7.703 0.441 7.439
133 HA THR 23 HA THR 23 -9.645 -0.863 5.740
134 HB THR 23 HB THR 23 -10.380 0.912 8.046
135 HG1 THR 23 HG1 THR 23 -9.411 -1.766 8.228
136 HG21 THR 23 3HG2 THR 23 -11.636 -1.707 7.750
137 HG22 THR 23 1HG2 THR 23 -11.838 -0.676 6.334
138 HG23 THR 23 2HG2 THR 23 -12.371 -0.113 7.918
139 H HIS 24 H HIS 24 -8.060 1.721 5.062
140 HA HIS 24 HA HIS 24 -10.241 2.969 3.645
141 HB2 HIS 24 1HB HIS 24 -9.945 4.002 6.070
142 HB3 HIS 24 2HB HIS 24 -8.634 4.877 5.284
143 HD1 HIS 24 HD1 HIS 24 -9.272 6.684 3.574
144 HD2 HIS 24 HD2 HIS 24 -12.534 4.714 5.230
145 HE1 HIS 24 HE1 HIS 24 -11.283 8.042 2.915
146 H LYS 25 H LYS 25 -9.535 3.503 1.690
147 HA LYS 25 HA LYS 25 -6.957 3.099 0.784
148 HB2 LYS 25 1HB LYS 25 -7.610 4.303 -1.229
149 HB3 LYS 25 2HB LYS 25 -8.925 3.269 -0.686
150 HG2 LYS 25 1HG LYS 25 -8.874 6.118 0.181
151 HG3 LYS 25 2HG LYS 25 -9.380 5.722 -1.464
152 HD2 LYS 25 1HD LYS 25 -10.927 3.994 -0.310
153 HD3 LYS 25 2HD LYS 25 -10.643 4.954 1.143
154 HE2 LYS 25 1HE LYS 25 -11.681 6.050 -1.468
155 HE3 LYS 25 2HE LYS 25 -12.694 5.604 -0.096
156 HZ1 LYS 25 3HZ LYS 25 -10.491 7.486 0.348
157 HZ2 LYS 25 1HZ LYS 25 -11.993 7.382 1.121
158 HZ3 LYS 25 2HZ LYS 25 -11.883 8.051 -0.429
159 H THR 26 H THR 26 -8.397 5.978 2.169
160 HA THR 26 HA THR 26 -6.308 7.771 1.463
161 HB THR 26 HB THR 26 -8.067 8.126 3.878
162 HG1 THR 26 HG1 THR 26 -9.316 9.262 1.939
163 HG21 THR 26 3HG2 THR 26 -7.684 10.383 3.618
164 HG22 THR 26 1HG2 THR 26 -7.371 10.240 1.888
165 HG23 THR 26 2HG2 THR 26 -6.150 9.723 3.051
166 H ASN 27 H ASN 27 -7.037 5.947 4.425
167 HA ASN 27 HA ASN 27 -4.950 6.898 6.005
168 HB2 ASN 27 1HB ASN 27 -6.630 4.440 5.989
169 HB3 ASN 27 2HB ASN 27 -5.170 4.417 6.974
170 HD21 ASN 27 1HD2 ASN 27 -8.328 4.869 7.177
171 HD22 ASN 27 2HD2 ASN 27 -8.415 6.024 8.459
172 H LEU 28 H LEU 28 -5.011 4.284 3.636
173 HA LEU 28 HA LEU 28 -2.447 3.247 4.177
174 HB2 LEU 28 1HB LEU 28 -3.784 1.845 2.918
175 HB3 LEU 28 2HB LEU 28 -4.317 3.143 1.852
176 HG LEU 28 HG LEU 28 -2.064 3.144 0.811
177 HD11 LEU 28 1HD1 LEU 28 -0.948 0.752 1.344
178 HD12 LEU 28 2HD1 LEU 28 -1.596 1.158 2.933
179 HD13 LEU 28 3HD1 LEU 28 -0.473 2.257 2.133
180 HD21 LEU 28 3HD2 LEU 28 -3.826 0.728 0.773
181 HD22 LEU 28 1HD2 LEU 28 -2.359 0.777 -0.206
182 HD23 LEU 28 2HD2 LEU 28 -3.621 1.985 -0.448
183 H ILE 29 H ILE 29 -3.539 5.534 1.672
184 HA ILE 29 HA ILE 29 -1.077 6.038 0.492
185 HB ILE 29 HB ILE 29 -3.375 7.963 0.864
186 HG12 ILE 29 1HG1 ILE 29 -2.700 6.313 -1.570
187 HG13 ILE 29 2HG1 ILE 29 -3.803 5.746 -0.321
188 HG21 ILE 29 1HG2 ILE 29 -1.220 8.074 -1.232
189 HG22 ILE 29 2HG2 ILE 29 -2.448 9.286 -0.869
190 HG23 ILE 29 3HG2 ILE 29 -1.144 8.981 0.279
191 HD11 ILE 29 3HD1 ILE 29 -5.442 6.781 -1.376
192 HD12 ILE 29 1HD1 ILE 29 -4.664 8.321 -1.013
193 HD13 ILE 29 2HD1 ILE 29 -4.307 7.487 -2.526
194 H ILE 30 H ILE 30 -2.637 7.755 3.189
195 HA ILE 30 HA ILE 30 -0.666 9.684 3.607
196 HB ILE 30 HB ILE 30 -2.471 8.387 5.653
197 HG12 ILE 30 1HG1 ILE 30 -2.823 11.034 4.244
198 HG13 ILE 30 2HG1 ILE 30 -3.537 9.537 3.654
199 HG21 ILE 30 1HG2 ILE 30 -1.201 11.097 5.875
200 HG22 ILE 30 2HG2 ILE 30 -1.977 10.134 7.132
201 HG23 ILE 30 3HG2 ILE 30 -0.410 9.645 6.488
202 HD11 ILE 30 3HD1 ILE 30 -4.514 11.329 5.627
203 HD12 ILE 30 1HD1 ILE 30 -5.270 9.875 4.976
204 HD13 ILE 30 2HD1 ILE 30 -4.210 9.764 6.382
205 H HIS 31 H HIS 31 -0.850 6.339 4.638
206 HA HIS 31 HA HIS 31 1.283 6.457 6.514
207 HB2 HIS 31 1HB HIS 31 -0.016 4.594 6.881
208 HB3 HIS 31 2HB HIS 31 -0.257 4.291 5.163
209 HD1 HIS 31 HD1 HIS 31 1.831 3.332 8.030
210 HD2 HIS 31 HD2 HIS 31 1.965 2.964 3.893
211 HE1 HIS 31 HE1 HIS 31 3.568 1.574 7.567
212 H GLN 32 H GLN 32 1.110 5.218 3.176
213 HA GLN 32 HA GLN 32 3.635 4.370 2.737
214 HB2 GLN 32 1HB GLN 32 2.003 6.098 0.870
215 HB3 GLN 32 2HB GLN 32 3.401 5.144 0.391
216 HG2 GLN 32 1HG GLN 32 2.091 3.147 1.350
217 HG3 GLN 32 2HG GLN 32 0.693 4.215 1.247
218 HE21 GLN 32 1HE2 GLN 32 -0.430 3.376 -0.392
219 HE22 GLN 32 2HE2 GLN 32 0.175 3.141 -1.993
220 H LYS 33 H LYS 33 2.667 7.625 3.367
221 HA LYS 33 HA LYS 33 4.710 9.125 2.284
222 HB2 LYS 33 1HB LYS 33 3.401 9.503 4.984
223 HB3 LYS 33 2HB LYS 33 4.313 10.729 4.114
224 HG2 LYS 33 1HG LYS 33 2.010 9.464 2.733
225 HG3 LYS 33 2HG LYS 33 1.681 10.622 4.023
226 HD2 LYS 33 1HD LYS 33 2.638 12.378 2.871
227 HD3 LYS 33 2HD LYS 33 3.655 11.318 1.893
228 HE2 LYS 33 1HE LYS 33 0.657 11.532 1.650
229 HE3 LYS 33 2HE LYS 33 1.809 12.377 0.618
230 HZ1 LYS 33 3HZ LYS 33 1.441 10.542 -0.640
231 HZ2 LYS 33 1HZ LYS 33 1.100 9.543 0.682
232 HZ3 LYS 33 2HZ LYS 33 2.702 9.933 0.309
233 H ILE 34 H ILE 34 4.689 7.359 5.359
234 HA ILE 34 HA ILE 34 7.100 8.159 6.418
235 HB ILE 34 HB ILE 34 7.161 6.122 7.668
236 HG12 ILE 34 1HG1 ILE 34 5.053 4.957 5.850
237 HG13 ILE 34 2HG1 ILE 34 6.772 4.671 5.606
238 HG21 ILE 34 1HG2 ILE 34 4.358 5.998 7.785
239 HG22 ILE 34 2HG2 ILE 34 5.442 6.937 8.809
240 HG23 ILE 34 3HG2 ILE 34 4.764 7.658 7.350
241 HD11 ILE 34 3HD1 ILE 34 6.021 4.134 8.331
242 HD12 ILE 34 1HD1 ILE 34 5.030 3.212 7.201
243 HD13 ILE 34 2HD1 ILE 34 6.788 3.081 7.143
244 H HIS 35 H HIS 35 6.531 6.260 3.607
245 HA HIS 35 HA HIS 35 9.233 5.191 3.532
246 HB2 HIS 35 1HB HIS 35 6.956 4.975 1.551
247 HB3 HIS 35 2HB HIS 35 8.504 4.148 1.404
248 HD1 HIS 35 HD1 HIS 35 8.945 2.883 4.041
249 HD2 HIS 35 HD2 HIS 35 5.163 3.124 2.337
250 HE1 HIS 35 HE1 HIS 35 7.598 1.062 5.133
251 H THR 36 H THR 36 8.488 8.138 3.317
252 HA THR 36 HA THR 36 10.474 8.826 1.394
253 HB THR 36 HB THR 36 8.777 8.480 -0.255
254 HG1 THR 36 HG1 THR 36 9.588 10.286 -1.015
255 HG21 THR 36 3HG2 THR 36 6.578 9.383 -0.167
256 HG22 THR 36 1HG2 THR 36 6.966 10.369 1.242
257 HG23 THR 36 2HG2 THR 36 6.868 8.614 1.393
258 H GLY 37 H GLY 37 11.376 10.721 1.951
259 HA2 GLY 37 1HA GLY 37 9.837 12.467 3.773
260 HA3 GLY 37 2HA GLY 37 11.560 12.173 3.951
261 H GLU 38 H GLU 38 12.420 14.148 3.644
262 HA GLU 38 HA GLU 38 11.806 15.486 1.090
263 HB2 GLU 38 1HB GLU 38 11.022 16.615 3.282
264 HB3 GLU 38 2HB GLU 38 12.725 16.971 3.537
265 HG2 GLU 38 1HG GLU 38 12.698 18.049 1.246
266 HG3 GLU 38 2HG GLU 38 10.942 17.924 1.320
267 H ARG 39 H ARG 39 13.522 14.614 -0.037
268 HA ARG 39 HA ARG 39 16.211 15.250 0.983
269 HB2 ARG 39 1HB ARG 39 15.126 12.969 -0.582
270 HB3 ARG 39 2HB ARG 39 16.753 13.508 -0.976
271 HG2 ARG 39 1HG ARG 39 17.057 11.817 0.599
272 HG3 ARG 39 2HG ARG 39 17.237 13.311 1.521
273 HD2 ARG 39 1HD ARG 39 15.840 12.124 2.900
274 HD3 ARG 39 2HD ARG 39 14.666 13.005 1.924
275 HE ARG 39 HE ARG 39 15.243 10.153 1.815
276 HH11 ARG 39 1HH1 ARG 39 13.569 12.896 0.475
277 HH12 ARG 39 2HH1 ARG 39 12.411 11.934 -0.383
278 HH21 ARG 39 1HH2 ARG 39 13.723 8.877 0.690
279 HH22 ARG 39 2HH2 ARG 39 12.499 9.648 -0.259
280 HA PRO 40 HA PRO 40 15.548 18.114 -2.570
281 HB2 PRO 40 1HB PRO 40 16.910 20.173 -1.441
282 HB3 PRO 40 2HB PRO 40 15.200 19.863 -1.121
283 HG2 PRO 40 1HG PRO 40 17.594 19.147 0.526
284 HG3 PRO 40 2HG PRO 40 16.033 19.808 1.049
285 HD2 PRO 40 1HD PRO 40 16.649 17.180 1.266
286 HD3 PRO 40 2HD PRO 40 14.994 17.752 0.970
287 H SER 41 H SER 41 16.873 17.256 -4.096
288 HA SER 41 HA SER 41 19.514 16.506 -3.865
289 HB2 SER 41 1HB SER 41 17.989 17.557 -6.251
290 HB3 SER 41 2HB SER 41 19.631 16.923 -6.371
291 HG SER 41 HG SER 41 17.754 15.348 -5.050
292 H GLY 42 H GLY 42 21.254 17.624 -3.304
293 HA2 GLY 42 1HA GLY 42 22.711 19.371 -2.988
294 HA3 GLY 42 2HA GLY 42 22.241 19.857 -4.610
295 HA PRO 43 HA PRO 43 21.050 23.301 -1.796
296 HB2 PRO 43 1HB PRO 43 21.795 25.258 -3.524
297 HB3 PRO 43 2HB PRO 43 22.924 24.481 -2.408
298 HG2 PRO 43 1HG PRO 43 22.469 23.949 -5.318
299 HG3 PRO 43 2HG PRO 43 23.998 24.064 -4.427
300 HD2 PRO 43 1HD PRO 43 22.875 21.691 -5.094
301 HD3 PRO 43 2HD PRO 43 23.831 21.913 -3.614
302 H SER 44 H SER 44 18.846 22.684 -2.119
303 HA SER 44 HA SER 44 17.521 23.491 -4.569
304 HB2 SER 44 1HB SER 44 16.984 21.396 -3.142
305 HB3 SER 44 2HB SER 44 16.118 22.517 -2.091
306 HG SER 44 HG SER 44 14.549 22.444 -3.469
307 H SER 45 H SER 45 16.997 24.190 -1.108
308 HA SER 45 HA SER 45 16.683 27.002 -1.642
309 HB2 SER 45 1HB SER 45 14.437 25.945 -2.215
310 HB3 SER 45 2HB SER 45 14.289 25.555 -0.501
311 HG SER 45 HG SER 45 13.577 27.768 -1.606
312 H GLY 46 H GLY 46 15.977 28.156 0.457
313 HA2 GLY 46 1HA GLY 46 17.451 26.876 2.663
314 HA3 GLY 46 2HA GLY 46 17.243 28.609 2.454
Start of MODEL 11
1 H1 GLY 1 H GLY 1 14.154 -15.689 8.489
2 HA2 GLY 1 1HA GLY 1 15.139 -18.061 7.469
3 HA3 GLY 1 2HA GLY 1 13.941 -18.525 8.668
4 H SER 2 H SER 2 13.781 -19.074 5.885
5 HA SER 2 HA SER 2 12.168 -17.258 4.476
6 HB2 SER 2 1HB SER 2 13.309 -19.067 3.327
7 HB3 SER 2 2HB SER 2 12.383 -20.267 4.228
8 HG SER 2 HG SER 2 11.450 -19.977 2.207
9 H SER 3 H SER 3 9.903 -17.420 3.949
10 HA SER 3 HA SER 3 8.288 -18.697 6.054
11 HB2 SER 3 1HB SER 3 7.948 -15.932 4.876
12 HB3 SER 3 2HB SER 3 6.734 -16.729 5.877
13 HG SER 3 HG SER 3 8.506 -16.924 7.468
14 H GLY 4 H GLY 4 5.890 -18.740 5.364
15 HA2 GLY 4 1HA GLY 4 5.759 -20.193 2.898
16 HA3 GLY 4 2HA GLY 4 4.414 -19.842 3.974
17 H SER 5 H SER 5 2.864 -18.779 2.956
18 HA SER 5 HA SER 5 3.465 -16.351 1.514
19 HB2 SER 5 1HB SER 5 2.227 -17.100 -0.541
20 HB3 SER 5 2HB SER 5 3.778 -17.904 -0.300
21 HG SER 5 HG SER 5 1.183 -18.924 0.196
22 H SER 6 H SER 6 1.607 -15.059 1.111
23 HA SER 6 HA SER 6 -0.760 -15.903 2.652
24 HB2 SER 6 1HB SER 6 -1.145 -13.503 3.117
25 HB3 SER 6 2HB SER 6 0.413 -14.051 3.734
26 HG SER 6 HG SER 6 0.522 -12.037 2.598
27 H GLY 7 H GLY 7 -2.795 -14.719 1.972
28 HA2 GLY 7 1HA GLY 7 -3.573 -13.406 -0.124
29 HA3 GLY 7 2HA GLY 7 -2.949 -14.818 -0.962
30 H THR 8 H THR 8 -4.816 -15.623 -1.788
31 HA THR 8 HA THR 8 -7.020 -16.334 -1.837
32 HB THR 8 HB THR 8 -5.721 -18.341 -1.294
33 HG1 THR 8 HG1 THR 8 -8.308 -17.962 -0.266
34 HG21 THR 8 3HG2 THR 8 -5.346 -19.093 0.924
35 HG22 THR 8 1HG2 THR 8 -6.394 -17.848 1.601
36 HG23 THR 8 2HG2 THR 8 -4.842 -17.403 0.890
37 H GLY 9 H GLY 9 -7.126 -13.958 -0.558
38 HA2 GLY 9 1HA GLY 9 -9.288 -14.416 1.337
39 HA3 GLY 9 2HA GLY 9 -7.891 -13.554 1.964
40 H GLU 10 H GLU 10 -10.014 -12.126 2.211
41 HA GLU 10 HA GLU 10 -10.181 -10.377 -0.152
42 HB2 GLU 10 1HB GLU 10 -12.157 -11.050 2.003
43 HB3 GLU 10 2HB GLU 10 -12.301 -9.545 1.107
44 HG2 GLU 10 1HG GLU 10 -13.700 -11.352 0.199
45 HG3 GLU 10 2HG GLU 10 -12.529 -10.734 -0.965
46 H ASN 11 H ASN 11 -8.401 -9.089 0.306
47 HA ASN 11 HA ASN 11 -8.451 -7.599 2.836
48 HB2 ASN 11 1HB ASN 11 -6.355 -8.825 2.150
49 HB3 ASN 11 2HB ASN 11 -6.215 -7.697 0.805
50 HD21 ASN 11 1HD2 ASN 11 -6.341 -5.343 1.488
51 HD22 ASN 11 2HD2 ASN 11 -5.432 -4.908 2.891
52 HA PRO 12 HA PRO 12 -9.893 -3.986 0.763
53 HB2 PRO 12 1HB PRO 12 -9.107 -2.136 2.589
54 HB3 PRO 12 2HB PRO 12 -10.482 -3.217 2.847
55 HG2 PRO 12 1HG PRO 12 -7.676 -3.444 3.867
56 HG3 PRO 12 2HG PRO 12 -9.204 -3.732 4.720
57 HD2 PRO 12 1HD PRO 12 -7.685 -5.744 3.734
58 HD3 PRO 12 2HD PRO 12 -9.455 -5.839 3.820
59 H PHE 13 H PHE 13 -6.674 -3.624 2.268
60 HA PHE 13 HA PHE 13 -5.463 -2.922 -0.231
61 HB2 PHE 13 1HB PHE 13 -5.790 -0.775 1.875
62 HB3 PHE 13 2HB PHE 13 -4.743 -0.648 0.465
63 HD1 PHE 13 HD2 PHE 13 -5.684 -0.401 -1.766
64 HD2 PHE 13 HD1 PHE 13 -8.173 -0.571 1.683
65 HE1 PHE 13 HE2 PHE 13 -7.565 0.483 -3.083
66 HE2 PHE 13 HE1 PHE 13 -10.058 0.312 0.371
67 HZ PHE 13 HZ PHE 13 -9.755 0.842 -2.015
68 H ILE 14 H ILE 14 -3.148 -2.610 -0.047
69 HA ILE 14 HA ILE 14 -1.939 -3.216 2.531
70 HB ILE 14 HB ILE 14 -1.726 -5.028 0.138
71 HG12 ILE 14 1HG1 ILE 14 -3.489 -5.561 1.736
72 HG13 ILE 14 2HG1 ILE 14 -2.214 -6.770 1.823
73 HG21 ILE 14 1HG2 ILE 14 0.476 -5.123 0.563
74 HG22 ILE 14 2HG2 ILE 14 0.302 -4.379 2.152
75 HG23 ILE 14 3HG2 ILE 14 -0.005 -6.104 1.947
76 HD11 ILE 14 3HD1 ILE 14 -1.523 -4.831 3.704
77 HD12 ILE 14 1HD1 ILE 14 -3.262 -5.069 3.879
78 HD13 ILE 14 2HD1 ILE 14 -2.166 -6.445 4.008
79 H CYS 15 H CYS 15 0.126 -2.456 2.744
80 HA CYS 15 HA CYS 15 1.010 -0.562 0.771
81 HB2 CYS 15 1HB CYS 15 1.205 -0.169 3.226
82 HB3 CYS 15 2HB CYS 15 2.404 -1.455 3.302
83 H SER 16 H SER 16 2.446 -0.867 -0.801
84 HA SER 16 HA SER 16 3.661 -3.473 -1.120
85 HB2 SER 16 1HB SER 16 2.608 -2.136 -3.007
86 HB3 SER 16 2HB SER 16 4.010 -1.071 -2.919
87 HG SER 16 HG SER 16 5.270 -3.078 -3.199
88 H GLU 17 H GLU 17 4.542 -1.528 1.001
89 HA GLU 17 HA GLU 17 7.387 -1.390 0.243
90 HB2 GLU 17 1HB GLU 17 5.880 0.386 2.171
91 HB3 GLU 17 2HB GLU 17 7.603 0.481 1.833
92 HG2 GLU 17 1HG GLU 17 6.737 2.164 0.522
93 HG3 GLU 17 2HG GLU 17 6.872 0.825 -0.616
94 H CYS 18 H CYS 18 5.258 -1.619 3.095
95 HA CYS 18 HA CYS 18 7.285 -3.349 4.352
96 HB2 CYS 18 1HB CYS 18 6.164 -2.683 6.515
97 HB3 CYS 18 2HB CYS 18 7.010 -1.384 5.679
98 H GLY 19 H GLY 19 3.765 -2.816 4.165
99 HA2 GLY 19 1HA GLY 19 2.533 -4.874 3.384
100 HA3 GLY 19 2HA GLY 19 3.413 -5.708 4.658
101 H LYS 20 H LYS 20 1.941 -2.498 4.813
102 HA LYS 20 HA LYS 20 0.440 -3.348 7.161
103 HB2 LYS 20 1HB LYS 20 1.785 -1.220 7.121
104 HB3 LYS 20 2HB LYS 20 0.627 -0.582 5.961
105 HG2 LYS 20 1HG LYS 20 -0.299 0.258 7.841
106 HG3 LYS 20 2HG LYS 20 -1.077 -1.326 7.871
107 HD2 LYS 20 1HD LYS 20 1.577 -1.122 9.166
108 HD3 LYS 20 2HD LYS 20 0.237 -0.298 9.969
109 HE2 LYS 20 1HE LYS 20 -0.886 -2.255 10.398
110 HE3 LYS 20 2HE LYS 20 -0.154 -3.100 9.034
111 HZ1 LYS 20 3HZ LYS 20 1.895 -2.429 10.794
112 HZ2 LYS 20 1HZ LYS 20 1.299 -3.971 10.436
113 HZ3 LYS 20 2HZ LYS 20 0.651 -3.094 11.728
114 H VAL 21 H VAL 21 -1.810 -3.031 7.390
115 HA VAL 21 HA VAL 21 -3.260 -2.946 4.826
116 HB VAL 21 HB VAL 21 -3.468 -5.113 5.901
117 HG11 VAL 21 1HG1 VAL 21 -4.332 -5.434 8.090
118 HG12 VAL 21 2HG1 VAL 21 -3.053 -4.225 8.221
119 HG13 VAL 21 3HG1 VAL 21 -4.745 -3.727 8.249
120 HG21 VAL 21 3HG2 VAL 21 -5.999 -3.485 6.132
121 HG22 VAL 21 1HG2 VAL 21 -5.393 -4.270 4.673
122 HG23 VAL 21 2HG2 VAL 21 -5.915 -5.244 6.048
123 H PHE 22 H PHE 22 -4.920 -1.547 4.566
124 HA PHE 22 HA PHE 22 -5.785 0.022 6.896
125 HB2 PHE 22 1HB PHE 22 -5.095 1.137 4.169
126 HB3 PHE 22 2HB PHE 22 -5.791 2.059 5.498
127 HD1 PHE 22 HD2 PHE 22 -2.787 0.331 4.289
128 HD2 PHE 22 HD1 PHE 22 -4.455 2.792 7.335
129 HE1 PHE 22 HE2 PHE 22 -0.526 0.822 5.126
130 HE2 PHE 22 HE1 PHE 22 -2.197 3.288 8.176
131 HZ PHE 22 HZ PHE 22 -0.228 2.301 7.072
132 H THR 23 H THR 23 -7.927 0.526 6.976
133 HA THR 23 HA THR 23 -9.683 -0.954 5.254
134 HB THR 23 HB THR 23 -10.487 1.093 7.323
135 HG1 THR 23 HG1 THR 23 -9.457 -1.485 7.589
136 HG21 THR 23 3HG2 THR 23 -12.294 0.386 5.868
137 HG22 THR 23 1HG2 THR 23 -12.516 -0.314 7.471
138 HG23 THR 23 2HG2 THR 23 -11.896 -1.308 6.153
139 H HIS 24 H HIS 24 -8.814 2.433 5.690
140 HA HIS 24 HA HIS 24 -10.521 3.123 3.392
141 HB2 HIS 24 1HB HIS 24 -10.711 4.261 5.777
142 HB3 HIS 24 2HB HIS 24 -9.366 5.224 5.172
143 HD1 HIS 24 HD1 HIS 24 -9.866 6.928 3.326
144 HD2 HIS 24 HD2 HIS 24 -13.174 4.692 4.472
145 HE1 HIS 24 HE1 HIS 24 -11.846 8.074 2.283
146 H LYS 25 H LYS 25 -9.435 3.276 1.553
147 HA LYS 25 HA LYS 25 -6.834 3.143 0.997
148 HB2 LYS 25 1HB LYS 25 -8.787 3.497 -0.619
149 HB3 LYS 25 2HB LYS 25 -8.508 5.220 -0.406
150 HG2 LYS 25 1HG LYS 25 -6.358 5.090 -1.376
151 HG3 LYS 25 2HG LYS 25 -6.357 3.326 -1.308
152 HD2 LYS 25 1HD LYS 25 -8.140 3.237 -2.954
153 HD3 LYS 25 2HD LYS 25 -8.232 5.000 -2.980
154 HE2 LYS 25 1HE LYS 25 -5.711 3.507 -3.653
155 HE3 LYS 25 2HE LYS 25 -6.938 3.878 -4.864
156 HZ1 LYS 25 3HZ LYS 25 -5.244 5.563 -4.873
157 HZ2 LYS 25 1HZ LYS 25 -5.441 5.843 -3.216
158 HZ3 LYS 25 2HZ LYS 25 -6.683 6.238 -4.295
159 H THR 26 H THR 26 -8.471 6.172 1.864
160 HA THR 26 HA THR 26 -6.410 7.966 1.589
161 HB THR 26 HB THR 26 -8.372 7.972 3.889
162 HG1 THR 26 HG1 THR 26 -9.851 8.655 2.501
163 HG21 THR 26 3HG2 THR 26 -7.414 10.436 2.532
164 HG22 THR 26 1HG2 THR 26 -6.301 9.619 3.628
165 HG23 THR 26 2HG2 THR 26 -7.868 10.177 4.216
166 H ASN 27 H ASN 27 -7.130 5.963 4.441
167 HA ASN 27 HA ASN 27 -5.087 6.876 6.094
168 HB2 ASN 27 1HB ASN 27 -7.065 5.179 6.505
169 HB3 ASN 27 2HB ASN 27 -5.832 3.979 6.127
170 HD21 ASN 27 1HD2 ASN 27 -3.621 4.760 7.266
171 HD22 ASN 27 2HD2 ASN 27 -3.800 4.982 8.970
172 H LEU 28 H LEU 28 -5.063 4.217 3.742
173 HA LEU 28 HA LEU 28 -2.475 3.291 4.222
174 HB2 LEU 28 1HB LEU 28 -3.757 1.901 2.896
175 HB3 LEU 28 2HB LEU 28 -4.314 3.223 1.872
176 HG LEU 28 HG LEU 28 -1.997 3.326 0.909
177 HD11 LEU 28 1HD1 LEU 28 -0.429 2.268 2.098
178 HD12 LEU 28 2HD1 LEU 28 -1.022 0.805 1.313
179 HD13 LEU 28 3HD1 LEU 28 -1.607 1.243 2.918
180 HD21 LEU 28 3HD2 LEU 28 -3.276 2.295 -0.626
181 HD22 LEU 28 1HD2 LEU 28 -3.988 1.194 0.554
182 HD23 LEU 28 2HD2 LEU 28 -2.395 0.852 -0.121
183 H ILE 29 H ILE 29 -3.620 5.754 1.934
184 HA ILE 29 HA ILE 29 -1.188 6.333 0.707
185 HB ILE 29 HB ILE 29 -3.434 8.264 1.301
186 HG12 ILE 29 1HG1 ILE 29 -2.956 6.697 -1.235
187 HG13 ILE 29 2HG1 ILE 29 -4.019 6.129 0.049
188 HG21 ILE 29 1HG2 ILE 29 -1.139 9.162 0.589
189 HG22 ILE 29 2HG2 ILE 29 -1.494 8.440 -0.979
190 HG23 ILE 29 3HG2 ILE 29 -2.552 9.690 -0.324
191 HD11 ILE 29 3HD1 ILE 29 -5.259 7.213 -1.742
192 HD12 ILE 29 1HD1 ILE 29 -5.417 8.097 -0.224
193 HD13 ILE 29 2HD1 ILE 29 -4.340 8.696 -1.486
194 H ILE 30 H ILE 30 -2.612 7.658 3.666
195 HA ILE 30 HA ILE 30 -0.695 9.636 4.168
196 HB ILE 30 HB ILE 30 -2.319 8.046 6.157
197 HG12 ILE 30 1HG1 ILE 30 -2.841 10.804 5.035
198 HG13 ILE 30 2HG1 ILE 30 -3.581 9.340 4.397
199 HG21 ILE 30 1HG2 ILE 30 -0.433 9.100 7.248
200 HG22 ILE 30 2HG2 ILE 30 -0.821 10.641 6.486
201 HG23 ILE 30 3HG2 ILE 30 -1.920 9.945 7.676
202 HD11 ILE 30 3HD1 ILE 30 -4.572 8.931 6.625
203 HD12 ILE 30 1HD1 ILE 30 -3.919 10.480 7.159
204 HD13 ILE 30 2HD1 ILE 30 -5.121 10.427 5.869
205 H HIS 31 H HIS 31 -0.838 6.247 5.215
206 HA HIS 31 HA HIS 31 1.507 6.291 6.776
207 HB2 HIS 31 1HB HIS 31 0.286 4.411 7.242
208 HB3 HIS 31 2HB HIS 31 -0.211 4.187 5.568
209 HD1 HIS 31 HD1 HIS 31 2.041 2.866 8.065
210 HD2 HIS 31 HD2 HIS 31 1.993 3.103 3.917
211 HE1 HIS 31 HE1 HIS 31 3.714 1.163 7.275
212 H GLN 32 H GLN 32 0.947 5.476 3.375
213 HA GLN 32 HA GLN 32 3.415 4.513 2.653
214 HB2 GLN 32 1HB GLN 32 1.517 6.279 1.109
215 HB3 GLN 32 2HB GLN 32 2.939 5.537 0.389
216 HG2 GLN 32 1HG GLN 32 2.083 3.359 0.708
217 HG3 GLN 32 2HG GLN 32 0.796 3.945 1.761
218 HE21 GLN 32 1HE2 GLN 32 -0.016 2.383 -0.176
219 HE22 GLN 32 2HE2 GLN 32 -0.767 3.264 -1.458
220 H LYS 33 H LYS 33 2.618 7.670 3.702
221 HA LYS 33 HA LYS 33 4.541 9.236 2.438
222 HB2 LYS 33 1HB LYS 33 3.480 9.471 5.260
223 HB3 LYS 33 2HB LYS 33 4.356 10.731 4.402
224 HG2 LYS 33 1HG LYS 33 1.873 9.589 3.207
225 HG3 LYS 33 2HG LYS 33 1.759 10.777 4.507
226 HD2 LYS 33 1HD LYS 33 2.689 12.459 3.232
227 HD3 LYS 33 2HD LYS 33 3.538 11.330 2.174
228 HE2 LYS 33 1HE LYS 33 1.621 10.857 0.940
229 HE3 LYS 33 2HE LYS 33 0.545 11.442 2.208
230 HZ1 LYS 33 3HZ LYS 33 1.890 13.663 1.639
231 HZ2 LYS 33 1HZ LYS 33 0.442 13.233 0.877
232 HZ3 LYS 33 2HZ LYS 33 1.922 12.916 0.122
233 H ILE 34 H ILE 34 4.852 6.928 5.024
234 HA ILE 34 HA ILE 34 7.419 7.777 5.928
235 HB ILE 34 HB ILE 34 7.481 5.819 7.250
236 HG12 ILE 34 1HG1 ILE 34 5.274 4.678 5.522
237 HG13 ILE 34 2HG1 ILE 34 6.972 4.227 5.411
238 HG21 ILE 34 1HG2 ILE 34 4.689 6.873 6.914
239 HG22 ILE 34 2HG2 ILE 34 5.106 5.704 8.166
240 HG23 ILE 34 3HG2 ILE 34 5.882 7.287 8.144
241 HD11 ILE 34 3HD1 ILE 34 6.618 2.666 6.929
242 HD12 ILE 34 1HD1 ILE 34 6.226 3.920 8.105
243 HD13 ILE 34 2HD1 ILE 34 4.949 3.198 7.126
244 H HIS 35 H HIS 35 6.411 6.271 3.111
245 HA HIS 35 HA HIS 35 9.078 5.098 2.672
246 HB2 HIS 35 1HB HIS 35 6.519 4.367 1.239
247 HB3 HIS 35 2HB HIS 35 8.079 3.562 1.095
248 HD1 HIS 35 HD1 HIS 35 8.933 2.475 3.489
249 HD2 HIS 35 HD2 HIS 35 4.868 3.195 3.031
250 HE1 HIS 35 HE1 HIS 35 7.799 1.053 5.226
251 H THR 36 H THR 36 7.919 7.888 2.238
252 HA THR 36 HA THR 36 8.781 8.138 -0.567
253 HB THR 36 HB THR 36 7.192 9.967 -0.899
254 HG1 THR 36 HG1 THR 36 5.523 10.174 0.799
255 HG21 THR 36 3HG2 THR 36 5.288 8.006 0.119
256 HG22 THR 36 1HG2 THR 36 6.591 7.279 -0.820
257 HG23 THR 36 2HG2 THR 36 5.586 8.539 -1.535
258 H GLY 37 H GLY 37 10.453 8.380 1.705
259 HA2 GLY 37 1HA GLY 37 12.055 9.779 2.569
260 HA3 GLY 37 2HA GLY 37 11.772 10.785 1.156
261 H GLU 38 H GLU 38 10.618 10.091 4.426
262 HA GLU 38 HA GLU 38 9.704 12.887 4.591
263 HB2 GLU 38 1HB GLU 38 8.359 10.366 5.448
264 HB3 GLU 38 2HB GLU 38 8.130 11.806 6.431
265 HG2 GLU 38 1HG GLU 38 7.722 12.025 3.498
266 HG3 GLU 38 2HG GLU 38 6.497 11.198 4.460
267 H ARG 39 H ARG 39 10.561 10.087 6.630
268 HA ARG 39 HA ARG 39 11.246 11.617 8.897
269 HB2 ARG 39 1HB ARG 39 12.013 8.822 8.055
270 HB3 ARG 39 2HB ARG 39 12.457 9.515 9.609
271 HG2 ARG 39 1HG ARG 39 10.077 9.816 10.136
272 HG3 ARG 39 2HG ARG 39 9.658 9.066 8.595
273 HD2 ARG 39 1HD ARG 39 9.521 7.235 9.943
274 HD3 ARG 39 2HD ARG 39 11.230 7.149 9.520
275 HE ARG 39 HE ARG 39 11.772 7.681 11.692
276 HH11 ARG 39 1HH1 ARG 39 8.366 8.178 11.169
277 HH12 ARG 39 2HH1 ARG 39 8.008 8.402 12.849
278 HH21 ARG 39 1HH2 ARG 39 11.313 7.975 13.907
279 HH22 ARG 39 2HH2 ARG 39 9.685 8.287 14.406
280 HA PRO 40 HA PRO 40 15.206 13.216 7.831
281 HB2 PRO 40 1HB PRO 40 16.218 13.563 10.327
282 HB3 PRO 40 2HB PRO 40 14.965 14.607 9.644
283 HG2 PRO 40 1HG PRO 40 14.689 12.306 11.539
284 HG3 PRO 40 2HG PRO 40 13.886 13.887 11.574
285 HD2 PRO 40 1HD PRO 40 12.667 11.654 10.645
286 HD3 PRO 40 2HD PRO 40 12.326 13.270 9.994
287 H SER 41 H SER 41 15.937 11.203 6.860
288 HA SER 41 HA SER 41 17.674 9.608 8.623
289 HB2 SER 41 1HB SER 41 15.844 8.382 7.425
290 HB3 SER 41 2HB SER 41 16.609 8.829 5.900
291 HG SER 41 HG SER 41 18.015 7.300 6.191
292 H GLY 42 H GLY 42 17.511 10.827 5.272
293 HA2 GLY 42 1HA GLY 42 20.215 11.802 5.424
294 HA3 GLY 42 2HA GLY 42 20.056 10.371 4.417
295 HA PRO 43 HA PRO 43 19.414 13.931 1.605
296 HB2 PRO 43 1HB PRO 43 20.595 12.729 -0.524
297 HB3 PRO 43 2HB PRO 43 21.507 13.596 0.718
298 HG2 PRO 43 1HG PRO 43 21.049 10.653 0.411
299 HG3 PRO 43 2HG PRO 43 22.540 11.516 0.834
300 HD2 PRO 43 1HD PRO 43 20.982 10.303 2.688
301 HD3 PRO 43 2HD PRO 43 21.915 11.772 3.038
302 H SER 44 H SER 44 17.606 14.184 0.449
303 HA SER 44 HA SER 44 16.310 11.780 -0.660
304 HB2 SER 44 1HB SER 44 15.121 12.811 1.299
305 HB3 SER 44 2HB SER 44 14.900 14.268 0.330
306 HG SER 44 HG SER 44 14.042 11.717 -0.543
307 H SER 45 H SER 45 15.394 11.910 -2.691
308 HA SER 45 HA SER 45 16.570 13.766 -4.489
309 HB2 SER 45 1HB SER 45 14.510 11.596 -4.756
310 HB3 SER 45 2HB SER 45 14.827 12.689 -6.103
311 HG SER 45 HG SER 45 17.000 11.475 -4.825
312 H GLY 46 H GLY 46 15.088 14.896 -6.170
313 HA2 GLY 46 1HA GLY 46 12.538 15.813 -5.564
314 HA3 GLY 46 2HA GLY 46 13.659 16.924 -4.792
Start of MODEL 12
1 H1 GLY 1 H GLY 1 10.359 -20.771 -10.889
2 HA2 GLY 1 1HA GLY 1 9.226 -18.475 -11.769
3 HA3 GLY 1 2HA GLY 1 8.722 -19.642 -12.983
4 H SER 2 H SER 2 7.719 -18.123 -10.295
5 HA SER 2 HA SER 2 6.332 -20.384 -9.089
6 HB2 SER 2 1HB SER 2 7.432 -18.305 -7.875
7 HB3 SER 2 2HB SER 2 5.869 -17.562 -8.214
8 HG SER 2 HG SER 2 6.056 -20.106 -7.006
9 H SER 3 H SER 3 4.013 -20.300 -8.712
10 HA SER 3 HA SER 3 2.501 -20.047 -10.988
11 HB2 SER 3 1HB SER 3 1.899 -21.150 -8.738
12 HB3 SER 3 2HB SER 3 1.304 -19.559 -8.266
13 HG SER 3 HG SER 3 -0.431 -20.018 -9.335
14 H GLY 4 H GLY 4 2.497 -17.729 -8.270
15 HA2 GLY 4 1HA GLY 4 2.824 -15.372 -9.506
16 HA3 GLY 4 2HA GLY 4 1.159 -15.751 -9.922
17 H SER 5 H SER 5 2.188 -13.540 -8.329
18 HA SER 5 HA SER 5 0.969 -14.171 -5.723
19 HB2 SER 5 1HB SER 5 2.943 -11.986 -6.426
20 HB3 SER 5 2HB SER 5 2.246 -12.255 -4.829
21 HG SER 5 HG SER 5 3.185 -14.543 -5.363
22 H SER 6 H SER 6 -1.025 -13.433 -5.492
23 HA SER 6 HA SER 6 -1.693 -10.781 -6.553
24 HB2 SER 6 1HB SER 6 -2.508 -12.610 -8.105
25 HB3 SER 6 2HB SER 6 -3.569 -13.139 -6.799
26 HG SER 6 HG SER 6 -3.554 -10.501 -7.836
27 H GLY 7 H GLY 7 -3.412 -9.713 -5.460
28 HA2 GLY 7 1HA GLY 7 -4.325 -10.972 -2.966
29 HA3 GLY 7 2HA GLY 7 -3.497 -9.424 -2.880
30 H THR 8 H THR 8 -4.572 -8.153 -5.106
31 HA THR 8 HA THR 8 -6.717 -6.812 -4.242
32 HB THR 8 HB THR 8 -7.458 -6.538 -6.642
33 HG1 THR 8 HG1 THR 8 -5.186 -7.765 -7.592
34 HG21 THR 8 3HG2 THR 8 -5.749 -5.070 -7.093
35 HG22 THR 8 1HG2 THR 8 -4.498 -6.192 -6.560
36 HG23 THR 8 2HG2 THR 8 -5.482 -5.339 -5.371
37 H GLY 9 H GLY 9 -8.562 -7.479 -3.363
38 HA2 GLY 9 1HA GLY 9 -10.752 -8.473 -4.392
39 HA3 GLY 9 2HA GLY 9 -9.803 -9.951 -4.337
40 H GLU 10 H GLU 10 -8.734 -10.296 -2.084
41 HA GLU 10 HA GLU 10 -10.905 -10.362 -0.185
42 HB2 GLU 10 1HB GLU 10 -9.478 -12.315 -0.416
43 HB3 GLU 10 2HB GLU 10 -8.058 -11.361 -0.009
44 HG2 GLU 10 1HG GLU 10 -8.623 -12.586 1.921
45 HG3 GLU 10 2HG GLU 10 -9.117 -10.921 2.223
46 H ASN 11 H ASN 11 -7.565 -9.109 -0.122
47 HA ASN 11 HA ASN 11 -8.068 -7.602 2.279
48 HB2 ASN 11 1HB ASN 11 -5.785 -7.037 2.238
49 HB3 ASN 11 2HB ASN 11 -5.837 -8.658 1.552
50 HD21 ASN 11 1HD2 ASN 11 -5.901 -8.784 -0.827
51 HD22 ASN 11 2HD2 ASN 11 -4.996 -7.620 -1.727
52 HA PRO 12 HA PRO 12 -9.587 -3.928 0.377
53 HB2 PRO 12 1HB PRO 12 -9.046 -2.180 2.382
54 HB3 PRO 12 2HB PRO 12 -10.363 -3.356 2.463
55 HG2 PRO 12 1HG PRO 12 -7.624 -3.494 3.663
56 HG3 PRO 12 2HG PRO 12 -9.184 -3.936 4.381
57 HD2 PRO 12 1HD PRO 12 -7.475 -5.774 3.365
58 HD3 PRO 12 2HD PRO 12 -9.238 -5.979 3.317
59 H PHE 13 H PHE 13 -6.508 -3.488 2.134
60 HA PHE 13 HA PHE 13 -5.182 -2.524 -0.216
61 HB2 PHE 13 1HB PHE 13 -5.712 -0.569 2.031
62 HB3 PHE 13 2HB PHE 13 -4.676 -0.273 0.639
63 HD1 PHE 13 HD2 PHE 13 -5.723 -0.255 -1.657
64 HD2 PHE 13 HD1 PHE 13 -8.012 -0.175 1.930
65 HE1 PHE 13 HE2 PHE 13 -7.657 0.599 -2.915
66 HE2 PHE 13 HE1 PHE 13 -9.951 0.678 0.678
67 HZ PHE 13 HZ PHE 13 -9.775 1.067 -1.748
68 H ILE 14 H ILE 14 -3.113 -3.092 -0.081
69 HA ILE 14 HA ILE 14 -1.906 -3.377 2.592
70 HB ILE 14 HB ILE 14 -1.656 -5.250 0.242
71 HG12 ILE 14 1HG1 ILE 14 -2.411 -5.818 3.112
72 HG13 ILE 14 2HG1 ILE 14 -3.591 -5.488 1.848
73 HG21 ILE 14 1HG2 ILE 14 -0.175 -6.408 2.189
74 HG22 ILE 14 2HG2 ILE 14 0.492 -5.440 0.876
75 HG23 ILE 14 3HG2 ILE 14 0.200 -4.705 2.452
76 HD11 ILE 14 3HD1 ILE 14 -1.604 -7.744 1.776
77 HD12 ILE 14 1HD1 ILE 14 -3.276 -7.890 2.316
78 HD13 ILE 14 2HD1 ILE 14 -2.924 -7.451 0.644
79 H CYS 15 H CYS 15 -0.306 -1.972 2.812
80 HA CYS 15 HA CYS 15 0.827 -0.393 0.873
81 HB2 CYS 15 1HB CYS 15 1.056 -0.230 3.418
82 HB3 CYS 15 2HB CYS 15 2.393 -1.364 3.259
83 H SER 16 H SER 16 2.107 -0.762 -0.803
84 HA SER 16 HA SER 16 3.351 -3.354 -1.132
85 HB2 SER 16 1HB SER 16 2.984 -0.954 -2.908
86 HB3 SER 16 2HB SER 16 4.080 -2.257 -3.367
87 HG SER 16 HG SER 16 1.934 -2.533 -4.180
88 H GLU 17 H GLU 17 4.365 -1.529 0.934
89 HA GLU 17 HA GLU 17 7.154 -1.399 0.009
90 HB2 GLU 17 1HB GLU 17 5.779 0.643 1.764
91 HB3 GLU 17 2HB GLU 17 7.481 0.651 1.323
92 HG2 GLU 17 1HG GLU 17 6.617 0.708 -1.106
93 HG3 GLU 17 2HG GLU 17 5.092 1.213 -0.381
94 H CYS 18 H CYS 18 4.913 -1.722 2.706
95 HA CYS 18 HA CYS 18 7.043 -3.086 4.218
96 HB2 CYS 18 1HB CYS 18 5.963 -2.283 6.294
97 HB3 CYS 18 2HB CYS 18 6.546 -0.959 5.290
98 H GLY 19 H GLY 19 3.526 -2.798 3.769
99 HA2 GLY 19 1HA GLY 19 2.308 -4.852 3.216
100 HA3 GLY 19 2HA GLY 19 3.333 -5.683 4.377
101 H LYS 20 H LYS 20 1.574 -2.607 4.637
102 HA LYS 20 HA LYS 20 0.305 -3.645 7.074
103 HB2 LYS 20 1HB LYS 20 1.716 -1.438 6.938
104 HB3 LYS 20 2HB LYS 20 0.236 -0.759 6.272
105 HG2 LYS 20 1HG LYS 20 -0.966 -1.167 8.252
106 HG3 LYS 20 2HG LYS 20 0.288 -2.236 8.885
107 HD2 LYS 20 1HD LYS 20 0.976 0.600 8.264
108 HD3 LYS 20 2HD LYS 20 0.071 0.240 9.737
109 HE2 LYS 20 1HE LYS 20 1.966 -1.596 9.999
110 HE3 LYS 20 2HE LYS 20 2.862 -0.460 8.992
111 HZ1 LYS 20 3HZ LYS 20 3.153 -0.087 11.398
112 HZ2 LYS 20 1HZ LYS 20 1.504 0.267 11.530
113 HZ3 LYS 20 2HZ LYS 20 2.510 1.259 10.600
114 H VAL 21 H VAL 21 -1.898 -3.598 7.361
115 HA VAL 21 HA VAL 21 -3.473 -3.192 4.917
116 HB VAL 21 HB VAL 21 -4.310 -4.626 7.439
117 HG11 VAL 21 1HG1 VAL 21 -6.211 -5.308 6.312
118 HG12 VAL 21 2HG1 VAL 21 -6.009 -3.654 5.729
119 HG13 VAL 21 3HG1 VAL 21 -5.501 -5.013 4.724
120 HG21 VAL 21 3HG2 VAL 21 -2.676 -6.055 6.730
121 HG22 VAL 21 1HG2 VAL 21 -4.013 -6.628 5.732
122 HG23 VAL 21 2HG2 VAL 21 -2.803 -5.543 5.047
123 H PHE 22 H PHE 22 -4.843 -1.543 4.753
124 HA PHE 22 HA PHE 22 -5.605 -0.113 7.215
125 HB2 PHE 22 1HB PHE 22 -5.406 1.148 4.482
126 HB3 PHE 22 2HB PHE 22 -5.528 1.954 6.042
127 HD1 PHE 22 HD2 PHE 22 -3.293 -0.398 4.206
128 HD2 PHE 22 HD1 PHE 22 -3.617 2.808 6.986
129 HE1 PHE 22 HE2 PHE 22 -0.840 -0.249 4.314
130 HE2 PHE 22 HE1 PHE 22 -1.163 2.963 7.098
131 HZ PHE 22 HZ PHE 22 0.228 1.432 5.762
132 H THR 23 H THR 23 -7.707 0.769 7.322
133 HA THR 23 HA THR 23 -9.700 -0.840 6.040
134 HB THR 23 HB THR 23 -9.993 1.570 7.843
135 HG1 THR 23 HG1 THR 23 -10.340 -1.204 8.401
136 HG21 THR 23 3HG2 THR 23 -12.239 1.398 7.730
137 HG22 THR 23 1HG2 THR 23 -12.201 -0.361 7.611
138 HG23 THR 23 2HG2 THR 23 -11.920 0.627 6.177
139 H HIS 24 H HIS 24 -8.860 2.617 5.941
140 HA HIS 24 HA HIS 24 -10.422 2.837 3.452
141 HB2 HIS 24 1HB HIS 24 -10.417 5.327 3.996
142 HB3 HIS 24 2HB HIS 24 -11.399 4.300 5.037
143 HD1 HIS 24 HD1 HIS 24 -9.210 7.030 5.295
144 HD2 HIS 24 HD2 HIS 24 -9.638 3.493 7.433
145 HE1 HIS 24 HE1 HIS 24 -8.103 7.448 7.515
146 H LYS 25 H LYS 25 -9.283 3.073 1.655
147 HA LYS 25 HA LYS 25 -6.664 2.976 1.233
148 HB2 LYS 25 1HB LYS 25 -8.220 3.124 -0.614
149 HB3 LYS 25 2HB LYS 25 -8.582 4.800 -0.225
150 HG2 LYS 25 1HG LYS 25 -6.345 5.468 -0.831
151 HG3 LYS 25 2HG LYS 25 -5.888 3.786 -1.108
152 HD2 LYS 25 1HD LYS 25 -8.222 4.894 -2.591
153 HD3 LYS 25 2HD LYS 25 -6.598 5.362 -3.101
154 HE2 LYS 25 1HE LYS 25 -6.078 2.853 -3.077
155 HE3 LYS 25 2HE LYS 25 -7.825 2.623 -3.012
156 HZ1 LYS 25 3HZ LYS 25 -6.373 4.121 -5.126
157 HZ2 LYS 25 1HZ LYS 25 -8.042 3.849 -5.070
158 HZ3 LYS 25 2HZ LYS 25 -6.979 2.550 -5.283
159 H THR 26 H THR 26 -8.317 6.113 1.631
160 HA THR 26 HA THR 26 -6.362 7.916 1.517
161 HB THR 26 HB THR 26 -8.233 7.844 3.889
162 HG1 THR 26 HG1 THR 26 -9.711 7.893 2.366
163 HG21 THR 26 3HG2 THR 26 -6.241 9.606 3.403
164 HG22 THR 26 1HG2 THR 26 -7.738 10.025 4.236
165 HG23 THR 26 2HG2 THR 26 -7.561 10.366 2.514
166 H ASN 27 H ASN 27 -6.954 5.972 4.446
167 HA ASN 27 HA ASN 27 -4.859 6.934 5.990
168 HB2 ASN 27 1HB ASN 27 -6.801 5.197 6.486
169 HB3 ASN 27 2HB ASN 27 -5.530 4.028 6.137
170 HD21 ASN 27 1HD2 ASN 27 -6.623 6.524 8.286
171 HD22 ASN 27 2HD2 ASN 27 -5.512 6.189 9.566
172 H LEU 28 H LEU 28 -4.882 4.184 3.740
173 HA LEU 28 HA LEU 28 -2.244 3.353 4.139
174 HB2 LEU 28 1HB LEU 28 -3.588 1.865 2.970
175 HB3 LEU 28 2HB LEU 28 -4.178 3.111 1.871
176 HG LEU 28 HG LEU 28 -1.860 3.154 0.868
177 HD11 LEU 28 1HD1 LEU 28 -1.400 0.435 1.940
178 HD12 LEU 28 2HD1 LEU 28 -1.062 1.792 3.015
179 HD13 LEU 28 3HD1 LEU 28 -0.246 1.678 1.456
180 HD21 LEU 28 3HD2 LEU 28 -2.582 1.731 -0.711
181 HD22 LEU 28 1HD2 LEU 28 -4.040 1.645 0.278
182 HD23 LEU 28 2HD2 LEU 28 -2.795 0.406 0.435
183 H ILE 29 H ILE 29 -3.583 5.625 1.758
184 HA ILE 29 HA ILE 29 -1.234 6.206 0.384
185 HB ILE 29 HB ILE 29 -3.540 8.070 0.960
186 HG12 ILE 29 1HG1 ILE 29 -3.047 6.426 -1.523
187 HG13 ILE 29 2HG1 ILE 29 -4.036 5.850 -0.185
188 HG21 ILE 29 1HG2 ILE 29 -2.727 9.072 -1.264
189 HG22 ILE 29 2HG2 ILE 29 -1.828 9.454 0.203
190 HG23 ILE 29 3HG2 ILE 29 -1.212 8.240 -0.918
191 HD11 ILE 29 3HD1 ILE 29 -5.178 6.961 -2.203
192 HD12 ILE 29 1HD1 ILE 29 -5.697 7.408 -0.578
193 HD13 ILE 29 2HD1 ILE 29 -4.623 8.473 -1.486
194 H ILE 30 H ILE 30 -2.608 7.773 3.259
195 HA ILE 30 HA ILE 30 -0.563 9.717 3.519
196 HB ILE 30 HB ILE 30 -2.367 8.618 5.677
197 HG12 ILE 30 1HG1 ILE 30 -2.758 11.074 3.957
198 HG13 ILE 30 2HG1 ILE 30 -3.549 9.530 3.658
199 HG21 ILE 30 1HG2 ILE 30 -0.303 9.941 6.346
200 HG22 ILE 30 2HG2 ILE 30 -1.074 11.327 5.579
201 HG23 ILE 30 3HG2 ILE 30 -1.852 10.531 6.946
202 HD11 ILE 30 3HD1 ILE 30 -4.032 10.180 6.351
203 HD12 ILE 30 1HD1 ILE 30 -4.323 11.640 5.405
204 HD13 ILE 30 2HD1 ILE 30 -5.179 10.148 5.011
205 H HIS 31 H HIS 31 -0.963 6.447 4.738
206 HA HIS 31 HA HIS 31 1.189 6.518 6.588
207 HB2 HIS 31 1HB HIS 31 -0.248 4.766 7.030
208 HB3 HIS 31 2HB HIS 31 -0.465 4.374 5.327
209 HD1 HIS 31 HD1 HIS 31 1.243 3.247 8.293
210 HD2 HIS 31 HD2 HIS 31 1.967 3.089 4.205
211 HE1 HIS 31 HE1 HIS 31 2.956 1.433 7.984
212 H GLN 32 H GLN 32 0.918 5.324 3.253
213 HA GLN 32 HA GLN 32 3.428 4.266 2.897
214 HB2 GLN 32 1HB GLN 32 1.719 5.825 0.958
215 HB3 GLN 32 2HB GLN 32 3.179 4.967 0.485
216 HG2 GLN 32 1HG GLN 32 2.239 2.880 0.917
217 HG3 GLN 32 2HG GLN 32 0.946 3.565 1.900
218 HE21 GLN 32 1HE2 GLN 32 0.624 1.758 -0.265
219 HE22 GLN 32 2HE2 GLN 32 -0.292 2.564 -1.487
220 H LYS 33 H LYS 33 2.590 7.533 3.454
221 HA LYS 33 HA LYS 33 4.655 8.906 2.177
222 HB2 LYS 33 1HB LYS 33 3.230 9.506 4.773
223 HB3 LYS 33 2HB LYS 33 4.318 10.631 3.971
224 HG2 LYS 33 1HG LYS 33 2.734 10.238 1.927
225 HG3 LYS 33 2HG LYS 33 1.593 9.735 3.176
226 HD2 LYS 33 1HD LYS 33 1.927 11.886 4.322
227 HD3 LYS 33 2HD LYS 33 3.029 12.386 3.037
228 HE2 LYS 33 1HE LYS 33 0.224 11.516 2.432
229 HE3 LYS 33 2HE LYS 33 0.578 13.169 2.932
230 HZ1 LYS 33 3HZ LYS 33 1.079 13.595 0.831
231 HZ2 LYS 33 1HZ LYS 33 0.917 11.969 0.393
232 HZ3 LYS 33 2HZ LYS 33 2.404 12.551 0.952
233 H ILE 34 H ILE 34 4.647 7.009 5.102
234 HA ILE 34 HA ILE 34 7.031 7.950 6.255
235 HB ILE 34 HB ILE 34 7.045 5.977 7.590
236 HG12 ILE 34 1HG1 ILE 34 5.013 4.747 5.722
237 HG13 ILE 34 2HG1 ILE 34 6.739 4.411 5.632
238 HG21 ILE 34 1HG2 ILE 34 4.424 5.772 7.999
239 HG22 ILE 34 2HG2 ILE 34 5.347 7.193 8.481
240 HG23 ILE 34 3HG2 ILE 34 4.422 7.211 6.980
241 HD11 ILE 34 3HD1 ILE 34 4.760 3.216 7.287
242 HD12 ILE 34 1HD1 ILE 34 6.467 2.805 7.120
243 HD13 ILE 34 2HD1 ILE 34 5.961 4.008 8.308
244 H HIS 35 H HIS 35 6.583 6.416 3.335
245 HA HIS 35 HA HIS 35 9.312 5.305 3.354
246 HB2 HIS 35 1HB HIS 35 7.111 4.635 1.396
247 HB3 HIS 35 2HB HIS 35 8.653 3.808 1.597
248 HD1 HIS 35 HD1 HIS 35 8.868 2.925 4.319
249 HD2 HIS 35 HD2 HIS 35 5.135 3.194 2.516
250 HE1 HIS 35 HE1 HIS 35 7.363 1.424 5.662
251 H THR 36 H THR 36 8.133 8.100 2.772
252 HA THR 36 HA THR 36 9.589 8.481 0.240
253 HB THR 36 HB THR 36 8.009 10.353 -0.282
254 HG1 THR 36 HG1 THR 36 6.079 10.460 0.875
255 HG21 THR 36 3HG2 THR 36 7.831 7.970 -1.178
256 HG22 THR 36 1HG2 THR 36 6.383 8.970 -1.284
257 HG23 THR 36 2HG2 THR 36 6.522 7.750 -0.017
258 H GLY 37 H GLY 37 11.384 9.577 0.694
259 HA2 GLY 37 1HA GLY 37 11.273 12.161 1.897
260 HA3 GLY 37 2HA GLY 37 11.969 10.980 2.997
261 H GLU 38 H GLU 38 13.763 12.655 2.682
262 HA GLU 38 HA GLU 38 15.400 11.903 0.350
263 HB2 GLU 38 1HB GLU 38 15.284 14.467 1.933
264 HB3 GLU 38 2HB GLU 38 16.608 14.091 0.840
265 HG2 GLU 38 1HG GLU 38 13.774 14.015 -0.110
266 HG3 GLU 38 2HG GLU 38 14.657 15.537 -0.008
267 H ARG 39 H ARG 39 17.839 12.332 0.870
268 HA ARG 39 HA ARG 39 18.549 11.574 3.591
269 HB2 ARG 39 1HB ARG 39 19.908 9.667 2.845
270 HB3 ARG 39 2HB ARG 39 18.202 9.424 2.494
271 HG2 ARG 39 1HG ARG 39 20.011 10.555 0.405
272 HG3 ARG 39 2HG ARG 39 19.983 8.818 0.715
273 HD2 ARG 39 1HD ARG 39 17.594 10.521 0.013
274 HD3 ARG 39 2HD ARG 39 18.454 9.453 -1.095
275 HE ARG 39 HE ARG 39 17.421 8.178 1.285
276 HH11 ARG 39 1HH1 ARG 39 16.841 9.043 -2.037
277 HH12 ARG 39 2HH1 ARG 39 15.634 7.824 -2.280
278 HH21 ARG 39 1HH2 ARG 39 15.833 6.569 0.977
279 HH22 ARG 39 2HH2 ARG 39 15.061 6.418 -0.565
280 HA PRO 40 HA PRO 40 21.893 14.311 2.735
281 HB2 PRO 40 1HB PRO 40 23.550 13.580 4.758
282 HB3 PRO 40 2HB PRO 40 22.086 14.537 5.013
283 HG2 PRO 40 1HG PRO 40 22.520 11.601 5.401
284 HG3 PRO 40 2HG PRO 40 21.655 12.751 6.438
285 HD2 PRO 40 1HD PRO 40 20.376 11.073 4.739
286 HD3 PRO 40 2HD PRO 40 19.754 12.688 5.135
287 H SER 41 H SER 41 24.459 14.099 2.817
288 HA SER 41 HA SER 41 25.110 11.785 1.125
289 HB2 SER 41 1HB SER 41 26.854 13.119 0.143
290 HB3 SER 41 2HB SER 41 25.385 14.095 0.165
291 HG SER 41 HG SER 41 26.196 15.095 2.073
292 H GLY 42 H GLY 42 25.042 11.510 3.953
293 HA2 GLY 42 1HA GLY 42 27.919 11.126 4.515
294 HA3 GLY 42 2HA GLY 42 26.758 11.576 5.755
295 HA PRO 43 HA PRO 43 27.229 6.851 5.180
296 HB2 PRO 43 1HB PRO 43 28.940 6.328 7.221
297 HB3 PRO 43 2HB PRO 43 29.485 6.659 5.572
298 HG2 PRO 43 1HG PRO 43 29.364 8.497 7.932
299 HG3 PRO 43 2HG PRO 43 30.647 8.312 6.722
300 HD2 PRO 43 1HD PRO 43 28.841 10.327 6.634
301 HD3 PRO 43 2HD PRO 43 29.544 9.610 5.170
302 H SER 44 H SER 44 25.123 6.672 5.920
303 HA SER 44 HA SER 44 24.453 7.244 8.665
304 HB2 SER 44 1HB SER 44 22.840 5.935 6.463
305 HB3 SER 44 2HB SER 44 22.205 6.405 8.039
306 HG SER 44 HG SER 44 22.445 7.901 5.872
307 H SER 45 H SER 45 26.496 5.442 8.672
308 HA SER 45 HA SER 45 27.130 3.277 9.172
309 HB2 SER 45 1HB SER 45 26.339 4.427 11.307
310 HB3 SER 45 2HB SER 45 24.848 3.501 11.137
311 HG SER 45 HG SER 45 26.103 1.600 11.227
312 H GLY 46 H GLY 46 25.440 3.203 6.959
313 HA2 GLY 46 1HA GLY 46 23.182 1.639 7.044
314 HA3 GLY 46 2HA GLY 46 24.332 1.616 5.716
Start of MODEL 13
1 H1 GLY 1 H GLY 1 3.642 -24.435 -14.279
2 HA2 GLY 1 1HA GLY 1 2.475 -22.389 -13.842
3 HA3 GLY 1 2HA GLY 1 0.960 -23.240 -14.105
4 H SER 2 H SER 2 1.004 -21.738 -11.939
5 HA SER 2 HA SER 2 0.951 -23.693 -9.788
6 HB2 SER 2 1HB SER 2 2.175 -22.121 -8.250
7 HB3 SER 2 2HB SER 2 3.182 -22.835 -9.510
8 HG SER 2 HG SER 2 1.951 -20.407 -10.091
9 H SER 3 H SER 3 -0.502 -23.203 -8.160
10 HA SER 3 HA SER 3 -2.242 -20.895 -8.712
11 HB2 SER 3 1HB SER 3 -3.084 -23.381 -8.755
12 HB3 SER 3 2HB SER 3 -3.095 -23.205 -7.001
13 HG SER 3 HG SER 3 -4.394 -21.423 -8.785
14 H GLY 4 H GLY 4 -2.384 -19.310 -7.259
15 HA2 GLY 4 1HA GLY 4 -1.281 -19.821 -4.564
16 HA3 GLY 4 2HA GLY 4 -1.127 -18.286 -5.406
17 H SER 5 H SER 5 -3.236 -20.365 -3.580
18 HA SER 5 HA SER 5 -4.810 -18.128 -2.729
19 HB2 SER 5 1HB SER 5 -5.943 -18.530 -4.840
20 HB3 SER 5 2HB SER 5 -6.102 -20.246 -4.465
21 HG SER 5 HG SER 5 -7.160 -18.998 -2.438
22 H SER 6 H SER 6 -5.534 -18.476 -0.720
23 HA SER 6 HA SER 6 -5.406 -21.230 0.311
24 HB2 SER 6 1HB SER 6 -3.848 -19.561 1.337
25 HB3 SER 6 2HB SER 6 -5.255 -18.654 1.893
26 HG SER 6 HG SER 6 -5.026 -21.384 2.512
27 H GLY 7 H GLY 7 -7.191 -18.184 0.849
28 HA2 GLY 7 1HA GLY 7 -9.742 -19.222 0.504
29 HA3 GLY 7 2HA GLY 7 -9.349 -19.438 2.204
30 H THR 8 H THR 8 -9.241 -17.666 3.558
31 HA THR 8 HA THR 8 -10.845 -15.448 2.862
32 HB THR 8 HB THR 8 -8.962 -15.772 5.206
33 HG1 THR 8 HG1 THR 8 -11.765 -15.992 5.348
34 HG21 THR 8 3HG2 THR 8 -10.301 -13.474 4.313
35 HG22 THR 8 1HG2 THR 8 -9.528 -13.723 5.878
36 HG23 THR 8 2HG2 THR 8 -11.243 -14.082 5.674
37 H GLY 9 H GLY 9 -10.125 -14.174 1.229
38 HA2 GLY 9 1HA GLY 9 -7.634 -12.698 1.741
39 HA3 GLY 9 2HA GLY 9 -7.875 -13.450 0.171
40 H GLU 10 H GLU 10 -9.983 -11.561 2.340
41 HA GLU 10 HA GLU 10 -10.731 -9.918 0.026
42 HB2 GLU 10 1HB GLU 10 -12.093 -10.322 2.693
43 HB3 GLU 10 2HB GLU 10 -12.657 -9.213 1.452
44 HG2 GLU 10 1HG GLU 10 -13.222 -10.950 -0.008
45 HG3 GLU 10 2HG GLU 10 -12.275 -12.131 0.894
46 H ASN 11 H ASN 11 -8.255 -9.349 1.044
47 HA ASN 11 HA ASN 11 -8.242 -7.365 3.060
48 HB2 ASN 11 1HB ASN 11 -5.988 -6.768 1.836
49 HB3 ASN 11 2HB ASN 11 -6.142 -8.272 2.739
50 HD21 ASN 11 1HD2 ASN 11 -5.945 -6.820 -0.404
51 HD22 ASN 11 2HD2 ASN 11 -5.661 -8.279 -1.285
52 HA PRO 12 HA PRO 12 -9.907 -3.957 0.780
53 HB2 PRO 12 1HB PRO 12 -9.229 -2.005 2.541
54 HB3 PRO 12 2HB PRO 12 -10.566 -3.127 2.819
55 HG2 PRO 12 1HG PRO 12 -7.775 -3.201 3.899
56 HG3 PRO 12 2HG PRO 12 -9.307 -3.514 4.735
57 HD2 PRO 12 1HD PRO 12 -7.691 -5.504 3.862
58 HD3 PRO 12 2HD PRO 12 -9.458 -5.665 3.919
59 H PHE 13 H PHE 13 -6.733 -3.412 2.325
60 HA PHE 13 HA PHE 13 -5.516 -2.745 -0.185
61 HB2 PHE 13 1HB PHE 13 -5.710 -0.541 1.874
62 HB3 PHE 13 2HB PHE 13 -4.970 -0.445 0.280
63 HD1 PHE 13 HD2 PHE 13 -6.408 -0.522 -1.747
64 HD2 PHE 13 HD1 PHE 13 -8.027 -0.216 2.178
65 HE1 PHE 13 HE2 PHE 13 -8.544 0.248 -2.692
66 HE2 PHE 13 HE1 PHE 13 -10.167 0.554 1.238
67 HZ PHE 13 HZ PHE 13 -10.427 0.788 -1.200
68 H ILE 14 H ILE 14 -3.288 -2.814 -0.101
69 HA ILE 14 HA ILE 14 -2.075 -3.255 2.543
70 HB ILE 14 HB ILE 14 -1.731 -4.934 0.069
71 HG12 ILE 14 1HG1 ILE 14 -2.268 -5.716 2.940
72 HG13 ILE 14 2HG1 ILE 14 -3.529 -5.482 1.734
73 HG21 ILE 14 1HG2 ILE 14 0.133 -4.519 2.362
74 HG22 ILE 14 2HG2 ILE 14 0.021 -6.108 1.607
75 HG23 ILE 14 3HG2 ILE 14 0.487 -4.706 0.644
76 HD11 ILE 14 3HD1 ILE 14 -1.408 -7.597 1.826
77 HD12 ILE 14 1HD1 ILE 14 -3.161 -7.791 1.829
78 HD13 ILE 14 2HD1 ILE 14 -2.336 -7.251 0.366
79 H CYS 15 H CYS 15 0.074 -2.610 2.774
80 HA CYS 15 HA CYS 15 0.916 -0.579 0.869
81 HB2 CYS 15 1HB CYS 15 0.902 -0.180 3.356
82 HB3 CYS 15 2HB CYS 15 2.221 -1.338 3.487
83 H SER 16 H SER 16 1.676 -1.753 -0.881
84 HA SER 16 HA SER 16 3.251 -3.990 -0.932
85 HB2 SER 16 1HB SER 16 2.288 -2.687 -2.905
86 HB3 SER 16 2HB SER 16 3.723 -1.667 -2.801
87 HG SER 16 HG SER 16 3.764 -3.586 -4.263
88 H GLU 17 H GLU 17 4.104 -0.872 0.197
89 HA GLU 17 HA GLU 17 6.921 -1.044 -0.168
90 HB2 GLU 17 1HB GLU 17 5.470 0.572 1.928
91 HB3 GLU 17 2HB GLU 17 7.064 0.881 1.253
92 HG2 GLU 17 1HG GLU 17 5.701 1.016 -1.000
93 HG3 GLU 17 2HG GLU 17 4.379 1.400 0.101
94 H CYS 18 H CYS 18 4.920 -1.361 2.771
95 HA CYS 18 HA CYS 18 7.093 -2.932 3.981
96 HB2 CYS 18 1HB CYS 18 5.954 -2.415 6.147
97 HB3 CYS 18 2HB CYS 18 6.546 -0.992 5.296
98 H GLY 19 H GLY 19 3.541 -2.818 3.730
99 HA2 GLY 19 1HA GLY 19 2.559 -4.990 2.935
100 HA3 GLY 19 2HA GLY 19 3.526 -5.735 4.200
101 H LYS 20 H LYS 20 2.145 -2.674 4.912
102 HA LYS 20 HA LYS 20 0.494 -3.861 6.963
103 HB2 LYS 20 1HB LYS 20 1.428 -1.133 6.267
104 HB3 LYS 20 2HB LYS 20 -0.102 -1.242 7.127
105 HG2 LYS 20 1HG LYS 20 0.864 -1.989 9.042
106 HG3 LYS 20 2HG LYS 20 2.178 -2.805 8.193
107 HD2 LYS 20 1HD LYS 20 2.876 -0.352 7.570
108 HD3 LYS 20 2HD LYS 20 1.917 0.057 8.995
109 HE2 LYS 20 1HE LYS 20 3.270 -1.551 10.307
110 HE3 LYS 20 2HE LYS 20 4.270 -1.827 8.882
111 HZ1 LYS 20 3HZ LYS 20 4.236 0.887 9.172
112 HZ2 LYS 20 1HZ LYS 20 5.500 -0.146 9.614
113 HZ3 LYS 20 2HZ LYS 20 4.350 0.321 10.762
114 H VAL 21 H VAL 21 -1.771 -3.385 7.231
115 HA VAL 21 HA VAL 21 -3.156 -2.960 4.662
116 HB VAL 21 HB VAL 21 -4.005 -4.703 6.978
117 HG11 VAL 21 1HG1 VAL 21 -5.583 -3.391 5.028
118 HG12 VAL 21 2HG1 VAL 21 -5.566 -5.112 4.635
119 HG13 VAL 21 3HG1 VAL 21 -6.090 -4.576 6.232
120 HG21 VAL 21 3HG2 VAL 21 -2.224 -5.297 5.000
121 HG22 VAL 21 1HG2 VAL 21 -3.208 -6.480 5.863
122 HG23 VAL 21 2HG2 VAL 21 -3.742 -5.861 4.300
123 H PHE 22 H PHE 22 -4.697 -1.433 4.566
124 HA PHE 22 HA PHE 22 -5.542 -0.174 7.091
125 HB2 PHE 22 1HB PHE 22 -4.984 1.197 4.452
126 HB3 PHE 22 2HB PHE 22 -5.614 1.986 5.894
127 HD1 PHE 22 HD2 PHE 22 -2.675 0.331 4.423
128 HD2 PHE 22 HD1 PHE 22 -4.188 2.607 7.687
129 HE1 PHE 22 HE2 PHE 22 -0.376 0.749 5.193
130 HE2 PHE 22 HE1 PHE 22 -1.891 3.029 8.461
131 HZ PHE 22 HZ PHE 22 0.019 2.098 7.215
132 H THR 23 H THR 23 -7.675 0.399 7.291
133 HA THR 23 HA THR 23 -9.552 -1.021 5.701
134 HB THR 23 HB THR 23 -10.191 1.221 7.620
135 HG1 THR 23 HG1 THR 23 -8.815 -0.453 8.545
136 HG21 THR 23 3HG2 THR 23 -12.102 -0.715 7.886
137 HG22 THR 23 1HG2 THR 23 -11.736 -0.801 6.163
138 HG23 THR 23 2HG2 THR 23 -12.256 0.725 6.880
139 H HIS 24 H HIS 24 -8.740 2.424 5.994
140 HA HIS 24 HA HIS 24 -10.437 2.993 3.670
141 HB2 HIS 24 1HB HIS 24 -10.411 4.319 5.966
142 HB3 HIS 24 2HB HIS 24 -9.063 5.156 5.202
143 HD1 HIS 24 HD1 HIS 24 -9.600 6.765 3.294
144 HD2 HIS 24 HD2 HIS 24 -12.930 4.754 4.752
145 HE1 HIS 24 HE1 HIS 24 -11.585 7.928 2.279
146 H LYS 25 H LYS 25 -9.606 3.524 1.745
147 HA LYS 25 HA LYS 25 -6.987 3.020 1.039
148 HB2 LYS 25 1HB LYS 25 -8.894 3.232 -0.544
149 HB3 LYS 25 2HB LYS 25 -8.847 4.976 -0.324
150 HG2 LYS 25 1HG LYS 25 -6.897 5.214 -1.513
151 HG3 LYS 25 2HG LYS 25 -6.381 3.554 -1.205
152 HD2 LYS 25 1HD LYS 25 -6.995 3.467 -3.434
153 HD3 LYS 25 2HD LYS 25 -8.467 2.922 -2.625
154 HE2 LYS 25 1HE LYS 25 -9.564 4.938 -2.997
155 HE3 LYS 25 2HE LYS 25 -8.060 5.821 -3.255
156 HZ1 LYS 25 3HZ LYS 25 -9.718 4.603 -5.165
157 HZ2 LYS 25 1HZ LYS 25 -8.216 3.825 -5.196
158 HZ3 LYS 25 2HZ LYS 25 -8.306 5.500 -5.417
159 H THR 26 H THR 26 -8.473 6.141 1.843
160 HA THR 26 HA THR 26 -6.292 7.792 1.339
161 HB THR 26 HB THR 26 -8.322 8.153 3.552
162 HG1 THR 26 HG1 THR 26 -8.394 8.765 0.776
163 HG21 THR 26 3HG2 THR 26 -7.848 10.517 3.332
164 HG22 THR 26 1HG2 THR 26 -6.711 10.200 2.023
165 HG23 THR 26 2HG2 THR 26 -6.349 9.649 3.658
166 H ASN 27 H ASN 27 -7.140 6.003 4.279
167 HA ASN 27 HA ASN 27 -5.184 6.997 5.982
168 HB2 ASN 27 1HB ASN 27 -6.546 4.314 5.820
169 HB3 ASN 27 2HB ASN 27 -5.360 4.671 7.072
170 HD21 ASN 27 1HD2 ASN 27 -8.163 4.063 7.369
171 HD22 ASN 27 2HD2 ASN 27 -8.882 5.419 8.162
172 H LEU 28 H LEU 28 -4.997 4.380 3.613
173 HA LEU 28 HA LEU 28 -2.405 3.494 4.279
174 HB2 LEU 28 1HB LEU 28 -3.614 2.006 2.985
175 HB3 LEU 28 2HB LEU 28 -4.159 3.260 1.873
176 HG LEU 28 HG LEU 28 -1.803 3.369 1.001
177 HD11 LEU 28 1HD1 LEU 28 -1.513 1.207 3.010
178 HD12 LEU 28 2HD1 LEU 28 -0.362 2.439 2.493
179 HD13 LEU 28 3HD1 LEU 28 -0.657 1.027 1.478
180 HD21 LEU 28 3HD2 LEU 28 -3.122 2.263 -0.484
181 HD22 LEU 28 1HD2 LEU 28 -3.668 1.083 0.707
182 HD23 LEU 28 2HD2 LEU 28 -2.068 0.928 -0.018
183 H ILE 29 H ILE 29 -3.480 5.591 1.600
184 HA ILE 29 HA ILE 29 -1.064 6.245 0.498
185 HB ILE 29 HB ILE 29 -3.385 8.132 0.924
186 HG12 ILE 29 1HG1 ILE 29 -2.770 6.603 -1.590
187 HG13 ILE 29 2HG1 ILE 29 -3.715 5.867 -0.300
188 HG21 ILE 29 1HG2 ILE 29 -2.415 9.636 -0.460
189 HG22 ILE 29 2HG2 ILE 29 -0.939 8.894 0.154
190 HG23 ILE 29 3HG2 ILE 29 -1.591 8.399 -1.408
191 HD11 ILE 29 3HD1 ILE 29 -4.919 8.317 -0.663
192 HD12 ILE 29 1HD1 ILE 29 -4.492 7.811 -2.298
193 HD13 ILE 29 2HD1 ILE 29 -5.487 6.767 -1.282
194 H ILE 30 H ILE 30 -2.635 7.866 3.246
195 HA ILE 30 HA ILE 30 -0.672 9.815 3.680
196 HB ILE 30 HB ILE 30 -2.480 8.516 5.721
197 HG12 ILE 30 1HG1 ILE 30 -2.893 11.139 4.290
198 HG13 ILE 30 2HG1 ILE 30 -3.546 9.622 3.682
199 HG21 ILE 30 1HG2 ILE 30 -2.130 10.540 7.037
200 HG22 ILE 30 2HG2 ILE 30 -0.608 9.700 6.747
201 HG23 ILE 30 3HG2 ILE 30 -1.008 11.146 5.819
202 HD11 ILE 30 3HD1 ILE 30 -4.179 10.913 6.324
203 HD12 ILE 30 1HD1 ILE 30 -5.232 10.817 4.913
204 HD13 ILE 30 2HD1 ILE 30 -4.790 9.349 5.784
205 H HIS 31 H HIS 31 -0.857 6.459 4.646
206 HA HIS 31 HA HIS 31 1.274 6.581 6.546
207 HB2 HIS 31 1HB HIS 31 -0.054 4.750 6.964
208 HB3 HIS 31 2HB HIS 31 -0.323 4.420 5.255
209 HD1 HIS 31 HD1 HIS 31 2.003 3.687 8.072
210 HD2 HIS 31 HD2 HIS 31 1.634 2.812 4.027
211 HE1 HIS 31 HE1 HIS 31 3.644 1.832 7.633
212 H GLN 32 H GLN 32 1.076 5.087 3.310
213 HA GLN 32 HA GLN 32 3.575 4.255 2.859
214 HB2 GLN 32 1HB GLN 32 1.760 5.799 1.022
215 HB3 GLN 32 2HB GLN 32 3.310 5.178 0.470
216 HG2 GLN 32 1HG GLN 32 2.625 2.917 0.982
217 HG3 GLN 32 2HG GLN 32 1.098 3.506 1.638
218 HE21 GLN 32 1HE2 GLN 32 1.503 1.630 -0.507
219 HE22 GLN 32 2HE2 GLN 32 0.765 2.311 -1.912
220 H LYS 33 H LYS 33 2.613 7.589 3.186
221 HA LYS 33 HA LYS 33 4.693 8.981 2.082
222 HB2 LYS 33 1HB LYS 33 3.357 9.535 4.738
223 HB3 LYS 33 2HB LYS 33 4.310 10.695 3.822
224 HG2 LYS 33 1HG LYS 33 2.576 10.106 1.927
225 HG3 LYS 33 2HG LYS 33 1.576 9.656 3.310
226 HD2 LYS 33 1HD LYS 33 1.527 11.817 4.141
227 HD3 LYS 33 2HD LYS 33 3.002 12.285 3.290
228 HE2 LYS 33 1HE LYS 33 0.501 11.566 1.799
229 HE3 LYS 33 2HE LYS 33 0.749 13.192 2.435
230 HZ1 LYS 33 3HZ LYS 33 1.957 11.910 0.160
231 HZ2 LYS 33 1HZ LYS 33 3.077 12.684 1.165
232 HZ3 LYS 33 2HZ LYS 33 1.784 13.556 0.509
233 H ILE 34 H ILE 34 4.617 7.530 5.328
234 HA ILE 34 HA ILE 34 7.025 8.328 6.335
235 HB ILE 34 HB ILE 34 7.076 6.341 7.685
236 HG12 ILE 34 1HG1 ILE 34 4.859 5.106 6.080
237 HG13 ILE 34 2HG1 ILE 34 6.537 4.867 5.602
238 HG21 ILE 34 1HG2 ILE 34 5.424 7.399 8.748
239 HG22 ILE 34 2HG2 ILE 34 4.626 7.836 7.238
240 HG23 ILE 34 3HG2 ILE 34 4.335 6.255 7.963
241 HD11 ILE 34 3HD1 ILE 34 6.972 3.490 7.332
242 HD12 ILE 34 1HD1 ILE 34 5.889 4.343 8.431
243 HD13 ILE 34 2HD1 ILE 34 5.231 3.220 7.240
244 H HIS 35 H HIS 35 6.459 6.114 3.723
245 HA HIS 35 HA HIS 35 9.117 5.013 3.723
246 HB2 HIS 35 1HB HIS 35 6.903 4.904 1.666
247 HB3 HIS 35 2HB HIS 35 8.424 4.024 1.538
248 HD1 HIS 35 HD1 HIS 35 8.735 2.794 4.251
249 HD2 HIS 35 HD2 HIS 35 5.066 3.034 2.316
250 HE1 HIS 35 HE1 HIS 35 7.314 0.991 5.279
251 H THR 36 H THR 36 7.393 7.551 1.996
252 HA THR 36 HA THR 36 9.645 8.104 0.263
253 HB THR 36 HB THR 36 7.146 8.395 -0.335
254 HG1 THR 36 HG1 THR 36 7.759 10.299 -1.627
255 HG21 THR 36 3HG2 THR 36 7.200 10.118 1.816
256 HG22 THR 36 1HG2 THR 36 5.950 10.057 0.575
257 HG23 THR 36 2HG2 THR 36 7.281 11.205 0.430
258 H GLY 37 H GLY 37 8.786 8.893 3.408
259 HA2 GLY 37 1HA GLY 37 9.772 10.300 4.938
260 HA3 GLY 37 2HA GLY 37 10.970 10.688 3.713
261 H GLU 38 H GLU 38 7.450 11.202 3.926
262 HA GLU 38 HA GLU 38 7.799 13.908 2.938
263 HB2 GLU 38 1HB GLU 38 5.942 12.255 2.246
264 HB3 GLU 38 2HB GLU 38 5.186 12.678 3.776
265 HG2 GLU 38 1HG GLU 38 4.235 14.004 2.018
266 HG3 GLU 38 2HG GLU 38 5.174 15.041 3.091
267 H ARG 39 H ARG 39 7.949 15.641 4.190
268 HA ARG 39 HA ARG 39 6.662 15.653 6.814
269 HB2 ARG 39 1HB ARG 39 8.734 16.657 7.816
270 HB3 ARG 39 2HB ARG 39 8.876 14.959 7.381
271 HG2 ARG 39 1HG ARG 39 9.786 17.118 5.517
272 HG3 ARG 39 2HG ARG 39 10.819 16.527 6.820
273 HD2 ARG 39 1HD ARG 39 10.167 14.181 5.819
274 HD3 ARG 39 2HD ARG 39 9.857 15.134 4.368
275 HE ARG 39 HE ARG 39 12.415 14.501 5.512
276 HH11 ARG 39 1HH1 ARG 39 10.651 16.735 3.508
277 HH12 ARG 39 2HH1 ARG 39 12.055 17.276 2.649
278 HH21 ARG 39 1HH2 ARG 39 14.271 15.204 4.388
279 HH22 ARG 39 2HH2 ARG 39 14.114 16.403 3.150
280 HA PRO 40 HA PRO 40 5.537 19.733 5.611
281 HB2 PRO 40 1HB PRO 40 5.012 20.785 8.059
282 HB3 PRO 40 2HB PRO 40 3.945 19.621 7.264
283 HG2 PRO 40 1HG PRO 40 5.998 19.161 9.393
284 HG3 PRO 40 2HG PRO 40 4.360 18.496 9.256
285 HD2 PRO 40 1HD PRO 40 6.567 17.087 8.567
286 HD3 PRO 40 2HD PRO 40 5.007 16.880 7.745
287 H SER 41 H SER 41 7.320 20.764 4.797
288 HA SER 41 HA SER 41 9.339 21.781 6.650
289 HB2 SER 41 1HB SER 41 10.602 22.364 4.598
290 HB3 SER 41 2HB SER 41 10.167 20.656 4.648
291 HG SER 41 HG SER 41 9.641 21.346 2.631
292 H GLY 42 H GLY 42 8.820 23.653 7.585
293 HA2 GLY 42 1HA GLY 42 8.535 25.958 7.663
294 HA3 GLY 42 2HA GLY 42 8.304 25.959 5.921
295 HA PRO 43 HA PRO 43 4.208 26.892 7.814
296 HB2 PRO 43 1HB PRO 43 3.538 28.765 5.967
297 HB3 PRO 43 2HB PRO 43 4.498 29.134 7.404
298 HG2 PRO 43 1HG PRO 43 5.406 28.637 4.595
299 HG3 PRO 43 2HG PRO 43 5.951 29.872 5.745
300 HD2 PRO 43 1HD PRO 43 7.348 27.600 5.276
301 HD3 PRO 43 2HD PRO 43 7.335 28.404 6.859
302 H SER 44 H SER 44 2.036 26.835 6.754
303 HA SER 44 HA SER 44 2.046 24.810 4.633
304 HB2 SER 44 1HB SER 44 0.844 24.262 6.726
305 HB3 SER 44 2HB SER 44 -0.206 25.655 6.473
306 HG SER 44 HG SER 44 -1.376 24.252 5.425
307 H SER 45 H SER 45 1.972 25.701 2.670
308 HA SER 45 HA SER 45 0.754 28.224 2.133
309 HB2 SER 45 1HB SER 45 1.259 27.701 -0.237
310 HB3 SER 45 2HB SER 45 2.656 27.455 0.810
311 HG SER 45 HG SER 45 1.406 25.688 -0.777
312 H GLY 46 H GLY 46 -1.350 28.590 1.963
313 HA2 GLY 46 1HA GLY 46 -3.201 26.399 1.550
314 HA3 GLY 46 2HA GLY 46 -3.619 28.072 1.890
Start of MODEL 14
1 H1 GLY 1 H GLY 1 8.927 -30.249 -2.138
2 HA2 GLY 1 1HA GLY 1 6.654 -28.812 -2.198
3 HA3 GLY 1 2HA GLY 1 6.795 -30.269 -1.226
4 H SER 2 H SER 2 6.092 -29.987 0.771
5 HA SER 2 HA SER 2 5.589 -29.043 2.779
6 HB2 SER 2 1HB SER 2 8.156 -27.618 2.100
7 HB3 SER 2 2HB SER 2 7.299 -27.313 3.611
8 HG SER 2 HG SER 2 8.097 -29.891 2.739
9 H SER 3 H SER 3 4.150 -28.054 0.626
10 HA SER 3 HA SER 3 4.087 -25.167 0.783
11 HB2 SER 3 1HB SER 3 2.382 -27.171 -0.705
12 HB3 SER 3 2HB SER 3 2.118 -25.429 -0.776
13 HG SER 3 HG SER 3 3.465 -25.672 -2.411
14 H GLY 4 H GLY 4 2.156 -23.969 1.360
15 HA2 GLY 4 1HA GLY 4 -0.173 -24.439 2.376
16 HA3 GLY 4 2HA GLY 4 0.771 -25.244 3.621
17 H SER 5 H SER 5 0.956 -24.055 5.386
18 HA SER 5 HA SER 5 0.758 -22.178 6.725
19 HB2 SER 5 1HB SER 5 2.771 -20.793 6.564
20 HB3 SER 5 2HB SER 5 3.179 -22.494 6.344
21 HG SER 5 HG SER 5 4.210 -21.269 4.767
22 H SER 6 H SER 6 -1.123 -21.965 4.704
23 HA SER 6 HA SER 6 -1.130 -19.060 4.258
24 HB2 SER 6 1HB SER 6 -0.551 -20.157 2.130
25 HB3 SER 6 2HB SER 6 -2.012 -21.139 2.239
26 HG SER 6 HG SER 6 -2.156 -18.326 2.320
27 H GLY 7 H GLY 7 -3.117 -18.050 4.431
28 HA2 GLY 7 1HA GLY 7 -5.498 -19.676 4.873
29 HA3 GLY 7 2HA GLY 7 -4.945 -18.716 6.237
30 H THR 8 H THR 8 -4.612 -16.347 5.748
31 HA THR 8 HA THR 8 -6.991 -15.168 4.977
32 HB THR 8 HB THR 8 -5.275 -14.012 6.318
33 HG1 THR 8 HG1 THR 8 -6.594 -12.494 5.573
34 HG21 THR 8 3HG2 THR 8 -3.278 -14.681 5.116
35 HG22 THR 8 1HG2 THR 8 -3.381 -12.922 5.157
36 HG23 THR 8 2HG2 THR 8 -3.808 -13.796 3.686
37 H GLY 9 H GLY 9 -7.478 -13.757 3.160
38 HA2 GLY 9 1HA GLY 9 -5.931 -14.170 0.725
39 HA3 GLY 9 2HA GLY 9 -7.564 -14.820 0.724
40 H GLU 10 H GLU 10 -9.219 -13.108 1.618
41 HA GLU 10 HA GLU 10 -9.099 -10.907 -0.216
42 HB2 GLU 10 1HB GLU 10 -11.169 -12.265 0.597
43 HB3 GLU 10 2HB GLU 10 -11.150 -11.154 1.959
44 HG2 GLU 10 1HG GLU 10 -11.162 -10.172 -0.871
45 HG3 GLU 10 2HG GLU 10 -12.649 -10.592 -0.024
46 H ASN 11 H ASN 11 -8.709 -8.789 0.179
47 HA ASN 11 HA ASN 11 -8.472 -7.831 2.915
48 HB2 ASN 11 1HB ASN 11 -6.158 -7.451 1.016
49 HB3 ASN 11 2HB ASN 11 -6.218 -7.089 2.739
50 HD21 ASN 11 1HD2 ASN 11 -5.339 -9.328 0.413
51 HD22 ASN 11 2HD2 ASN 11 -5.035 -10.675 1.451
52 HA PRO 12 HA PRO 12 -10.147 -4.181 1.124
53 HB2 PRO 12 1HB PRO 12 -9.360 -2.357 2.975
54 HB3 PRO 12 2HB PRO 12 -10.649 -3.530 3.270
55 HG2 PRO 12 1HG PRO 12 -7.777 -3.622 4.109
56 HG3 PRO 12 2HG PRO 12 -9.228 -4.036 5.040
57 HD2 PRO 12 1HD PRO 12 -7.656 -5.911 3.881
58 HD3 PRO 12 2HD PRO 12 -9.409 -6.119 4.069
59 H PHE 13 H PHE 13 -6.869 -3.673 2.450
60 HA PHE 13 HA PHE 13 -5.871 -2.789 -0.090
61 HB2 PHE 13 1HB PHE 13 -5.915 -0.746 2.134
62 HB3 PHE 13 2HB PHE 13 -5.358 -0.516 0.480
63 HD1 PHE 13 HD2 PHE 13 -6.953 -0.310 -1.352
64 HD2 PHE 13 HD1 PHE 13 -8.245 -0.693 2.685
65 HE1 PHE 13 HE2 PHE 13 -9.197 0.462 -2.001
66 HE2 PHE 13 HE1 PHE 13 -10.492 0.078 2.042
67 HZ PHE 13 HZ PHE 13 -10.970 0.658 -0.303
68 H ILE 14 H ILE 14 -3.618 -2.679 -0.158
69 HA ILE 14 HA ILE 14 -2.207 -3.359 2.331
70 HB ILE 14 HB ILE 14 -1.708 -4.669 -0.345
71 HG12 ILE 14 1HG1 ILE 14 -3.790 -5.415 0.828
72 HG13 ILE 14 2HG1 ILE 14 -2.592 -6.689 0.627
73 HG21 ILE 14 1HG2 ILE 14 0.361 -4.806 0.557
74 HG22 ILE 14 2HG2 ILE 14 -0.224 -4.595 2.207
75 HG23 ILE 14 3HG2 ILE 14 -0.356 -6.167 1.418
76 HD11 ILE 14 3HD1 ILE 14 -2.618 -5.128 3.157
77 HD12 ILE 14 1HD1 ILE 14 -3.849 -6.363 2.894
78 HD13 ILE 14 2HD1 ILE 14 -2.140 -6.800 2.864
79 H CYS 15 H CYS 15 -0.006 -2.740 2.417
80 HA CYS 15 HA CYS 15 0.593 -0.440 0.729
81 HB2 CYS 15 1HB CYS 15 0.783 -0.402 3.266
82 HB3 CYS 15 2HB CYS 15 2.197 -1.436 3.083
83 H SER 16 H SER 16 1.868 -0.602 -0.982
84 HA SER 16 HA SER 16 3.373 -3.016 -1.470
85 HB2 SER 16 1HB SER 16 2.094 -1.798 -3.258
86 HB3 SER 16 2HB SER 16 3.283 -0.500 -3.149
87 HG SER 16 HG SER 16 4.656 -1.676 -4.229
88 H GLU 17 H GLU 17 4.260 -1.468 0.772
89 HA GLU 17 HA GLU 17 7.005 -0.924 -0.115
90 HB2 GLU 17 1HB GLU 17 5.266 0.830 1.606
91 HB3 GLU 17 2HB GLU 17 7.020 0.918 1.678
92 HG2 GLU 17 1HG GLU 17 6.746 1.154 -0.944
93 HG3 GLU 17 2HG GLU 17 5.162 1.765 -0.467
94 H CYS 18 H CYS 18 4.859 -1.513 2.648
95 HA CYS 18 HA CYS 18 7.063 -2.992 3.930
96 HB2 CYS 18 1HB CYS 18 6.120 -2.355 6.110
97 HB3 CYS 18 2HB CYS 18 6.577 -0.939 5.169
98 H GLY 19 H GLY 19 3.527 -2.708 3.675
99 HA2 GLY 19 1HA GLY 19 2.318 -4.744 3.010
100 HA3 GLY 19 2HA GLY 19 3.382 -5.630 4.093
101 H LYS 20 H LYS 20 1.664 -2.575 4.632
102 HA LYS 20 HA LYS 20 0.460 -3.769 7.024
103 HB2 LYS 20 1HB LYS 20 1.826 -1.510 6.913
104 HB3 LYS 20 2HB LYS 20 0.277 -0.851 6.403
105 HG2 LYS 20 1HG LYS 20 -0.700 -1.195 8.440
106 HG3 LYS 20 2HG LYS 20 0.360 -2.547 8.844
107 HD2 LYS 20 1HD LYS 20 1.360 0.283 8.632
108 HD3 LYS 20 2HD LYS 20 0.718 -0.385 10.134
109 HE2 LYS 20 1HE LYS 20 2.866 -1.832 8.636
110 HE3 LYS 20 2HE LYS 20 3.276 -0.467 9.674
111 HZ1 LYS 20 3HZ LYS 20 3.053 -1.730 11.467
112 HZ2 LYS 20 1HZ LYS 20 2.908 -3.076 10.453
113 HZ3 LYS 20 2HZ LYS 20 1.522 -2.272 10.995
114 H VAL 21 H VAL 21 -1.744 -3.693 7.420
115 HA VAL 21 HA VAL 21 -3.401 -3.315 5.032
116 HB VAL 21 HB VAL 21 -4.088 -4.682 7.638
117 HG11 VAL 21 1HG1 VAL 21 -6.109 -5.357 6.664
118 HG12 VAL 21 2HG1 VAL 21 -5.959 -3.653 6.228
119 HG13 VAL 21 3HG1 VAL 21 -5.582 -4.904 5.043
120 HG21 VAL 21 3HG2 VAL 21 -4.013 -6.736 6.101
121 HG22 VAL 21 1HG2 VAL 21 -3.079 -5.715 5.008
122 HG23 VAL 21 2HG2 VAL 21 -2.478 -6.048 6.632
123 H PHE 22 H PHE 22 -4.790 -1.679 4.856
124 HA PHE 22 HA PHE 22 -5.480 -0.167 7.288
125 HB2 PHE 22 1HB PHE 22 -5.003 0.949 4.516
126 HB3 PHE 22 2HB PHE 22 -5.491 1.881 5.928
127 HD1 PHE 22 HD2 PHE 22 -2.747 0.032 4.348
128 HD2 PHE 22 HD1 PHE 22 -3.919 2.471 7.633
129 HE1 PHE 22 HE2 PHE 22 -0.382 0.373 4.934
130 HE2 PHE 22 HE1 PHE 22 -1.556 2.817 8.224
131 HZ PHE 22 HZ PHE 22 0.216 1.766 6.874
132 H THR 23 H THR 23 -7.574 0.555 7.499
133 HA THR 23 HA THR 23 -9.577 -0.923 6.121
134 HB THR 23 HB THR 23 -10.023 1.503 7.864
135 HG1 THR 23 HG1 THR 23 -8.710 -0.178 8.869
136 HG21 THR 23 3HG2 THR 23 -12.106 1.033 7.057
137 HG22 THR 23 1HG2 THR 23 -12.073 -0.109 8.400
138 HG23 THR 23 2HG2 THR 23 -11.730 -0.664 6.761
139 H HIS 24 H HIS 24 -8.563 2.475 6.048
140 HA HIS 24 HA HIS 24 -10.337 2.921 3.750
141 HB2 HIS 24 1HB HIS 24 -10.176 4.441 5.918
142 HB3 HIS 24 2HB HIS 24 -8.823 5.148 5.039
143 HD1 HIS 24 HD1 HIS 24 -9.362 6.652 3.064
144 HD2 HIS 24 HD2 HIS 24 -12.717 4.828 4.699
145 HE1 HIS 24 HE1 HIS 24 -11.334 7.794 1.999
146 H LYS 25 H LYS 25 -9.568 3.581 1.784
147 HA LYS 25 HA LYS 25 -6.974 2.803 1.037
148 HB2 LYS 25 1HB LYS 25 -9.018 2.998 -0.452
149 HB3 LYS 25 2HB LYS 25 -8.727 4.733 -0.484
150 HG2 LYS 25 1HG LYS 25 -6.749 4.505 -1.687
151 HG3 LYS 25 2HG LYS 25 -6.585 2.796 -1.274
152 HD2 LYS 25 1HD LYS 25 -8.476 2.241 -2.682
153 HD3 LYS 25 2HD LYS 25 -8.752 3.949 -3.031
154 HE2 LYS 25 1HE LYS 25 -7.569 3.362 -4.893
155 HE3 LYS 25 2HE LYS 25 -6.240 3.829 -3.833
156 HZ1 LYS 25 3HZ LYS 25 -5.878 1.697 -4.990
157 HZ2 LYS 25 1HZ LYS 25 -7.206 1.042 -4.172
158 HZ3 LYS 25 2HZ LYS 25 -5.843 1.543 -3.306
159 H THR 26 H THR 26 -8.362 5.991 1.704
160 HA THR 26 HA THR 26 -6.157 7.548 0.968
161 HB THR 26 HB THR 26 -8.118 8.161 3.186
162 HG1 THR 26 HG1 THR 26 -8.415 8.013 0.459
163 HG21 THR 26 3HG2 THR 26 -6.420 9.952 1.445
164 HG22 THR 26 1HG2 THR 26 -6.195 9.653 3.168
165 HG23 THR 26 2HG2 THR 26 -7.631 10.506 2.601
166 H ASN 27 H ASN 27 -6.968 5.997 4.044
167 HA ASN 27 HA ASN 27 -4.966 7.099 5.632
168 HB2 ASN 27 1HB ASN 27 -6.317 4.401 5.724
169 HB3 ASN 27 2HB ASN 27 -5.177 4.936 6.956
170 HD21 ASN 27 1HD2 ASN 27 -6.634 4.994 8.610
171 HD22 ASN 27 2HD2 ASN 27 -7.930 6.134 8.695
172 H LEU 28 H LEU 28 -4.884 4.248 3.533
173 HA LEU 28 HA LEU 28 -2.282 3.406 4.207
174 HB2 LEU 28 1HB LEU 28 -3.520 1.797 3.114
175 HB3 LEU 28 2HB LEU 28 -4.129 2.934 1.913
176 HG LEU 28 HG LEU 28 -1.808 2.963 0.929
177 HD11 LEU 28 1HD1 LEU 28 -1.299 1.356 3.244
178 HD12 LEU 28 2HD1 LEU 28 -0.163 2.000 2.059
179 HD13 LEU 28 3HD1 LEU 28 -0.933 0.437 1.784
180 HD21 LEU 28 3HD2 LEU 28 -3.208 0.292 0.966
181 HD22 LEU 28 1HD2 LEU 28 -2.127 0.901 -0.287
182 HD23 LEU 28 2HD2 LEU 28 -3.689 1.675 -0.018
183 H ILE 29 H ILE 29 -3.495 5.606 1.722
184 HA ILE 29 HA ILE 29 -1.075 5.998 0.351
185 HB ILE 29 HB ILE 29 -3.386 7.914 0.686
186 HG12 ILE 29 1HG1 ILE 29 -2.872 6.339 -1.796
187 HG13 ILE 29 2HG1 ILE 29 -3.589 5.507 -0.421
188 HG21 ILE 29 1HG2 ILE 29 -2.493 8.856 -1.480
189 HG22 ILE 29 2HG2 ILE 29 -1.528 9.184 -0.041
190 HG23 ILE 29 3HG2 ILE 29 -1.023 7.931 -1.175
191 HD11 ILE 29 3HD1 ILE 29 -5.576 6.409 -0.808
192 HD12 ILE 29 1HD1 ILE 29 -4.897 8.030 -0.960
193 HD13 ILE 29 2HD1 ILE 29 -4.923 6.950 -2.354
194 H ILE 30 H ILE 30 -2.502 7.687 3.114
195 HA ILE 30 HA ILE 30 -0.505 9.691 3.300
196 HB ILE 30 HB ILE 30 -2.343 8.634 5.451
197 HG12 ILE 30 1HG1 ILE 30 -2.631 11.070 3.681
198 HG13 ILE 30 2HG1 ILE 30 -3.480 9.549 3.429
199 HG21 ILE 30 1HG2 ILE 30 -0.990 11.316 5.383
200 HG22 ILE 30 2HG2 ILE 30 -1.832 10.546 6.727
201 HG23 ILE 30 3HG2 ILE 30 -0.278 9.915 6.184
202 HD11 ILE 30 3HD1 ILE 30 -4.009 10.225 6.069
203 HD12 ILE 30 1HD1 ILE 30 -4.115 11.743 5.178
204 HD13 ILE 30 2HD1 ILE 30 -5.102 10.365 4.692
205 H HIS 31 H HIS 31 -0.815 6.453 4.607
206 HA HIS 31 HA HIS 31 1.276 6.626 6.507
207 HB2 HIS 31 1HB HIS 31 -0.049 4.795 6.923
208 HB3 HIS 31 2HB HIS 31 -0.255 4.420 5.215
209 HD1 HIS 31 HD1 HIS 31 1.978 3.776 8.128
210 HD2 HIS 31 HD2 HIS 31 1.746 2.789 4.099
211 HE1 HIS 31 HE1 HIS 31 3.640 1.919 7.795
212 H GLN 32 H GLN 32 1.231 5.018 3.319
213 HA GLN 32 HA GLN 32 3.744 4.194 2.990
214 HB2 GLN 32 1HB GLN 32 2.186 5.814 0.969
215 HB3 GLN 32 2HB GLN 32 3.608 4.850 0.591
216 HG2 GLN 32 1HG GLN 32 2.500 2.869 0.808
217 HG3 GLN 32 2HG GLN 32 1.333 3.520 1.958
218 HE21 GLN 32 1HE2 GLN 32 0.227 2.032 0.155
219 HE22 GLN 32 2HE2 GLN 32 -0.553 2.943 -1.088
220 H LYS 33 H LYS 33 2.765 7.543 3.154
221 HA LYS 33 HA LYS 33 4.930 8.881 2.136
222 HB2 LYS 33 1HB LYS 33 3.349 9.545 4.626
223 HB3 LYS 33 2HB LYS 33 4.430 10.663 3.804
224 HG2 LYS 33 1HG LYS 33 2.898 10.027 1.735
225 HG3 LYS 33 2HG LYS 33 1.739 9.699 3.026
226 HD2 LYS 33 1HD LYS 33 2.330 12.006 3.925
227 HD3 LYS 33 2HD LYS 33 3.132 12.285 2.378
228 HE2 LYS 33 1HE LYS 33 0.326 11.281 2.393
229 HE3 LYS 33 2HE LYS 33 0.624 12.981 2.753
230 HZ1 LYS 33 3HZ LYS 33 2.141 12.413 0.526
231 HZ2 LYS 33 1HZ LYS 33 0.706 13.308 0.576
232 HZ3 LYS 33 2HZ LYS 33 0.657 11.650 0.247
233 H ILE 34 H ILE 34 4.590 7.605 5.439
234 HA ILE 34 HA ILE 34 6.904 8.441 6.602
235 HB ILE 34 HB ILE 34 6.854 6.511 8.027
236 HG12 ILE 34 1HG1 ILE 34 4.786 5.176 6.315
237 HG13 ILE 34 2HG1 ILE 34 6.493 4.964 5.943
238 HG21 ILE 34 1HG2 ILE 34 5.113 7.622 8.882
239 HG22 ILE 34 2HG2 ILE 34 4.411 7.924 7.294
240 HG23 ILE 34 3HG2 ILE 34 4.117 6.389 8.110
241 HD11 ILE 34 3HD1 ILE 34 4.903 3.952 8.222
242 HD12 ILE 34 1HD1 ILE 34 6.185 3.175 7.294
243 HD13 ILE 34 2HD1 ILE 34 6.588 4.374 8.523
244 H HIS 35 H HIS 35 6.575 6.152 4.021
245 HA HIS 35 HA HIS 35 9.203 5.029 4.283
246 HB2 HIS 35 1HB HIS 35 7.256 4.959 1.969
247 HB3 HIS 35 2HB HIS 35 8.730 4.001 2.084
248 HD1 HIS 35 HD1 HIS 35 8.502 2.978 4.957
249 HD2 HIS 35 HD2 HIS 35 5.329 3.071 2.277
250 HE1 HIS 35 HE1 HIS 35 6.874 1.249 5.784
251 H THR 36 H THR 36 7.708 7.575 2.361
252 HA THR 36 HA THR 36 10.360 8.251 1.271
253 HB THR 36 HB THR 36 8.810 7.803 -0.513
254 HG1 THR 36 HG1 THR 36 10.046 9.499 -1.115
255 HG21 THR 36 3HG2 THR 36 6.748 8.203 0.855
256 HG22 THR 36 1HG2 THR 36 6.693 8.895 -0.766
257 HG23 THR 36 2HG2 THR 36 7.002 9.933 0.626
258 H GLY 37 H GLY 37 11.318 9.877 2.297
259 HA2 GLY 37 1HA GLY 37 11.449 12.208 2.788
260 HA3 GLY 37 2HA GLY 37 9.706 12.227 3.009
261 H GLU 38 H GLU 38 12.383 10.318 4.396
262 HA GLU 38 HA GLU 38 11.335 11.008 7.063
263 HB2 GLU 38 1HB GLU 38 11.025 8.654 6.646
264 HB3 GLU 38 2HB GLU 38 12.692 8.482 6.116
265 HG2 GLU 38 1HG GLU 38 13.328 9.242 8.472
266 HG3 GLU 38 2HG GLU 38 11.646 8.918 8.888
267 H ARG 39 H ARG 39 12.771 11.589 8.669
268 HA ARG 39 HA ARG 39 14.575 12.811 9.396
269 HB2 ARG 39 1HB ARG 39 15.184 10.390 9.721
270 HB3 ARG 39 2HB ARG 39 16.091 10.480 8.217
271 HG2 ARG 39 1HG ARG 39 17.707 10.792 9.848
272 HG3 ARG 39 2HG ARG 39 17.335 12.436 9.323
273 HD2 ARG 39 1HD ARG 39 17.449 12.397 11.722
274 HD3 ARG 39 2HD ARG 39 15.771 12.636 11.238
275 HE ARG 39 HE ARG 39 15.244 10.564 12.109
276 HH11 ARG 39 1HH1 ARG 39 18.695 11.016 12.079
277 HH12 ARG 39 2HH1 ARG 39 19.016 9.636 13.076
278 HH21 ARG 39 1HH2 ARG 39 15.653 8.744 13.422
279 HH22 ARG 39 2HH2 ARG 39 17.285 8.344 13.839
280 HA PRO 40 HA PRO 40 15.694 14.214 5.023
281 HB2 PRO 40 1HB PRO 40 14.337 16.564 5.085
282 HB3 PRO 40 2HB PRO 40 13.615 15.052 4.521
283 HG2 PRO 40 1HG PRO 40 13.367 16.392 7.187
284 HG3 PRO 40 2HG PRO 40 12.111 15.618 6.203
285 HD2 PRO 40 1HD PRO 40 13.266 14.389 8.321
286 HD3 PRO 40 2HD PRO 40 12.700 13.499 6.893
287 H SER 41 H SER 41 16.603 16.501 4.508
288 HA SER 41 HA SER 41 18.150 17.412 6.846
289 HB2 SER 41 1HB SER 41 18.937 16.966 3.989
290 HB3 SER 41 2HB SER 41 19.788 18.181 4.942
291 HG SER 41 HG SER 41 20.440 16.608 6.355
292 H GLY 42 H GLY 42 17.544 19.356 7.515
293 HA2 GLY 42 1HA GLY 42 16.667 21.315 5.481
294 HA3 GLY 42 2HA GLY 42 15.951 21.209 7.083
295 HA PRO 43 HA PRO 43 19.326 24.448 7.039
296 HB2 PRO 43 1HB PRO 43 17.766 26.477 7.944
297 HB3 PRO 43 2HB PRO 43 17.940 26.092 6.228
298 HG2 PRO 43 1HG PRO 43 15.741 25.355 8.121
299 HG3 PRO 43 2HG PRO 43 15.631 25.930 6.447
300 HD2 PRO 43 1HD PRO 43 15.387 23.316 7.107
301 HD3 PRO 43 2HD PRO 43 16.093 23.850 5.568
302 H SER 44 H SER 44 17.601 22.662 9.165
303 HA SER 44 HA SER 44 17.830 24.020 11.610
304 HB2 SER 44 1HB SER 44 17.822 21.051 11.024
305 HB3 SER 44 2HB SER 44 17.663 21.748 12.636
306 HG SER 44 HG SER 44 15.832 21.619 10.566
307 H SER 45 H SER 45 19.324 23.695 13.346
308 HA SER 45 HA SER 45 22.059 23.593 12.424
309 HB2 SER 45 1HB SER 45 22.633 24.265 14.711
310 HB3 SER 45 2HB SER 45 21.349 25.288 14.069
311 HG SER 45 HG SER 45 19.888 23.766 15.187
312 H GLY 46 H GLY 46 20.059 21.783 14.746
313 HA2 GLY 46 1HA GLY 46 21.770 19.999 15.817
314 HA3 GLY 46 2HA GLY 46 20.161 19.531 15.285
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -5.156 -27.845 -16.625
2 HA2 GLY 1 1HA GLY 1 -7.523 -26.715 -15.278
3 HA3 GLY 1 2HA GLY 1 -6.026 -27.162 -14.473
4 H SER 2 H SER 2 -5.105 -25.386 -13.700
5 HA SER 2 HA SER 2 -4.606 -23.143 -13.476
6 HB2 SER 2 1HB SER 2 -2.925 -22.452 -15.088
7 HB3 SER 2 2HB SER 2 -2.709 -24.165 -14.727
8 HG SER 2 HG SER 2 -2.627 -23.619 -16.999
9 H SER 3 H SER 3 -7.245 -23.367 -14.302
10 HA SER 3 HA SER 3 -7.547 -20.862 -15.751
11 HB2 SER 3 1HB SER 3 -7.631 -22.832 -17.400
12 HB3 SER 3 2HB SER 3 -9.166 -23.247 -16.637
13 HG SER 3 HG SER 3 -8.586 -21.264 -18.415
14 H GLY 4 H GLY 4 -8.799 -19.659 -14.495
15 HA2 GLY 4 1HA GLY 4 -11.417 -20.217 -13.803
16 HA3 GLY 4 2HA GLY 4 -10.443 -20.755 -12.443
17 H SER 5 H SER 5 -12.090 -18.942 -11.687
18 HA SER 5 HA SER 5 -10.679 -16.359 -11.819
19 HB2 SER 5 1HB SER 5 -13.585 -16.847 -11.128
20 HB3 SER 5 2HB SER 5 -12.801 -15.279 -11.319
21 HG SER 5 HG SER 5 -13.425 -15.476 -13.317
22 H SER 6 H SER 6 -9.238 -17.058 -10.140
23 HA SER 6 HA SER 6 -10.045 -16.242 -7.561
24 HB2 SER 6 1HB SER 6 -9.683 -18.465 -6.413
25 HB3 SER 6 2HB SER 6 -11.167 -18.350 -7.358
26 HG SER 6 HG SER 6 -8.906 -19.301 -8.668
27 H GLY 7 H GLY 7 -8.282 -16.664 -5.913
28 HA2 GLY 7 1HA GLY 7 -5.753 -17.604 -6.477
29 HA3 GLY 7 2HA GLY 7 -5.774 -15.953 -7.080
30 H THR 8 H THR 8 -6.825 -14.379 -5.394
31 HA THR 8 HA THR 8 -6.563 -14.942 -2.642
32 HB THR 8 HB THR 8 -4.174 -15.047 -3.090
33 HG1 THR 8 HG1 THR 8 -5.118 -12.752 -1.709
34 HG21 THR 8 3HG2 THR 8 -3.220 -13.775 -4.648
35 HG22 THR 8 1HG2 THR 8 -3.581 -12.333 -3.701
36 HG23 THR 8 2HG2 THR 8 -4.744 -12.922 -4.889
37 H GLY 9 H GLY 9 -7.451 -13.336 -1.422
38 HA2 GLY 9 1HA GLY 9 -7.475 -10.604 -2.027
39 HA3 GLY 9 2HA GLY 9 -8.929 -11.312 -2.714
40 H GLU 10 H GLU 10 -7.091 -11.442 0.342
41 HA GLU 10 HA GLU 10 -9.670 -11.315 1.763
42 HB2 GLU 10 1HB GLU 10 -8.515 -12.438 3.645
43 HB3 GLU 10 2HB GLU 10 -8.553 -13.418 2.186
44 HG2 GLU 10 1HG GLU 10 -6.239 -12.729 1.696
45 HG3 GLU 10 2HG GLU 10 -6.212 -11.830 3.212
46 H ASN 11 H ASN 11 -8.295 -9.008 0.815
47 HA ASN 11 HA ASN 11 -8.135 -7.533 3.273
48 HB2 ASN 11 1HB ASN 11 -5.827 -6.600 2.672
49 HB3 ASN 11 2HB ASN 11 -5.876 -8.220 3.360
50 HD21 ASN 11 1HD2 ASN 11 -3.755 -8.412 2.391
51 HD22 ASN 11 2HD2 ASN 11 -3.624 -8.859 0.727
52 HA PRO 12 HA PRO 12 -9.759 -4.489 0.528
53 HB2 PRO 12 1HB PRO 12 -9.476 -2.317 2.133
54 HB3 PRO 12 2HB PRO 12 -10.718 -3.548 2.393
55 HG2 PRO 12 1HG PRO 12 -8.069 -3.213 3.747
56 HG3 PRO 12 2HG PRO 12 -9.645 -3.612 4.455
57 HD2 PRO 12 1HD PRO 12 -7.754 -5.486 3.961
58 HD3 PRO 12 2HD PRO 12 -9.492 -5.833 3.859
59 H PHE 13 H PHE 13 -6.848 -3.447 2.318
60 HA PHE 13 HA PHE 13 -5.572 -2.721 -0.194
61 HB2 PHE 13 1HB PHE 13 -6.124 -0.740 2.019
62 HB3 PHE 13 2HB PHE 13 -4.932 -0.469 0.753
63 HD1 PHE 13 HD2 PHE 13 -5.630 -0.105 -1.555
64 HD2 PHE 13 HD1 PHE 13 -8.473 -0.593 1.574
65 HE1 PHE 13 HE2 PHE 13 -7.388 0.807 -3.015
66 HE2 PHE 13 HE1 PHE 13 -10.236 0.317 0.119
67 HZ PHE 13 HZ PHE 13 -9.694 1.020 -2.179
68 H ILE 14 H ILE 14 -3.335 -2.712 -0.106
69 HA ILE 14 HA ILE 14 -2.097 -3.312 2.489
70 HB ILE 14 HB ILE 14 -1.687 -4.869 -0.063
71 HG12 ILE 14 1HG1 ILE 14 -3.621 -5.554 1.290
72 HG13 ILE 14 2HG1 ILE 14 -2.365 -6.787 1.309
73 HG21 ILE 14 1HG2 ILE 14 -0.172 -6.126 1.821
74 HG22 ILE 14 2HG2 ILE 14 0.448 -5.016 0.599
75 HG23 ILE 14 3HG2 ILE 14 0.088 -4.428 2.222
76 HD11 ILE 14 3HD1 ILE 14 -1.635 -5.965 3.509
77 HD12 ILE 14 1HD1 ILE 14 -2.962 -4.804 3.490
78 HD13 ILE 14 2HD1 ILE 14 -3.304 -6.535 3.507
79 H CYS 15 H CYS 15 0.011 -2.608 2.745
80 HA CYS 15 HA CYS 15 0.824 -0.494 0.948
81 HB2 CYS 15 1HB CYS 15 0.939 -0.437 3.514
82 HB3 CYS 15 2HB CYS 15 2.364 -1.459 3.351
83 H SER 16 H SER 16 2.182 -0.734 -0.690
84 HA SER 16 HA SER 16 3.594 -3.235 -1.048
85 HB2 SER 16 1HB SER 16 3.213 -0.791 -2.773
86 HB3 SER 16 2HB SER 16 4.311 -2.093 -3.231
87 HG SER 16 HG SER 16 2.086 -2.235 -4.043
88 H GLU 17 H GLU 17 4.409 -1.384 1.100
89 HA GLU 17 HA GLU 17 7.208 -1.007 0.264
90 HB2 GLU 17 1HB GLU 17 5.522 0.780 2.019
91 HB3 GLU 17 2HB GLU 17 7.273 0.901 1.916
92 HG2 GLU 17 1HG GLU 17 5.603 1.044 -0.556
93 HG3 GLU 17 2HG GLU 17 5.802 2.458 0.477
94 H CYS 18 H CYS 18 5.024 -1.490 3.022
95 HA CYS 18 HA CYS 18 7.215 -2.898 4.401
96 HB2 CYS 18 1HB CYS 18 5.988 -2.338 6.516
97 HB3 CYS 18 2HB CYS 18 6.631 -0.940 5.661
98 H GLY 19 H GLY 19 3.679 -2.812 3.998
99 HA2 GLY 19 1HA GLY 19 2.668 -4.955 3.257
100 HA3 GLY 19 2HA GLY 19 3.674 -5.731 4.472
101 H LYS 20 H LYS 20 1.778 -2.751 4.746
102 HA LYS 20 HA LYS 20 0.306 -4.007 6.963
103 HB2 LYS 20 1HB LYS 20 1.697 -2.011 7.509
104 HB3 LYS 20 2HB LYS 20 0.706 -1.061 6.410
105 HG2 LYS 20 1HG LYS 20 -1.172 -1.206 7.789
106 HG3 LYS 20 2HG LYS 20 -0.505 -2.559 8.706
107 HD2 LYS 20 1HD LYS 20 0.804 0.145 8.695
108 HD3 LYS 20 2HD LYS 20 -0.501 -0.251 9.816
109 HE2 LYS 20 1HE LYS 20 0.768 -1.823 10.940
110 HE3 LYS 20 2HE LYS 20 1.853 -2.075 9.573
111 HZ1 LYS 20 3HZ LYS 20 2.712 -0.769 11.579
112 HZ2 LYS 20 1HZ LYS 20 1.778 0.513 10.989
113 HZ3 LYS 20 2HZ LYS 20 3.015 -0.140 10.038
114 H VAL 21 H VAL 21 -1.943 -3.619 7.178
115 HA VAL 21 HA VAL 21 -3.262 -2.969 4.626
116 HB VAL 21 HB VAL 21 -3.578 -5.297 5.430
117 HG11 VAL 21 1HG1 VAL 21 -5.286 -4.188 7.630
118 HG12 VAL 21 2HG1 VAL 21 -4.674 -5.829 7.419
119 HG13 VAL 21 3HG1 VAL 21 -3.575 -4.530 7.883
120 HG21 VAL 21 3HG2 VAL 21 -5.394 -5.037 4.163
121 HG22 VAL 21 1HG2 VAL 21 -6.286 -4.753 5.658
122 HG23 VAL 21 2HG2 VAL 21 -5.648 -3.390 4.738
123 H PHE 22 H PHE 22 -4.953 -1.542 4.574
124 HA PHE 22 HA PHE 22 -5.709 -0.253 7.107
125 HB2 PHE 22 1HB PHE 22 -5.082 1.164 4.508
126 HB3 PHE 22 2HB PHE 22 -5.707 1.935 5.962
127 HD1 PHE 22 HD2 PHE 22 -2.833 -0.053 4.700
128 HD2 PHE 22 HD1 PHE 22 -4.248 2.759 7.565
129 HE1 PHE 22 HE2 PHE 22 -0.532 0.281 5.504
130 HE2 PHE 22 HE1 PHE 22 -1.949 3.099 8.372
131 HZ PHE 22 HZ PHE 22 -0.088 1.858 7.342
132 H THR 23 H THR 23 -7.825 0.412 7.281
133 HA THR 23 HA THR 23 -9.726 -0.935 5.653
134 HB THR 23 HB THR 23 -10.284 1.295 7.615
135 HG1 THR 23 HG1 THR 23 -9.060 -0.834 8.235
136 HG21 THR 23 3HG2 THR 23 -12.366 -0.357 7.839
137 HG22 THR 23 1HG2 THR 23 -11.931 -0.707 6.167
138 HG23 THR 23 2HG2 THR 23 -12.321 0.944 6.649
139 H HIS 24 H HIS 24 -8.815 2.481 6.001
140 HA HIS 24 HA HIS 24 -10.511 3.169 3.720
141 HB2 HIS 24 1HB HIS 24 -10.253 4.493 6.003
142 HB3 HIS 24 2HB HIS 24 -8.879 5.208 5.165
143 HD1 HIS 24 HD1 HIS 24 -9.366 6.929 3.374
144 HD2 HIS 24 HD2 HIS 24 -12.788 5.066 4.816
145 HE1 HIS 24 HE1 HIS 24 -11.294 8.237 2.427
146 H LYS 25 H LYS 25 -9.735 3.977 1.808
147 HA LYS 25 HA LYS 25 -7.219 3.123 0.924
148 HB2 LYS 25 1HB LYS 25 -9.230 3.610 -0.508
149 HB3 LYS 25 2HB LYS 25 -8.882 5.322 -0.309
150 HG2 LYS 25 1HG LYS 25 -6.570 4.776 -1.253
151 HG3 LYS 25 2HG LYS 25 -7.284 3.242 -1.758
152 HD2 LYS 25 1HD LYS 25 -8.618 5.836 -2.439
153 HD3 LYS 25 2HD LYS 25 -7.268 5.243 -3.410
154 HE2 LYS 25 1HE LYS 25 -9.037 4.319 -4.538
155 HE3 LYS 25 2HE LYS 25 -8.660 3.018 -3.410
156 HZ1 LYS 25 3HZ LYS 25 -10.739 3.150 -2.699
157 HZ2 LYS 25 1HZ LYS 25 -11.051 4.500 -3.670
158 HZ3 LYS 25 2HZ LYS 25 -10.430 4.705 -2.110
159 H THR 26 H THR 26 -8.352 6.344 1.888
160 HA THR 26 HA THR 26 -5.979 7.737 1.334
161 HB THR 26 HB THR 26 -8.073 8.350 3.428
162 HG1 THR 26 HG1 THR 26 -8.230 8.359 0.799
163 HG21 THR 26 3HG2 THR 26 -6.929 10.187 3.974
164 HG22 THR 26 1HG2 THR 26 -6.711 10.624 2.280
165 HG23 THR 26 2HG2 THR 26 -5.569 9.531 3.063
166 H ASN 27 H ASN 27 -7.093 6.091 4.265
167 HA ASN 27 HA ASN 27 -5.170 6.876 6.068
168 HB2 ASN 27 1HB ASN 27 -6.699 4.322 5.710
169 HB3 ASN 27 2HB ASN 27 -5.460 4.429 6.957
170 HD21 ASN 27 1HD2 ASN 27 -7.661 3.938 8.065
171 HD22 ASN 27 2HD2 ASN 27 -8.473 5.324 8.703
172 H LEU 28 H LEU 28 -4.936 4.407 3.558
173 HA LEU 28 HA LEU 28 -2.353 3.484 4.338
174 HB2 LEU 28 1HB LEU 28 -3.639 1.966 3.104
175 HB3 LEU 28 2HB LEU 28 -4.038 3.168 1.878
176 HG LEU 28 HG LEU 28 -1.511 3.092 1.320
177 HD11 LEU 28 1HD1 LEU 28 -0.874 0.535 1.749
178 HD12 LEU 28 2HD1 LEU 28 -1.831 0.832 3.200
179 HD13 LEU 28 3HD1 LEU 28 -0.421 1.834 2.853
180 HD21 LEU 28 3HD2 LEU 28 -1.897 1.115 -0.151
181 HD22 LEU 28 1HD2 LEU 28 -3.169 2.334 -0.229
182 HD23 LEU 28 2HD2 LEU 28 -3.426 0.851 0.690
183 H ILE 29 H ILE 29 -3.517 5.689 1.810
184 HA ILE 29 HA ILE 29 -1.102 6.251 0.570
185 HB ILE 29 HB ILE 29 -3.404 8.150 1.033
186 HG12 ILE 29 1HG1 ILE 29 -2.864 6.619 -1.493
187 HG13 ILE 29 2HG1 ILE 29 -3.750 5.866 -0.172
188 HG21 ILE 29 1HG2 ILE 29 -1.610 8.363 -1.320
189 HG22 ILE 29 2HG2 ILE 29 -2.486 9.618 -0.444
190 HG23 ILE 29 3HG2 ILE 29 -1.004 8.942 0.232
191 HD11 ILE 29 3HD1 ILE 29 -5.595 6.795 -0.949
192 HD12 ILE 29 1HD1 ILE 29 -4.923 8.381 -0.572
193 HD13 ILE 29 2HD1 ILE 29 -4.679 7.677 -2.171
194 H ILE 30 H ILE 30 -2.590 7.857 3.367
195 HA ILE 30 HA ILE 30 -0.579 9.797 3.728
196 HB ILE 30 HB ILE 30 -2.440 8.603 5.785
197 HG12 ILE 30 1HG1 ILE 30 -2.710 11.187 4.240
198 HG13 ILE 30 2HG1 ILE 30 -3.508 9.687 3.778
199 HG21 ILE 30 1HG2 ILE 30 -1.945 10.438 7.188
200 HG22 ILE 30 2HG2 ILE 30 -0.391 9.808 6.645
201 HG23 ILE 30 3HG2 ILE 30 -1.055 11.268 5.912
202 HD11 ILE 30 3HD1 ILE 30 -4.973 9.768 5.538
203 HD12 ILE 30 1HD1 ILE 30 -3.900 10.757 6.528
204 HD13 ILE 30 2HD1 ILE 30 -4.769 11.481 5.175
205 H HIS 31 H HIS 31 -0.856 6.466 4.740
206 HA HIS 31 HA HIS 31 1.289 6.574 6.638
207 HB2 HIS 31 1HB HIS 31 -0.168 4.833 7.107
208 HB3 HIS 31 2HB HIS 31 -0.364 4.402 5.410
209 HD1 HIS 31 HD1 HIS 31 1.593 3.604 8.420
210 HD2 HIS 31 HD2 HIS 31 1.823 2.868 4.338
211 HE1 HIS 31 HE1 HIS 31 3.258 1.737 8.166
212 H GLN 32 H GLN 32 0.950 5.500 3.280
213 HA GLN 32 HA GLN 32 3.429 4.369 2.864
214 HB2 GLN 32 1HB GLN 32 1.678 5.988 1.020
215 HB3 GLN 32 2HB GLN 32 3.158 5.209 0.473
216 HG2 GLN 32 1HG GLN 32 2.151 3.056 1.415
217 HG3 GLN 32 2HG GLN 32 0.629 3.944 1.457
218 HE21 GLN 32 1HE2 GLN 32 -0.597 3.655 -0.247
219 HE22 GLN 32 2HE2 GLN 32 -0.058 3.303 -1.850
220 H LYS 33 H LYS 33 2.653 7.658 3.463
221 HA LYS 33 HA LYS 33 4.746 9.003 2.214
222 HB2 LYS 33 1HB LYS 33 3.356 9.588 4.833
223 HB3 LYS 33 2HB LYS 33 4.457 10.704 4.035
224 HG2 LYS 33 1HG LYS 33 2.860 10.412 2.006
225 HG3 LYS 33 2HG LYS 33 1.717 9.846 3.226
226 HD2 LYS 33 1HD LYS 33 1.838 11.915 4.407
227 HD3 LYS 33 2HD LYS 33 3.195 12.466 3.421
228 HE2 LYS 33 1HE LYS 33 0.658 11.749 2.047
229 HE3 LYS 33 2HE LYS 33 0.709 13.258 2.957
230 HZ1 LYS 33 3HZ LYS 33 2.552 12.477 0.762
231 HZ2 LYS 33 1HZ LYS 33 2.661 13.906 1.661
232 HZ3 LYS 33 2HZ LYS 33 1.320 13.633 0.667
233 H ILE 34 H ILE 34 4.776 6.887 4.932
234 HA ILE 34 HA ILE 34 7.177 7.805 6.144
235 HB ILE 34 HB ILE 34 7.145 5.821 7.448
236 HG12 ILE 34 1HG1 ILE 34 5.103 4.651 5.551
237 HG13 ILE 34 2HG1 ILE 34 6.823 4.284 5.477
238 HG21 ILE 34 1HG2 ILE 34 4.605 5.650 7.984
239 HG22 ILE 34 2HG2 ILE 34 5.459 7.166 8.266
240 HG23 ILE 34 3HG2 ILE 34 4.460 6.972 6.826
241 HD11 ILE 34 3HD1 ILE 34 5.725 3.908 8.134
242 HD12 ILE 34 1HD1 ILE 34 4.921 2.918 6.916
243 HD13 ILE 34 2HD1 ILE 34 6.669 2.808 7.128
244 H HIS 35 H HIS 35 6.613 6.276 3.219
245 HA HIS 35 HA HIS 35 9.352 5.192 3.148
246 HB2 HIS 35 1HB HIS 35 7.140 4.395 1.264
247 HB3 HIS 35 2HB HIS 35 8.661 3.563 1.574
248 HD1 HIS 35 HD1 HIS 35 8.802 2.812 4.309
249 HD2 HIS 35 HD2 HIS 35 5.086 3.153 2.482
250 HE1 HIS 35 HE1 HIS 35 7.228 1.461 5.730
251 H THR 36 H THR 36 8.191 7.949 2.571
252 HA THR 36 HA THR 36 9.224 8.212 -0.178
253 HB THR 36 HB THR 36 7.839 10.177 -0.470
254 HG1 THR 36 HG1 THR 36 6.694 11.055 1.158
255 HG21 THR 36 3HG2 THR 36 6.606 7.607 0.350
256 HG22 THR 36 1HG2 THR 36 6.533 8.456 -1.194
257 HG23 THR 36 2HG2 THR 36 5.528 8.989 0.154
258 H GLY 37 H GLY 37 10.894 8.182 2.135
259 HA2 GLY 37 1HA GLY 37 11.624 10.998 2.517
260 HA3 GLY 37 2HA GLY 37 12.206 9.644 3.474
261 H GLU 38 H GLU 38 13.426 7.961 2.005
262 HA GLU 38 HA GLU 38 15.851 8.969 1.304
263 HB2 GLU 38 1HB GLU 38 14.367 6.555 0.310
264 HB3 GLU 38 2HB GLU 38 15.970 6.935 -0.304
265 HG2 GLU 38 1HG GLU 38 16.202 5.358 1.463
266 HG3 GLU 38 2HG GLU 38 16.809 6.912 2.032
267 H ARG 39 H ARG 39 16.872 9.693 -0.551
268 HA ARG 39 HA ARG 39 15.637 9.838 -3.094
269 HB2 ARG 39 1HB ARG 39 14.405 11.604 -1.630
270 HB3 ARG 39 2HB ARG 39 15.880 12.544 -1.820
271 HG2 ARG 39 1HG ARG 39 15.618 12.401 -4.268
272 HG3 ARG 39 2HG ARG 39 14.094 11.546 -4.027
273 HD2 ARG 39 1HD ARG 39 13.318 13.683 -4.271
274 HD3 ARG 39 2HD ARG 39 13.547 13.636 -2.523
275 HE ARG 39 HE ARG 39 15.811 14.601 -4.045
276 HH11 ARG 39 1HH1 ARG 39 12.910 15.410 -2.299
277 HH12 ARG 39 2HH1 ARG 39 13.391 17.047 -1.998
278 HH21 ARG 39 1HH2 ARG 39 16.456 16.755 -3.656
279 HH22 ARG 39 2HH2 ARG 39 15.408 17.811 -2.771
280 HA PRO 40 HA PRO 40 19.984 10.258 -3.868
281 HB2 PRO 40 1HB PRO 40 19.813 10.357 -6.575
282 HB3 PRO 40 2HB PRO 40 19.635 8.858 -5.656
283 HG2 PRO 40 1HG PRO 40 17.520 10.638 -6.804
284 HG3 PRO 40 2HG PRO 40 17.616 8.867 -6.810
285 HD2 PRO 40 1HD PRO 40 16.064 10.235 -5.063
286 HD3 PRO 40 2HD PRO 40 16.836 8.692 -4.649
287 H SER 41 H SER 41 21.334 11.955 -4.063
288 HA SER 41 HA SER 41 20.254 14.452 -5.196
289 HB2 SER 41 1HB SER 41 20.386 14.642 -2.765
290 HB3 SER 41 2HB SER 41 22.077 14.143 -2.798
291 HG SER 41 HG SER 41 22.198 16.304 -2.767
292 H GLY 42 H GLY 42 21.523 12.828 -6.903
293 HA2 GLY 42 1HA GLY 42 24.350 13.553 -6.987
294 HA3 GLY 42 2HA GLY 42 23.535 12.418 -8.052
295 HA PRO 43 HA PRO 43 24.301 16.285 -10.463
296 HB2 PRO 43 1HB PRO 43 25.114 14.992 -12.707
297 HB3 PRO 43 2HB PRO 43 26.210 15.393 -11.380
298 HG2 PRO 43 1HG PRO 43 24.857 12.796 -11.999
299 HG3 PRO 43 2HG PRO 43 26.528 13.092 -11.486
300 HD2 PRO 43 1HD PRO 43 24.605 12.256 -9.773
301 HD3 PRO 43 2HD PRO 43 25.942 13.310 -9.267
302 H SER 44 H SER 44 22.301 13.537 -10.708
303 HA SER 44 HA SER 44 20.901 14.470 -13.081
304 HB2 SER 44 1HB SER 44 20.688 12.026 -11.341
305 HB3 SER 44 2HB SER 44 19.409 12.430 -12.486
306 HG SER 44 HG SER 44 22.065 11.672 -12.970
307 H SER 45 H SER 45 19.312 15.896 -12.968
308 HA SER 45 HA SER 45 18.337 17.170 -10.786
309 HB2 SER 45 1HB SER 45 16.368 17.783 -12.113
310 HB3 SER 45 2HB SER 45 17.824 17.834 -13.106
311 HG SER 45 HG SER 45 16.360 15.455 -13.027
312 H GLY 46 H GLY 46 17.061 16.727 -9.102
313 HA2 GLY 46 1HA GLY 46 14.983 14.728 -9.256
314 HA3 GLY 46 2HA GLY 46 16.342 14.260 -8.246
Start of MODEL 16
1 H1 GLY 1 H GLY 1 18.021 -19.171 9.653
2 HA2 GLY 1 1HA GLY 1 17.246 -19.211 6.801
3 HA3 GLY 1 2HA GLY 1 16.091 -19.108 8.121
4 H SER 2 H SER 2 17.071 -17.338 5.738
5 HA SER 2 HA SER 2 17.466 -14.866 7.282
6 HB2 SER 2 1HB SER 2 19.060 -15.676 5.347
7 HB3 SER 2 2HB SER 2 17.813 -14.985 4.310
8 HG SER 2 HG SER 2 19.612 -13.567 5.047
9 H SER 3 H SER 3 15.677 -16.170 4.500
10 HA SER 3 HA SER 3 13.417 -14.464 5.197
11 HB2 SER 3 1HB SER 3 13.164 -13.767 2.793
12 HB3 SER 3 2HB SER 3 14.564 -13.069 3.607
13 HG SER 3 HG SER 3 15.890 -14.357 2.472
14 H GLY 4 H GLY 4 11.447 -15.049 3.940
15 HA2 GLY 4 1HA GLY 4 10.849 -16.982 2.260
16 HA3 GLY 4 2HA GLY 4 11.361 -17.958 3.628
17 H SER 5 H SER 5 9.061 -15.453 2.643
18 HA SER 5 HA SER 5 7.026 -16.724 4.289
19 HB2 SER 5 1HB SER 5 6.438 -14.786 5.531
20 HB3 SER 5 2HB SER 5 8.191 -14.921 5.671
21 HG SER 5 HG SER 5 8.311 -13.387 3.922
22 H SER 6 H SER 6 5.054 -16.648 3.372
23 HA SER 6 HA SER 6 4.799 -15.674 0.712
24 HB2 SER 6 1HB SER 6 3.607 -17.686 1.659
25 HB3 SER 6 2HB SER 6 2.561 -16.571 2.538
26 HG SER 6 HG SER 6 2.000 -17.417 0.263
27 H GLY 7 H GLY 7 3.074 -14.203 -0.020
28 HA2 GLY 7 1HA GLY 7 2.192 -12.221 1.934
29 HA3 GLY 7 2HA GLY 7 3.263 -11.652 0.663
30 H THR 8 H THR 8 0.310 -13.625 0.985
31 HA THR 8 HA THR 8 -0.988 -11.940 -1.013
32 HB THR 8 HB THR 8 0.047 -13.807 -2.286
33 HG1 THR 8 HG1 THR 8 -2.802 -13.821 -2.137
34 HG21 THR 8 3HG2 THR 8 -0.505 -15.391 -0.203
35 HG22 THR 8 1HG2 THR 8 -0.308 -16.012 -1.841
36 HG23 THR 8 2HG2 THR 8 -1.924 -15.732 -1.192
37 H GLY 9 H GLY 9 -3.272 -12.049 -0.982
38 HA2 GLY 9 1HA GLY 9 -4.923 -13.774 0.343
39 HA3 GLY 9 2HA GLY 9 -4.350 -12.693 1.604
40 H GLU 10 H GLU 10 -7.024 -12.836 1.044
41 HA GLU 10 HA GLU 10 -7.792 -10.765 -0.799
42 HB2 GLU 10 1HB GLU 10 -9.340 -12.355 1.248
43 HB3 GLU 10 2HB GLU 10 -10.075 -11.135 0.217
44 HG2 GLU 10 1HG GLU 10 -9.017 -12.524 -1.713
45 HG3 GLU 10 2HG GLU 10 -8.969 -13.807 -0.505
46 H ASN 11 H ASN 11 -6.862 -8.851 -0.144
47 HA ASN 11 HA ASN 11 -7.876 -7.760 2.397
48 HB2 ASN 11 1HB ASN 11 -5.141 -7.405 1.161
49 HB3 ASN 11 2HB ASN 11 -5.748 -6.403 2.476
50 HD21 ASN 11 1HD2 ASN 11 -3.443 -8.018 2.590
51 HD22 ASN 11 2HD2 ASN 11 -3.706 -9.238 3.784
52 HA PRO 12 HA PRO 12 -9.519 -4.414 0.074
53 HB2 PRO 12 1HB PRO 12 -9.383 -2.415 1.906
54 HB3 PRO 12 2HB PRO 12 -10.548 -3.741 2.015
55 HG2 PRO 12 1HG PRO 12 -7.935 -3.394 3.435
56 HG3 PRO 12 2HG PRO 12 -9.489 -3.962 4.073
57 HD2 PRO 12 1HD PRO 12 -7.482 -5.653 3.408
58 HD3 PRO 12 2HD PRO 12 -9.194 -6.092 3.244
59 H PHE 13 H PHE 13 -6.688 -3.405 2.004
60 HA PHE 13 HA PHE 13 -5.351 -2.439 -0.364
61 HB2 PHE 13 1HB PHE 13 -6.082 -0.486 1.828
62 HB3 PHE 13 2HB PHE 13 -5.104 -0.134 0.406
63 HD1 PHE 13 HD2 PHE 13 -6.233 -0.486 -1.887
64 HD2 PHE 13 HD1 PHE 13 -8.365 -0.134 1.780
65 HE1 PHE 13 HE2 PHE 13 -8.263 0.131 -3.132
66 HE2 PHE 13 HE1 PHE 13 -10.400 0.483 0.541
67 HZ PHE 13 HZ PHE 13 -10.350 0.617 -1.918
68 H ILE 14 H ILE 14 -3.301 -3.016 -0.146
69 HA ILE 14 HA ILE 14 -2.142 -3.095 2.563
70 HB ILE 14 HB ILE 14 -1.475 -4.862 0.206
71 HG12 ILE 14 1HG1 ILE 14 -3.600 -5.438 1.304
72 HG13 ILE 14 2HG1 ILE 14 -2.378 -6.672 1.589
73 HG21 ILE 14 1HG2 ILE 14 -0.181 -4.449 2.860
74 HG22 ILE 14 2HG2 ILE 14 -0.169 -6.055 2.135
75 HG23 ILE 14 3HG2 ILE 14 0.553 -4.695 1.275
76 HD11 ILE 14 3HD1 ILE 14 -1.991 -5.179 3.765
77 HD12 ILE 14 1HD1 ILE 14 -3.695 -4.831 3.477
78 HD13 ILE 14 2HD1 ILE 14 -3.159 -6.498 3.694
79 H CYS 15 H CYS 15 0.068 -2.530 2.787
80 HA CYS 15 HA CYS 15 0.920 -0.527 0.852
81 HB2 CYS 15 1HB CYS 15 0.894 -0.194 3.399
82 HB3 CYS 15 2HB CYS 15 2.325 -1.219 3.426
83 H SER 16 H SER 16 1.648 -1.779 -0.871
84 HA SER 16 HA SER 16 3.155 -4.012 -0.967
85 HB2 SER 16 1HB SER 16 3.406 -1.516 -2.648
86 HB3 SER 16 2HB SER 16 4.286 -3.000 -3.015
87 HG SER 16 HG SER 16 2.488 -3.339 -4.112
88 H GLU 17 H GLU 17 4.193 -0.907 0.178
89 HA GLU 17 HA GLU 17 6.982 -1.279 0.021
90 HB2 GLU 17 1HB GLU 17 5.275 0.421 1.838
91 HB3 GLU 17 2HB GLU 17 7.032 0.457 1.871
92 HG2 GLU 17 1HG GLU 17 6.129 2.282 0.545
93 HG3 GLU 17 2HG GLU 17 7.083 1.179 -0.446
94 H CYS 18 H CYS 18 5.028 -1.323 3.003
95 HA CYS 18 HA CYS 18 6.952 -3.214 4.152
96 HB2 CYS 18 1HB CYS 18 5.802 -2.616 6.321
97 HB3 CYS 18 2HB CYS 18 6.652 -1.291 5.531
98 H GLY 19 H GLY 19 3.434 -2.704 3.902
99 HA2 GLY 19 1HA GLY 19 2.163 -4.683 3.092
100 HA3 GLY 19 2HA GLY 19 3.108 -5.623 4.237
101 H LYS 20 H LYS 20 1.566 -2.466 4.693
102 HA LYS 20 HA LYS 20 0.140 -3.586 6.996
103 HB2 LYS 20 1HB LYS 20 1.656 -1.419 6.976
104 HB3 LYS 20 2HB LYS 20 0.181 -0.661 6.391
105 HG2 LYS 20 1HG LYS 20 -1.012 -1.388 8.371
106 HG3 LYS 20 2HG LYS 20 0.427 -2.231 8.950
107 HD2 LYS 20 1HD LYS 20 0.490 0.706 8.342
108 HD3 LYS 20 2HD LYS 20 -0.093 0.109 9.898
109 HE2 LYS 20 1HE LYS 20 2.162 -1.259 9.821
110 HE3 LYS 20 2HE LYS 20 2.646 0.038 8.730
111 HZ1 LYS 20 3HZ LYS 20 1.722 1.537 10.615
112 HZ2 LYS 20 1HZ LYS 20 3.269 0.868 10.760
113 HZ3 LYS 20 2HZ LYS 20 1.966 0.174 11.586
114 H VAL 21 H VAL 21 -2.024 -3.743 7.065
115 HA VAL 21 HA VAL 21 -3.512 -3.011 4.662
116 HB VAL 21 HB VAL 21 -3.779 -5.293 5.511
117 HG11 VAL 21 1HG1 VAL 21 -3.430 -4.688 7.913
118 HG12 VAL 21 2HG1 VAL 21 -5.084 -4.073 7.937
119 HG13 VAL 21 3HG1 VAL 21 -4.783 -5.782 7.622
120 HG21 VAL 21 3HG2 VAL 21 -6.027 -3.397 5.280
121 HG22 VAL 21 1HG2 VAL 21 -5.686 -4.873 4.377
122 HG23 VAL 21 2HG2 VAL 21 -6.411 -4.968 5.982
123 H PHE 22 H PHE 22 -5.008 -1.442 4.579
124 HA PHE 22 HA PHE 22 -5.731 -0.099 7.100
125 HB2 PHE 22 1HB PHE 22 -5.295 1.183 4.394
126 HB3 PHE 22 2HB PHE 22 -5.810 2.023 5.854
127 HD1 PHE 22 HD2 PHE 22 -3.014 0.303 4.205
128 HD2 PHE 22 HD1 PHE 22 -4.255 2.605 7.563
129 HE1 PHE 22 HE2 PHE 22 -0.660 0.681 4.812
130 HE2 PHE 22 HE1 PHE 22 -1.903 2.988 8.175
131 HZ PHE 22 HZ PHE 22 -0.101 2.024 6.799
132 H THR 23 H THR 23 -7.841 0.194 7.489
133 HA THR 23 HA THR 23 -9.791 -1.118 5.938
134 HB THR 23 HB THR 23 -11.413 0.293 7.390
135 HG1 THR 23 HG1 THR 23 -9.200 0.682 9.068
136 HG21 THR 23 3HG2 THR 23 -9.409 -1.609 8.607
137 HG22 THR 23 1HG2 THR 23 -10.953 -2.029 7.867
138 HG23 THR 23 2HG2 THR 23 -10.917 -1.117 9.377
139 H HIS 24 H HIS 24 -8.391 1.986 5.654
140 HA HIS 24 HA HIS 24 -10.259 2.631 3.499
141 HB2 HIS 24 1HB HIS 24 -10.254 5.042 4.295
142 HB3 HIS 24 2HB HIS 24 -11.194 3.914 5.267
143 HD1 HIS 24 HD1 HIS 24 -9.426 6.709 5.937
144 HD2 HIS 24 HD2 HIS 24 -8.925 2.810 7.282
145 HE1 HIS 24 HE1 HIS 24 -8.136 6.900 8.087
146 H LYS 25 H LYS 25 -9.051 2.835 1.744
147 HA LYS 25 HA LYS 25 -6.411 2.893 1.393
148 HB2 LYS 25 1HB LYS 25 -8.420 3.203 -0.308
149 HB3 LYS 25 2HB LYS 25 -7.911 4.886 -0.247
150 HG2 LYS 25 1HG LYS 25 -5.640 4.195 -0.902
151 HG3 LYS 25 2HG LYS 25 -6.209 2.529 -1.032
152 HD2 LYS 25 1HD LYS 25 -7.427 4.809 -2.576
153 HD3 LYS 25 2HD LYS 25 -6.096 3.830 -3.195
154 HE2 LYS 25 1HE LYS 25 -7.405 1.927 -3.361
155 HE3 LYS 25 2HE LYS 25 -8.576 2.507 -2.177
156 HZ1 LYS 25 3HZ LYS 25 -8.412 3.028 -5.034
157 HZ2 LYS 25 1HZ LYS 25 -8.875 4.336 -4.067
158 HZ3 LYS 25 2HZ LYS 25 -9.769 2.901 -4.032
159 H THR 26 H THR 26 -8.336 5.811 2.024
160 HA THR 26 HA THR 26 -6.618 7.844 1.821
161 HB THR 26 HB THR 26 -8.350 7.355 4.252
162 HG1 THR 26 HG1 THR 26 -9.016 9.063 2.116
163 HG21 THR 26 3HG2 THR 26 -7.212 9.156 5.018
164 HG22 THR 26 1HG2 THR 26 -8.300 10.035 3.944
165 HG23 THR 26 2HG2 THR 26 -6.668 9.630 3.409
166 H ASN 27 H ASN 27 -6.772 5.878 4.799
167 HA ASN 27 HA ASN 27 -4.573 6.982 6.079
168 HB2 ASN 27 1HB ASN 27 -6.328 5.266 6.928
169 HB3 ASN 27 2HB ASN 27 -5.208 4.053 6.313
170 HD21 ASN 27 1HD2 ASN 27 -6.121 5.580 9.008
171 HD22 ASN 27 2HD2 ASN 27 -4.649 5.531 9.911
172 H LEU 28 H LEU 28 -4.704 4.194 3.884
173 HA LEU 28 HA LEU 28 -2.034 3.428 4.020
174 HB2 LEU 28 1HB LEU 28 -3.494 1.970 2.923
175 HB3 LEU 28 2HB LEU 28 -4.106 3.238 1.863
176 HG LEU 28 HG LEU 28 -1.766 3.248 0.825
177 HD11 LEU 28 1HD1 LEU 28 -0.318 2.044 2.071
178 HD12 LEU 28 2HD1 LEU 28 -0.929 0.716 1.084
179 HD13 LEU 28 3HD1 LEU 28 -1.574 0.979 2.704
180 HD21 LEU 28 3HD2 LEU 28 -4.057 1.578 0.404
181 HD22 LEU 28 1HD2 LEU 28 -2.591 0.709 -0.049
182 HD23 LEU 28 2HD2 LEU 28 -2.949 2.274 -0.780
183 H ILE 29 H ILE 29 -3.593 5.790 1.879
184 HA ILE 29 HA ILE 29 -1.313 6.438 0.367
185 HB ILE 29 HB ILE 29 -3.737 8.121 1.007
186 HG12 ILE 29 1HG1 ILE 29 -3.113 6.705 -1.577
187 HG13 ILE 29 2HG1 ILE 29 -3.960 5.892 -0.265
188 HG21 ILE 29 1HG2 ILE 29 -2.049 9.636 0.346
189 HG22 ILE 29 2HG2 ILE 29 -1.477 8.559 -0.926
190 HG23 ILE 29 3HG2 ILE 29 -3.040 9.359 -1.085
191 HD11 ILE 29 3HD1 ILE 29 -5.641 6.667 -1.679
192 HD12 ILE 29 1HD1 ILE 29 -5.605 7.833 -0.356
193 HD13 ILE 29 2HD1 ILE 29 -4.857 8.231 -1.903
194 H ILE 30 H ILE 30 -2.545 7.676 3.423
195 HA ILE 30 HA ILE 30 -0.644 9.817 3.590
196 HB ILE 30 HB ILE 30 -2.364 8.593 5.751
197 HG12 ILE 30 1HG1 ILE 30 -2.780 11.081 4.079
198 HG13 ILE 30 2HG1 ILE 30 -3.648 9.564 3.877
199 HG21 ILE 30 1HG2 ILE 30 -0.861 11.207 5.707
200 HG22 ILE 30 2HG2 ILE 30 -1.935 10.653 6.990
201 HG23 ILE 30 3HG2 ILE 30 -0.436 9.785 6.659
202 HD11 ILE 30 3HD1 ILE 30 -4.159 11.746 5.674
203 HD12 ILE 30 1HD1 ILE 30 -5.171 10.360 5.267
204 HD13 ILE 30 2HD1 ILE 30 -3.975 10.230 6.557
205 H HIS 31 H HIS 31 -0.815 6.500 4.704
206 HA HIS 31 HA HIS 31 1.389 6.652 6.499
207 HB2 HIS 31 1HB HIS 31 0.018 4.835 6.945
208 HB3 HIS 31 2HB HIS 31 -0.177 4.432 5.242
209 HD1 HIS 31 HD1 HIS 31 1.924 3.737 8.201
210 HD2 HIS 31 HD2 HIS 31 1.996 2.960 4.121
211 HE1 HIS 31 HE1 HIS 31 3.658 1.943 7.890
212 H GLN 32 H GLN 32 1.103 5.108 3.293
213 HA GLN 32 HA GLN 32 3.582 4.282 2.765
214 HB2 GLN 32 1HB GLN 32 1.777 5.875 0.950
215 HB3 GLN 32 2HB GLN 32 3.265 5.125 0.386
216 HG2 GLN 32 1HG GLN 32 2.445 2.948 0.859
217 HG3 GLN 32 2HG GLN 32 1.049 3.595 1.719
218 HE21 GLN 32 1HE2 GLN 32 0.308 1.892 -0.028
219 HE22 GLN 32 2HE2 GLN 32 -0.269 2.599 -1.494
220 H LYS 33 H LYS 33 2.634 7.628 3.075
221 HA LYS 33 HA LYS 33 4.713 8.988 1.924
222 HB2 LYS 33 1HB LYS 33 3.376 9.596 4.567
223 HB3 LYS 33 2HB LYS 33 4.353 10.733 3.648
224 HG2 LYS 33 1HG LYS 33 2.610 10.100 1.748
225 HG3 LYS 33 2HG LYS 33 1.601 9.759 3.156
226 HD2 LYS 33 1HD LYS 33 1.692 11.966 3.905
227 HD3 LYS 33 2HD LYS 33 3.121 12.335 2.937
228 HE2 LYS 33 1HE LYS 33 1.422 13.396 1.769
229 HE3 LYS 33 2HE LYS 33 1.582 11.862 0.915
230 HZ1 LYS 33 3HZ LYS 33 -0.261 11.588 3.033
231 HZ2 LYS 33 1HZ LYS 33 -0.518 11.392 1.372
232 HZ3 LYS 33 2HZ LYS 33 -0.701 12.916 2.082
233 H ILE 34 H ILE 34 4.647 7.616 5.204
234 HA ILE 34 HA ILE 34 7.050 8.416 6.197
235 HB ILE 34 HB ILE 34 7.129 6.410 7.537
236 HG12 ILE 34 1HG1 ILE 34 4.826 5.180 6.091
237 HG13 ILE 34 2HG1 ILE 34 6.431 5.010 5.389
238 HG21 ILE 34 1HG2 ILE 34 5.538 7.629 8.566
239 HG22 ILE 34 2HG2 ILE 34 4.597 7.841 7.090
240 HG23 ILE 34 3HG2 ILE 34 4.473 6.340 8.007
241 HD11 ILE 34 3HD1 ILE 34 5.232 3.589 7.567
242 HD12 ILE 34 1HD1 ILE 34 6.743 3.271 6.716
243 HD13 ILE 34 2HD1 ILE 34 6.721 4.374 8.092
244 H HIS 35 H HIS 35 6.508 6.238 3.563
245 HA HIS 35 HA HIS 35 9.179 5.149 3.576
246 HB2 HIS 35 1HB HIS 35 6.972 4.990 1.514
247 HB3 HIS 35 2HB HIS 35 8.495 4.110 1.424
248 HD1 HIS 35 HD1 HIS 35 8.750 2.987 4.214
249 HD2 HIS 35 HD2 HIS 35 5.156 3.082 2.133
250 HE1 HIS 35 HE1 HIS 35 7.325 1.192 5.250
251 H THR 36 H THR 36 7.420 7.675 1.884
252 HA THR 36 HA THR 36 9.716 8.263 0.187
253 HB THR 36 HB THR 36 7.247 8.338 -0.581
254 HG1 THR 36 HG1 THR 36 7.804 10.192 -1.943
255 HG21 THR 36 3HG2 THR 36 5.888 10.007 0.091
256 HG22 THR 36 1HG2 THR 36 7.194 11.190 0.129
257 HG23 THR 36 2HG2 THR 36 6.964 10.087 1.486
258 H GLY 37 H GLY 37 8.826 8.987 3.266
259 HA2 GLY 37 1HA GLY 37 10.268 11.563 3.165
260 HA3 GLY 37 2HA GLY 37 8.842 11.349 4.170
261 H GLU 38 H GLU 38 11.744 9.360 3.595
262 HA GLU 38 HA GLU 38 11.957 8.897 6.459
263 HB2 GLU 38 1HB GLU 38 13.136 7.661 4.013
264 HB3 GLU 38 2HB GLU 38 14.004 7.493 5.532
265 HG2 GLU 38 1HG GLU 38 11.184 6.610 4.970
266 HG3 GLU 38 2HG GLU 38 12.596 5.574 5.164
267 H ARG 39 H ARG 39 13.037 10.309 7.655
268 HA ARG 39 HA ARG 39 15.554 11.406 6.598
269 HB2 ARG 39 1HB ARG 39 13.425 12.901 8.137
270 HB3 ARG 39 2HB ARG 39 15.034 13.530 7.807
271 HG2 ARG 39 1HG ARG 39 14.610 13.822 5.565
272 HG3 ARG 39 2HG ARG 39 13.322 12.616 5.544
273 HD2 ARG 39 1HD ARG 39 11.869 14.107 6.787
274 HD3 ARG 39 2HD ARG 39 13.164 15.297 6.916
275 HE ARG 39 HE ARG 39 11.407 14.940 4.721
276 HH11 ARG 39 1HH1 ARG 39 14.706 15.724 5.508
277 HH12 ARG 39 2HH1 ARG 39 14.964 16.658 4.071
278 HH21 ARG 39 1HH2 ARG 39 11.734 16.167 2.826
279 HH22 ARG 39 2HH2 ARG 39 13.272 16.910 2.547
280 HA PRO 40 HA PRO 40 17.047 9.584 10.373
281 HB2 PRO 40 1HB PRO 40 19.628 10.371 10.068
282 HB3 PRO 40 2HB PRO 40 18.923 9.020 9.172
283 HG2 PRO 40 1HG PRO 40 19.371 11.846 8.294
284 HG3 PRO 40 2HG PRO 40 19.657 10.340 7.404
285 HD2 PRO 40 1HD PRO 40 17.464 11.875 7.000
286 HD3 PRO 40 2HD PRO 40 17.437 10.108 6.831
287 H SER 41 H SER 41 17.535 12.935 9.425
288 HA SER 41 HA SER 41 17.907 14.844 10.623
289 HB2 SER 41 1HB SER 41 16.399 15.195 12.467
290 HB3 SER 41 2HB SER 41 15.561 14.208 11.270
291 HG SER 41 HG SER 41 15.210 13.022 12.996
292 H GLY 42 H GLY 42 19.948 12.882 10.907
293 HA2 GLY 42 1HA GLY 42 21.584 13.938 12.816
294 HA3 GLY 42 2HA GLY 42 20.693 12.692 13.678
295 HA PRO 43 HA PRO 43 23.741 9.809 12.376
296 HB2 PRO 43 1HB PRO 43 22.323 7.512 12.670
297 HB3 PRO 43 2HB PRO 43 22.945 8.440 14.040
298 HG2 PRO 43 1HG PRO 43 20.189 8.402 12.872
299 HG3 PRO 43 2HG PRO 43 20.682 8.393 14.575
300 HD2 PRO 43 1HD PRO 43 19.838 10.636 13.315
301 HD3 PRO 43 2HD PRO 43 21.051 10.668 14.611
302 H SER 44 H SER 44 24.411 9.216 10.414
303 HA SER 44 HA SER 44 22.402 8.800 8.313
304 HB2 SER 44 1HB SER 44 24.239 10.579 8.095
305 HB3 SER 44 2HB SER 44 25.353 9.232 7.867
306 HG SER 44 HG SER 44 24.725 9.232 5.873
307 H SER 45 H SER 45 23.063 7.220 6.575
308 HA SER 45 HA SER 45 23.306 5.019 6.024
309 HB2 SER 45 1HB SER 45 25.698 5.899 6.125
310 HB3 SER 45 2HB SER 45 25.814 5.118 7.702
311 HG SER 45 HG SER 45 24.905 3.235 6.293
312 H GLY 46 H GLY 46 21.616 5.383 8.200
313 HA2 GLY 46 1HA GLY 46 22.122 3.972 10.517
314 HA3 GLY 46 2HA GLY 46 20.535 4.107 9.775
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -0.710 -34.051 -8.575
2 HA2 GLY 1 1HA GLY 1 -3.288 -33.632 -7.618
3 HA3 GLY 1 2HA GLY 1 -2.242 -33.746 -6.210
4 H SER 2 H SER 2 -1.713 -31.817 -5.459
5 HA SER 2 HA SER 2 -0.812 -29.761 -7.331
6 HB2 SER 2 1HB SER 2 -3.342 -29.567 -6.561
7 HB3 SER 2 2HB SER 2 -2.609 -28.874 -5.115
8 HG SER 2 HG SER 2 -1.715 -27.945 -7.587
9 H SER 3 H SER 3 0.483 -28.108 -6.353
10 HA SER 3 HA SER 3 1.909 -29.095 -4.005
11 HB2 SER 3 1HB SER 3 3.362 -28.537 -5.807
12 HB3 SER 3 2HB SER 3 2.554 -26.992 -6.074
13 HG SER 3 HG SER 3 3.817 -26.142 -4.638
14 H GLY 4 H GLY 4 0.813 -28.520 -2.197
15 HA2 GLY 4 1HA GLY 4 0.034 -27.166 -0.516
16 HA3 GLY 4 2HA GLY 4 0.999 -25.886 -1.238
17 H SER 5 H SER 5 -1.495 -25.471 -0.001
18 HA SER 5 HA SER 5 -2.835 -24.038 -2.077
19 HB2 SER 5 1HB SER 5 -5.051 -25.194 -1.748
20 HB3 SER 5 2HB SER 5 -3.841 -26.158 -2.593
21 HG SER 5 HG SER 5 -3.419 -26.817 -0.189
22 H SER 6 H SER 6 -3.987 -22.361 -1.263
23 HA SER 6 HA SER 6 -4.326 -22.278 1.664
24 HB2 SER 6 1HB SER 6 -3.455 -20.155 -0.280
25 HB3 SER 6 2HB SER 6 -4.176 -19.718 1.269
26 HG SER 6 HG SER 6 -2.406 -20.302 2.254
27 H GLY 7 H GLY 7 -6.335 -23.379 0.183
28 HA2 GLY 7 1HA GLY 7 -8.522 -23.099 -0.561
29 HA3 GLY 7 2HA GLY 7 -8.639 -22.296 0.998
30 H THR 8 H THR 8 -9.192 -20.210 1.035
31 HA THR 8 HA THR 8 -8.759 -18.565 -1.347
32 HB THR 8 HB THR 8 -11.029 -19.435 -1.610
33 HG1 THR 8 HG1 THR 8 -12.072 -17.181 -1.286
34 HG21 THR 8 3HG2 THR 8 -12.727 -18.514 0.133
35 HG22 THR 8 1HG2 THR 8 -11.326 -18.445 1.201
36 HG23 THR 8 2HG2 THR 8 -11.826 -19.984 0.500
37 H GLY 9 H GLY 9 -8.751 -16.312 -0.953
38 HA2 GLY 9 1HA GLY 9 -9.046 -15.401 1.802
39 HA3 GLY 9 2HA GLY 9 -7.435 -15.283 1.110
40 H GLU 10 H GLU 10 -8.726 -13.034 2.008
41 HA GLU 10 HA GLU 10 -8.922 -11.512 -0.459
42 HB2 GLU 10 1HB GLU 10 -11.029 -10.496 0.032
43 HB3 GLU 10 2HB GLU 10 -11.253 -12.238 0.113
44 HG2 GLU 10 1HG GLU 10 -11.033 -12.095 2.580
45 HG3 GLU 10 2HG GLU 10 -10.979 -10.340 2.430
46 H ASN 11 H ASN 11 -8.610 -9.252 -0.169
47 HA ASN 11 HA ASN 11 -8.043 -8.229 2.474
48 HB2 ASN 11 1HB ASN 11 -5.718 -7.518 1.827
49 HB3 ASN 11 2HB ASN 11 -5.916 -9.253 2.056
50 HD21 ASN 11 1HD2 ASN 11 -4.654 -6.931 0.091
51 HD22 ASN 11 2HD2 ASN 11 -4.484 -7.850 -1.362
52 HA PRO 12 HA PRO 12 -9.597 -4.632 0.432
53 HB2 PRO 12 1HB PRO 12 -9.038 -2.836 2.389
54 HB3 PRO 12 2HB PRO 12 -10.371 -3.992 2.499
55 HG2 PRO 12 1HG PRO 12 -7.637 -4.132 3.710
56 HG3 PRO 12 2HG PRO 12 -9.204 -4.533 4.436
57 HD2 PRO 12 1HD PRO 12 -7.517 -6.421 3.477
58 HD3 PRO 12 2HD PRO 12 -9.282 -6.605 3.429
59 H PHE 13 H PHE 13 -7.197 -3.015 2.341
60 HA PHE 13 HA PHE 13 -5.690 -2.398 -0.115
61 HB2 PHE 13 1HB PHE 13 -6.334 -0.685 2.282
62 HB3 PHE 13 2HB PHE 13 -5.063 -0.263 1.139
63 HD1 PHE 13 HD2 PHE 13 -5.638 0.244 -1.212
64 HD2 PHE 13 HD1 PHE 13 -8.621 -0.367 1.762
65 HE1 PHE 13 HE2 PHE 13 -7.305 1.318 -2.668
66 HE2 PHE 13 HE1 PHE 13 -10.293 0.705 0.310
67 HZ PHE 13 HZ PHE 13 -9.636 1.550 -1.908
68 H ILE 14 H ILE 14 -3.464 -2.412 -0.056
69 HA ILE 14 HA ILE 14 -2.169 -3.173 2.464
70 HB ILE 14 HB ILE 14 -1.664 -4.588 -0.156
71 HG12 ILE 14 1HG1 ILE 14 -3.845 -5.153 0.955
72 HG13 ILE 14 2HG1 ILE 14 -2.737 -6.512 0.801
73 HG21 ILE 14 1HG2 ILE 14 0.358 -4.746 0.894
74 HG22 ILE 14 2HG2 ILE 14 -0.344 -4.623 2.506
75 HG23 ILE 14 3HG2 ILE 14 -0.457 -6.137 1.609
76 HD11 ILE 14 3HD1 ILE 14 -2.606 -6.794 3.005
77 HD12 ILE 14 1HD1 ILE 14 -2.462 -5.064 3.315
78 HD13 ILE 14 2HD1 ILE 14 -4.053 -5.787 3.073
79 H CYS 15 H CYS 15 0.108 -2.762 2.529
80 HA CYS 15 HA CYS 15 0.883 -0.572 0.740
81 HB2 CYS 15 1HB CYS 15 0.901 -0.347 3.294
82 HB3 CYS 15 2HB CYS 15 2.313 -1.397 3.262
83 H SER 16 H SER 16 2.178 -1.027 -0.900
84 HA SER 16 HA SER 16 3.548 -3.517 -1.129
85 HB2 SER 16 1HB SER 16 2.643 -2.287 -3.084
86 HB3 SER 16 2HB SER 16 3.845 -1.023 -2.822
87 HG SER 16 HG SER 16 5.294 -3.099 -2.903
88 H GLU 17 H GLU 17 4.262 -0.904 0.695
89 HA GLU 17 HA GLU 17 7.142 -0.933 0.233
90 HB2 GLU 17 1HB GLU 17 5.382 0.725 2.041
91 HB3 GLU 17 2HB GLU 17 7.137 0.833 2.041
92 HG2 GLU 17 1HG GLU 17 5.478 1.270 -0.423
93 HG3 GLU 17 2HG GLU 17 5.909 2.567 0.690
94 H CYS 18 H CYS 18 4.844 -1.568 2.870
95 HA CYS 18 HA CYS 18 6.939 -3.170 4.186
96 HB2 CYS 18 1HB CYS 18 5.661 -2.691 6.317
97 HB3 CYS 18 2HB CYS 18 6.484 -1.309 5.601
98 H GLY 19 H GLY 19 3.405 -2.839 3.851
99 HA2 GLY 19 1HA GLY 19 2.251 -4.840 2.938
100 HA3 GLY 19 2HA GLY 19 3.234 -5.784 4.047
101 H LYS 20 H LYS 20 1.721 -2.715 4.841
102 HA LYS 20 HA LYS 20 0.331 -3.990 7.047
103 HB2 LYS 20 1HB LYS 20 1.601 -1.686 7.014
104 HB3 LYS 20 2HB LYS 20 0.069 -1.080 6.400
105 HG2 LYS 20 1HG LYS 20 -1.073 -1.655 8.366
106 HG3 LYS 20 2HG LYS 20 0.240 -2.695 8.922
107 HD2 LYS 20 1HD LYS 20 0.671 0.242 8.499
108 HD3 LYS 20 2HD LYS 20 -0.035 -0.365 9.999
109 HE2 LYS 20 1HE LYS 20 2.598 -1.289 8.856
110 HE3 LYS 20 2HE LYS 20 2.433 -0.042 10.091
111 HZ1 LYS 20 3HZ LYS 20 2.786 -2.613 10.646
112 HZ2 LYS 20 1HZ LYS 20 1.095 -2.561 10.640
113 HZ3 LYS 20 2HZ LYS 20 1.968 -1.549 11.677
114 H VAL 21 H VAL 21 -1.957 -3.310 7.502
115 HA VAL 21 HA VAL 21 -3.513 -3.260 4.998
116 HB VAL 21 HB VAL 21 -4.435 -4.499 7.587
117 HG11 VAL 21 1HG1 VAL 21 -5.712 -5.694 5.442
118 HG12 VAL 21 2HG1 VAL 21 -6.390 -4.470 6.516
119 HG13 VAL 21 3HG1 VAL 21 -5.634 -3.989 4.997
120 HG21 VAL 21 3HG2 VAL 21 -2.469 -5.708 6.822
121 HG22 VAL 21 1HG2 VAL 21 -3.921 -6.677 6.575
122 HG23 VAL 21 2HG2 VAL 21 -3.166 -5.856 5.209
123 H PHE 22 H PHE 22 -4.782 -1.552 4.729
124 HA PHE 22 HA PHE 22 -5.606 -0.027 7.112
125 HB2 PHE 22 1HB PHE 22 -5.039 1.059 4.346
126 HB3 PHE 22 2HB PHE 22 -5.527 2.003 5.750
127 HD1 PHE 22 HD2 PHE 22 -2.802 0.080 4.219
128 HD2 PHE 22 HD1 PHE 22 -3.964 2.580 7.462
129 HE1 PHE 22 HE2 PHE 22 -0.438 0.374 4.835
130 HE2 PHE 22 HE1 PHE 22 -1.602 2.879 8.082
131 HZ PHE 22 HZ PHE 22 0.165 1.774 6.769
132 H THR 23 H THR 23 -7.720 0.405 7.359
133 HA THR 23 HA THR 23 -9.632 -0.954 5.772
134 HB THR 23 HB THR 23 -10.254 1.295 7.683
135 HG1 THR 23 HG1 THR 23 -9.283 -1.280 8.163
136 HG21 THR 23 3HG2 THR 23 -11.974 -1.026 7.735
137 HG22 THR 23 1HG2 THR 23 -11.864 -0.355 6.108
138 HG23 THR 23 2HG2 THR 23 -12.383 0.666 7.450
139 H HIS 24 H HIS 24 -8.654 2.439 5.996
140 HA HIS 24 HA HIS 24 -10.313 3.007 3.629
141 HB2 HIS 24 1HB HIS 24 -10.588 4.260 5.947
142 HB3 HIS 24 2HB HIS 24 -9.232 5.204 5.338
143 HD1 HIS 24 HD1 HIS 24 -9.662 6.643 3.196
144 HD2 HIS 24 HD2 HIS 24 -13.033 4.770 4.743
145 HE1 HIS 24 HE1 HIS 24 -11.622 7.761 2.085
146 H LYS 25 H LYS 25 -9.261 3.334 1.793
147 HA LYS 25 HA LYS 25 -6.604 3.118 1.327
148 HB2 LYS 25 1HB LYS 25 -6.956 4.428 -0.753
149 HB3 LYS 25 2HB LYS 25 -8.191 3.204 -0.491
150 HG2 LYS 25 1HG LYS 25 -9.505 5.167 0.610
151 HG3 LYS 25 2HG LYS 25 -8.402 6.173 -0.332
152 HD2 LYS 25 1HD LYS 25 -9.819 3.915 -1.674
153 HD3 LYS 25 2HD LYS 25 -10.704 5.404 -1.333
154 HE2 LYS 25 1HE LYS 25 -8.973 6.676 -2.538
155 HE3 LYS 25 2HE LYS 25 -8.146 5.166 -2.915
156 HZ1 LYS 25 3HZ LYS 25 -10.012 4.451 -4.203
157 HZ2 LYS 25 1HZ LYS 25 -9.572 5.997 -4.731
158 HZ3 LYS 25 2HZ LYS 25 -10.927 5.796 -3.739
159 H THR 26 H THR 26 -8.318 6.111 2.132
160 HA THR 26 HA THR 26 -6.348 7.984 1.792
161 HB THR 26 HB THR 26 -8.778 8.244 2.703
162 HG1 THR 26 HG1 THR 26 -7.199 9.951 2.268
163 HG21 THR 26 3HG2 THR 26 -7.255 8.289 5.306
164 HG22 THR 26 1HG2 THR 26 -8.270 6.943 4.790
165 HG23 THR 26 2HG2 THR 26 -8.986 8.530 5.069
166 H ASN 27 H ASN 27 -6.767 5.768 4.516
167 HA ASN 27 HA ASN 27 -4.683 6.846 6.106
168 HB2 ASN 27 1HB ASN 27 -6.585 5.314 6.856
169 HB3 ASN 27 2HB ASN 27 -5.635 3.986 6.195
170 HD21 ASN 27 1HD2 ASN 27 -6.451 4.520 8.940
171 HD22 ASN 27 2HD2 ASN 27 -4.994 4.595 9.866
172 H LEU 28 H LEU 28 -4.787 4.468 3.544
173 HA LEU 28 HA LEU 28 -2.151 3.451 3.994
174 HB2 LEU 28 1HB LEU 28 -3.392 1.921 2.848
175 HB3 LEU 28 2HB LEU 28 -4.251 3.150 1.922
176 HG LEU 28 HG LEU 28 -2.074 3.467 0.633
177 HD11 LEU 28 1HD1 LEU 28 -1.049 1.810 2.559
178 HD12 LEU 28 2HD1 LEU 28 -0.296 2.170 1.005
179 HD13 LEU 28 3HD1 LEU 28 -1.281 0.718 1.193
180 HD21 LEU 28 3HD2 LEU 28 -4.230 2.057 0.066
181 HD22 LEU 28 1HD2 LEU 28 -3.099 0.710 0.198
182 HD23 LEU 28 2HD2 LEU 28 -2.799 2.002 -0.964
183 H ILE 29 H ILE 29 -3.564 5.696 1.623
184 HA ILE 29 HA ILE 29 -1.235 6.277 0.206
185 HB ILE 29 HB ILE 29 -3.555 8.129 0.763
186 HG12 ILE 29 1HG1 ILE 29 -3.110 6.439 -1.693
187 HG13 ILE 29 2HG1 ILE 29 -4.023 5.849 -0.309
188 HG21 ILE 29 1HG2 ILE 29 -2.050 8.360 -1.750
189 HG22 ILE 29 2HG2 ILE 29 -2.704 9.613 -0.697
190 HG23 ILE 29 3HG2 ILE 29 -1.170 8.839 -0.300
191 HD11 ILE 29 3HD1 ILE 29 -5.443 7.956 -0.596
192 HD12 ILE 29 1HD1 ILE 29 -4.691 8.080 -2.186
193 HD13 ILE 29 2HD1 ILE 29 -5.640 6.653 -1.768
194 H ILE 30 H ILE 30 -2.591 7.841 3.086
195 HA ILE 30 HA ILE 30 -0.570 9.832 3.275
196 HB ILE 30 HB ILE 30 -2.411 8.770 5.422
197 HG12 ILE 30 1HG1 ILE 30 -2.702 11.311 3.821
198 HG13 ILE 30 2HG1 ILE 30 -3.446 9.794 3.326
199 HG21 ILE 30 1HG2 ILE 30 -0.850 11.348 5.339
200 HG22 ILE 30 2HG2 ILE 30 -1.922 10.809 6.629
201 HG23 ILE 30 3HG2 ILE 30 -0.426 9.935 6.304
202 HD11 ILE 30 3HD1 ILE 30 -5.144 10.126 4.699
203 HD12 ILE 30 1HD1 ILE 30 -4.059 10.343 6.071
204 HD13 ILE 30 2HD1 ILE 30 -4.483 11.721 5.056
205 H HIS 31 H HIS 31 -0.887 6.560 4.458
206 HA HIS 31 HA HIS 31 1.237 6.692 6.353
207 HB2 HIS 31 1HB HIS 31 -0.146 4.911 6.816
208 HB3 HIS 31 2HB HIS 31 -0.395 4.523 5.116
209 HD1 HIS 31 HD1 HIS 31 1.653 3.649 8.042
210 HD2 HIS 31 HD2 HIS 31 1.756 3.019 3.936
211 HE1 HIS 31 HE1 HIS 31 3.309 1.790 7.688
212 H GLN 32 H GLN 32 1.010 5.334 3.067
213 HA GLN 32 HA GLN 32 3.501 4.335 2.693
214 HB2 GLN 32 1HB GLN 32 1.798 5.939 0.792
215 HB3 GLN 32 2HB GLN 32 3.296 5.166 0.291
216 HG2 GLN 32 1HG GLN 32 2.270 3.011 1.216
217 HG3 GLN 32 2HG GLN 32 0.744 3.894 1.201
218 HE21 GLN 32 1HE2 GLN 32 -0.423 3.506 -0.524
219 HE22 GLN 32 2HE2 GLN 32 0.172 3.179 -2.113
220 H LYS 33 H LYS 33 2.674 7.648 3.174
221 HA LYS 33 HA LYS 33 4.848 8.949 2.013
222 HB2 LYS 33 1HB LYS 33 3.309 9.650 4.519
223 HB3 LYS 33 2HB LYS 33 4.424 10.736 3.699
224 HG2 LYS 33 1HG LYS 33 2.864 10.179 1.633
225 HG3 LYS 33 2HG LYS 33 1.699 9.865 2.922
226 HD2 LYS 33 1HD LYS 33 1.854 12.071 3.737
227 HD3 LYS 33 2HD LYS 33 3.320 12.396 2.809
228 HE2 LYS 33 1HE LYS 33 1.804 11.926 0.752
229 HE3 LYS 33 2HE LYS 33 0.481 12.229 1.877
230 HZ1 LYS 33 3HZ LYS 33 1.425 14.400 2.350
231 HZ2 LYS 33 1HZ LYS 33 1.123 14.235 0.693
232 HZ3 LYS 33 2HZ LYS 33 2.704 14.108 1.282
233 H ILE 34 H ILE 34 4.511 7.542 5.252
234 HA ILE 34 HA ILE 34 6.843 8.331 6.441
235 HB ILE 34 HB ILE 34 6.719 6.444 7.860
236 HG12 ILE 34 1HG1 ILE 34 4.995 5.064 5.794
237 HG13 ILE 34 2HG1 ILE 34 6.715 4.758 6.010
238 HG21 ILE 34 1HG2 ILE 34 4.787 7.123 8.716
239 HG22 ILE 34 2HG2 ILE 34 4.431 7.934 7.192
240 HG23 ILE 34 3HG2 ILE 34 3.891 6.276 7.455
241 HD11 ILE 34 3HD1 ILE 34 5.999 3.103 7.331
242 HD12 ILE 34 1HD1 ILE 34 5.811 4.384 8.529
243 HD13 ILE 34 2HD1 ILE 34 4.421 3.848 7.585
244 H HIS 35 H HIS 35 6.488 6.275 3.713
245 HA HIS 35 HA HIS 35 9.165 5.161 3.952
246 HB2 HIS 35 1HB HIS 35 7.085 4.840 1.778
247 HB3 HIS 35 2HB HIS 35 8.611 3.965 1.865
248 HD1 HIS 35 HD1 HIS 35 8.712 2.935 4.649
249 HD2 HIS 35 HD2 HIS 35 5.170 3.078 2.482
250 HE1 HIS 35 HE1 HIS 35 7.198 1.237 5.721
251 H THR 36 H THR 36 7.410 7.544 2.059
252 HA THR 36 HA THR 36 9.940 8.297 0.746
253 HB THR 36 HB THR 36 8.305 7.601 -0.899
254 HG1 THR 36 HG1 THR 36 9.488 9.295 -1.662
255 HG21 THR 36 3HG2 THR 36 6.505 9.668 0.367
256 HG22 THR 36 1HG2 THR 36 6.256 7.923 0.344
257 HG23 THR 36 2HG2 THR 36 6.173 8.846 -1.157
258 H GLY 37 H GLY 37 9.657 9.244 3.253
259 HA2 GLY 37 1HA GLY 37 8.977 12.081 2.796
260 HA3 GLY 37 2HA GLY 37 8.533 11.263 4.287
261 H GLU 38 H GLU 38 10.561 10.056 5.272
262 HA GLU 38 HA GLU 38 12.715 12.062 5.374
263 HB2 GLU 38 1HB GLU 38 11.732 10.135 7.484
264 HB3 GLU 38 2HB GLU 38 13.176 11.122 7.654
265 HG2 GLU 38 1HG GLU 38 10.498 12.339 7.089
266 HG3 GLU 38 2HG GLU 38 11.023 11.960 8.728
267 H ARG 39 H ARG 39 13.644 10.960 3.493
268 HA ARG 39 HA ARG 39 15.161 8.566 4.300
269 HB2 ARG 39 1HB ARG 39 13.941 9.230 1.621
270 HB3 ARG 39 2HB ARG 39 15.167 7.987 1.831
271 HG2 ARG 39 1HG ARG 39 12.557 7.992 3.322
272 HG3 ARG 39 2HG ARG 39 12.793 7.179 1.773
273 HD2 ARG 39 1HD ARG 39 14.288 5.638 2.672
274 HD3 ARG 39 2HD ARG 39 14.631 6.647 4.076
275 HE ARG 39 HE ARG 39 12.049 6.086 4.447
276 HH11 ARG 39 1HH1 ARG 39 14.738 4.042 3.604
277 HH12 ARG 39 2HH1 ARG 39 14.082 2.638 4.378
278 HH21 ARG 39 1HH2 ARG 39 11.174 4.245 5.470
279 HH22 ARG 39 2HH2 ARG 39 12.054 2.754 5.439
280 HA PRO 40 HA PRO 40 18.786 10.915 3.457
281 HB2 PRO 40 1HB PRO 40 20.529 8.881 3.019
282 HB3 PRO 40 2HB PRO 40 19.924 9.298 4.627
283 HG2 PRO 40 1HG PRO 40 19.023 7.133 2.766
284 HG3 PRO 40 2HG PRO 40 19.283 7.065 4.518
285 HD2 PRO 40 1HD PRO 40 16.821 7.318 3.420
286 HD3 PRO 40 2HD PRO 40 17.247 8.040 4.986
287 H SER 41 H SER 41 17.996 8.268 1.228
288 HA SER 41 HA SER 41 19.409 9.653 -0.929
289 HB2 SER 41 1HB SER 41 18.996 7.552 -2.214
290 HB3 SER 41 2HB SER 41 19.910 7.290 -0.729
291 HG SER 41 HG SER 41 18.125 6.426 0.222
292 H GLY 42 H GLY 42 17.993 11.352 -1.356
293 HA2 GLY 42 1HA GLY 42 15.640 10.569 -2.902
294 HA3 GLY 42 2HA GLY 42 15.372 11.628 -1.525
295 HA PRO 43 HA PRO 43 16.047 14.350 -5.177
296 HB2 PRO 43 1HB PRO 43 14.149 16.152 -4.456
297 HB3 PRO 43 2HB PRO 43 13.783 14.686 -5.374
298 HG2 PRO 43 1HG PRO 43 13.474 15.212 -2.444
299 HG3 PRO 43 2HG PRO 43 12.364 14.391 -3.556
300 HD2 PRO 43 1HD PRO 43 14.003 13.043 -1.874
301 HD3 PRO 43 2HD PRO 43 13.540 12.410 -3.468
302 H SER 44 H SER 44 18.070 15.054 -4.482
303 HA SER 44 HA SER 44 18.274 16.840 -2.206
304 HB2 SER 44 1HB SER 44 20.688 16.824 -2.688
305 HB3 SER 44 2HB SER 44 20.046 15.184 -2.603
306 HG SER 44 HG SER 44 20.074 16.407 -5.102
307 H SER 45 H SER 45 16.604 17.895 -4.130
308 HA SER 45 HA SER 45 16.256 19.667 -5.539
309 HB2 SER 45 1HB SER 45 18.267 20.757 -3.566
310 HB3 SER 45 2HB SER 45 17.437 21.771 -4.746
311 HG SER 45 HG SER 45 15.451 21.016 -3.814
312 H GLY 46 H GLY 46 18.027 17.828 -6.663
313 HA2 GLY 46 1HA GLY 46 19.094 19.217 -8.802
314 HA3 GLY 46 2HA GLY 46 20.400 19.070 -7.635
Start of MODEL 18
1 H1 GLY 1 H GLY 1 8.223 -32.164 6.049
2 HA2 GLY 1 1HA GLY 1 7.204 -30.083 5.428
3 HA3 GLY 1 2HA GLY 1 6.638 -31.263 4.255
4 H SER 2 H SER 2 5.516 -28.752 5.700
5 HA SER 2 HA SER 2 2.837 -29.880 6.028
6 HB2 SER 2 1HB SER 2 3.489 -29.782 8.301
7 HB3 SER 2 2HB SER 2 4.305 -28.233 8.085
8 HG SER 2 HG SER 2 1.557 -28.401 7.565
9 H SER 3 H SER 3 1.337 -28.705 5.021
10 HA SER 3 HA SER 3 1.833 -25.858 4.528
11 HB2 SER 3 1HB SER 3 0.960 -27.814 2.387
12 HB3 SER 3 2HB SER 3 1.157 -26.073 2.185
13 HG SER 3 HG SER 3 3.408 -26.472 2.860
14 H GLY 4 H GLY 4 0.016 -24.580 4.468
15 HA2 GLY 4 1HA GLY 4 -2.580 -25.145 3.973
16 HA3 GLY 4 2HA GLY 4 -2.370 -25.751 5.609
17 H SER 5 H SER 5 -1.854 -22.842 3.632
18 HA SER 5 HA SER 5 -1.914 -21.156 5.991
19 HB2 SER 5 1HB SER 5 -0.407 -20.738 3.995
20 HB3 SER 5 2HB SER 5 -1.853 -20.265 3.103
21 HG SER 5 HG SER 5 -0.519 -18.598 4.318
22 H SER 6 H SER 6 -3.791 -20.631 6.879
23 HA SER 6 HA SER 6 -6.097 -20.146 5.109
24 HB2 SER 6 1HB SER 6 -6.393 -22.147 6.528
25 HB3 SER 6 2HB SER 6 -6.142 -21.155 7.964
26 HG SER 6 HG SER 6 -8.208 -20.822 7.863
27 H GLY 7 H GLY 7 -4.275 -18.119 5.647
28 HA2 GLY 7 1HA GLY 7 -5.151 -16.524 7.870
29 HA3 GLY 7 2HA GLY 7 -4.047 -16.024 6.598
30 H THR 8 H THR 8 -5.555 -14.066 7.221
31 HA THR 8 HA THR 8 -8.161 -13.804 6.443
32 HB THR 8 HB THR 8 -5.972 -11.760 6.017
33 HG1 THR 8 HG1 THR 8 -6.192 -12.449 8.197
34 HG21 THR 8 3HG2 THR 8 -8.513 -10.623 6.639
35 HG22 THR 8 1HG2 THR 8 -8.703 -11.705 5.260
36 HG23 THR 8 2HG2 THR 8 -7.526 -10.393 5.196
37 H GLY 9 H GLY 9 -9.237 -14.065 4.600
38 HA2 GLY 9 1HA GLY 9 -7.787 -14.503 2.134
39 HA3 GLY 9 2HA GLY 9 -9.519 -14.674 2.373
40 H GLU 10 H GLU 10 -10.279 -12.216 3.247
41 HA GLU 10 HA GLU 10 -10.220 -10.704 0.824
42 HB2 GLU 10 1HB GLU 10 -11.643 -9.109 2.035
43 HB3 GLU 10 2HB GLU 10 -12.222 -10.759 2.214
44 HG2 GLU 10 1HG GLU 10 -11.099 -10.853 4.426
45 HG3 GLU 10 2HG GLU 10 -10.700 -9.145 4.245
46 H ASN 11 H ASN 11 -9.335 -8.670 0.446
47 HA ASN 11 HA ASN 11 -7.601 -7.484 2.456
48 HB2 ASN 11 1HB ASN 11 -6.614 -8.743 -0.082
49 HB3 ASN 11 2HB ASN 11 -5.773 -7.350 0.591
50 HD21 ASN 11 1HD2 ASN 11 -5.648 -10.554 0.430
51 HD22 ASN 11 2HD2 ASN 11 -4.904 -10.926 1.944
52 HA PRO 12 HA PRO 12 -9.693 -4.141 0.266
53 HB2 PRO 12 1HB PRO 12 -9.226 -2.292 2.199
54 HB3 PRO 12 2HB PRO 12 -10.531 -3.481 2.301
55 HG2 PRO 12 1HG PRO 12 -7.824 -3.526 3.578
56 HG3 PRO 12 2HG PRO 12 -9.397 -3.953 4.276
57 HD2 PRO 12 1HD PRO 12 -7.640 -5.815 3.394
58 HD3 PRO 12 2HD PRO 12 -9.398 -6.045 3.309
59 H PHE 13 H PHE 13 -6.665 -3.585 2.077
60 HA PHE 13 HA PHE 13 -5.294 -2.707 -0.283
61 HB2 PHE 13 1HB PHE 13 -5.809 -0.656 1.879
62 HB3 PHE 13 2HB PHE 13 -4.860 -0.419 0.416
63 HD1 PHE 13 HD2 PHE 13 -6.007 -0.438 -1.800
64 HD2 PHE 13 HD1 PHE 13 -8.148 -0.402 1.878
65 HE1 PHE 13 HE2 PHE 13 -8.024 0.321 -2.986
66 HE2 PHE 13 HE1 PHE 13 -10.170 0.357 0.697
67 HZ PHE 13 HZ PHE 13 -10.109 0.720 -1.738
68 H ILE 14 H ILE 14 -3.169 -3.080 -0.079
69 HA ILE 14 HA ILE 14 -2.031 -3.282 2.624
70 HB ILE 14 HB ILE 14 -1.632 -5.272 0.388
71 HG12 ILE 14 1HG1 ILE 14 -2.717 -5.689 3.179
72 HG13 ILE 14 2HG1 ILE 14 -3.732 -5.458 1.759
73 HG21 ILE 14 1HG2 ILE 14 0.469 -4.827 1.542
74 HG22 ILE 14 2HG2 ILE 14 -0.309 -5.136 3.094
75 HG23 ILE 14 3HG2 ILE 14 -0.130 -6.442 1.922
76 HD11 ILE 14 3HD1 ILE 14 -2.997 -7.491 0.800
77 HD12 ILE 14 1HD1 ILE 14 -1.710 -7.666 1.993
78 HD13 ILE 14 2HD1 ILE 14 -3.396 -7.830 2.483
79 H CYS 15 H CYS 15 -0.200 -2.178 2.862
80 HA CYS 15 HA CYS 15 0.879 -0.558 0.867
81 HB2 CYS 15 1HB CYS 15 1.137 -0.385 3.419
82 HB3 CYS 15 2HB CYS 15 2.466 -1.526 3.237
83 H SER 16 H SER 16 2.160 -0.967 -0.802
84 HA SER 16 HA SER 16 3.310 -3.603 -1.123
85 HB2 SER 16 1HB SER 16 2.164 -2.356 -2.988
86 HB3 SER 16 2HB SER 16 3.528 -1.239 -2.997
87 HG SER 16 HG SER 16 4.879 -3.051 -3.439
88 H GLU 17 H GLU 17 4.410 -1.940 0.971
89 HA GLU 17 HA GLU 17 7.194 -1.857 0.034
90 HB2 GLU 17 1HB GLU 17 5.754 0.241 1.653
91 HB3 GLU 17 2HB GLU 17 7.508 0.126 1.595
92 HG2 GLU 17 1HG GLU 17 7.043 0.166 -1.015
93 HG3 GLU 17 2HG GLU 17 5.591 1.010 -0.481
94 H CYS 18 H CYS 18 5.016 -1.949 2.830
95 HA CYS 18 HA CYS 18 7.076 -3.479 4.281
96 HB2 CYS 18 1HB CYS 18 5.933 -2.674 6.366
97 HB3 CYS 18 2HB CYS 18 6.709 -1.403 5.427
98 H GLY 19 H GLY 19 3.556 -3.053 3.932
99 HA2 GLY 19 1HA GLY 19 2.297 -5.096 3.327
100 HA3 GLY 19 2HA GLY 19 3.272 -5.935 4.525
101 H LYS 20 H LYS 20 1.634 -2.792 4.714
102 HA LYS 20 HA LYS 20 0.235 -3.772 7.106
103 HB2 LYS 20 1HB LYS 20 1.756 -1.759 7.278
104 HB3 LYS 20 2HB LYS 20 0.610 -0.898 6.260
105 HG2 LYS 20 1HG LYS 20 -0.979 -0.784 7.902
106 HG3 LYS 20 2HG LYS 20 -0.393 -2.233 8.722
107 HD2 LYS 20 1HD LYS 20 1.465 -1.060 9.639
108 HD3 LYS 20 2HD LYS 20 1.155 0.350 8.623
109 HE2 LYS 20 1HE LYS 20 0.317 0.966 10.712
110 HE3 LYS 20 2HE LYS 20 -1.114 0.464 9.813
111 HZ1 LYS 20 3HZ LYS 20 0.371 -1.189 11.785
112 HZ2 LYS 20 1HZ LYS 20 -0.980 -1.698 10.903
113 HZ3 LYS 20 2HZ LYS 20 -1.131 -0.452 12.036
114 H VAL 21 H VAL 21 -1.955 -3.719 7.260
115 HA VAL 21 HA VAL 21 -3.416 -3.140 4.792
116 HB VAL 21 HB VAL 21 -4.329 -4.576 7.290
117 HG11 VAL 21 1HG1 VAL 21 -6.066 -3.357 5.852
118 HG12 VAL 21 2HG1 VAL 21 -5.720 -4.584 4.631
119 HG13 VAL 21 3HG1 VAL 21 -6.344 -5.061 6.210
120 HG21 VAL 21 3HG2 VAL 21 -2.545 -5.548 5.565
121 HG22 VAL 21 1HG2 VAL 21 -3.775 -6.558 6.325
122 HG23 VAL 21 2HG2 VAL 21 -4.017 -5.957 4.685
123 H PHE 22 H PHE 22 -4.902 -1.558 4.610
124 HA PHE 22 HA PHE 22 -5.543 -0.000 7.027
125 HB2 PHE 22 1HB PHE 22 -5.151 1.124 4.246
126 HB3 PHE 22 2HB PHE 22 -5.473 2.039 5.715
127 HD1 PHE 22 HD2 PHE 22 -2.998 -0.339 4.272
128 HD2 PHE 22 HD1 PHE 22 -3.708 2.938 6.894
129 HE1 PHE 22 HE2 PHE 22 -0.578 -0.136 4.668
130 HE2 PHE 22 HE1 PHE 22 -1.289 3.147 7.293
131 HZ PHE 22 HZ PHE 22 0.279 1.608 6.181
132 H THR 23 H THR 23 -7.636 0.561 7.333
133 HA THR 23 HA THR 23 -9.675 -0.864 6.073
134 HB THR 23 HB THR 23 -11.179 0.994 7.097
135 HG1 THR 23 HG1 THR 23 -10.131 2.604 7.966
136 HG21 THR 23 3HG2 THR 23 -9.622 -1.150 8.330
137 HG22 THR 23 1HG2 THR 23 -11.339 -0.776 8.468
138 HG23 THR 23 2HG2 THR 23 -10.168 0.073 9.477
139 H HIS 24 H HIS 24 -8.837 2.585 5.715
140 HA HIS 24 HA HIS 24 -10.178 2.532 3.091
141 HB2 HIS 24 1HB HIS 24 -10.309 5.137 3.653
142 HB3 HIS 24 2HB HIS 24 -11.560 4.007 4.162
143 HD1 HIS 24 HD1 HIS 24 -8.472 5.714 5.550
144 HD2 HIS 24 HD2 HIS 24 -11.990 3.928 6.851
145 HE1 HIS 24 HE1 HIS 24 -8.566 6.139 8.027
146 H LYS 25 H LYS 25 -8.977 3.079 1.386
147 HA LYS 25 HA LYS 25 -6.317 3.181 1.220
148 HB2 LYS 25 1HB LYS 25 -8.138 3.490 -0.624
149 HB3 LYS 25 2HB LYS 25 -7.831 5.207 -0.393
150 HG2 LYS 25 1HG LYS 25 -6.459 4.590 -2.176
151 HG3 LYS 25 2HG LYS 25 -5.376 4.652 -0.783
152 HD2 LYS 25 1HD LYS 25 -5.270 2.314 -0.622
153 HD3 LYS 25 2HD LYS 25 -6.694 2.093 -1.641
154 HE2 LYS 25 1HE LYS 25 -4.178 3.359 -2.684
155 HE3 LYS 25 2HE LYS 25 -4.400 1.610 -2.672
156 HZ1 LYS 25 3HZ LYS 25 -5.863 3.649 -4.214
157 HZ2 LYS 25 1HZ LYS 25 -6.594 2.162 -3.871
158 HZ3 LYS 25 2HZ LYS 25 -5.151 2.211 -4.752
159 H THR 26 H THR 26 -8.279 6.127 1.652
160 HA THR 26 HA THR 26 -6.517 8.116 1.755
161 HB THR 26 HB THR 26 -8.487 7.704 4.010
162 HG1 THR 26 HG1 THR 26 -10.012 8.581 2.639
163 HG21 THR 26 3HG2 THR 26 -6.649 9.721 3.615
164 HG22 THR 26 1HG2 THR 26 -8.114 9.837 4.590
165 HG23 THR 26 2HG2 THR 26 -8.125 10.382 2.913
166 H ASN 27 H ASN 27 -7.016 5.889 4.489
167 HA ASN 27 HA ASN 27 -5.034 6.993 6.151
168 HB2 ASN 27 1HB ASN 27 -6.943 5.224 6.614
169 HB3 ASN 27 2HB ASN 27 -5.655 4.072 6.273
170 HD21 ASN 27 1HD2 ASN 27 -6.209 7.032 8.149
171 HD22 ASN 27 2HD2 ASN 27 -5.342 6.509 9.549
172 H LEU 28 H LEU 28 -4.927 4.322 3.823
173 HA LEU 28 HA LEU 28 -2.284 3.518 4.318
174 HB2 LEU 28 1HB LEU 28 -3.522 2.002 3.091
175 HB3 LEU 28 2HB LEU 28 -4.168 3.243 2.020
176 HG LEU 28 HG LEU 28 -1.740 3.411 1.138
177 HD11 LEU 28 1HD1 LEU 28 -1.695 0.735 2.519
178 HD12 LEU 28 2HD1 LEU 28 -0.619 2.104 2.796
179 HD13 LEU 28 3HD1 LEU 28 -0.552 1.226 1.268
180 HD21 LEU 28 3HD2 LEU 28 -3.273 2.653 -0.400
181 HD22 LEU 28 1HD2 LEU 28 -3.761 1.283 0.598
182 HD23 LEU 28 2HD2 LEU 28 -2.216 1.248 -0.252
183 H ILE 29 H ILE 29 -3.602 5.773 1.906
184 HA ILE 29 HA ILE 29 -1.240 6.426 0.603
185 HB ILE 29 HB ILE 29 -3.579 8.250 1.171
186 HG12 ILE 29 1HG1 ILE 29 -3.058 6.726 -1.372
187 HG13 ILE 29 2HG1 ILE 29 -3.953 6.000 -0.041
188 HG21 ILE 29 1HG2 ILE 29 -1.665 9.538 0.485
189 HG22 ILE 29 2HG2 ILE 29 -1.365 8.443 -0.864
190 HG23 ILE 29 3HG2 ILE 29 -2.810 9.454 -0.854
191 HD11 ILE 29 3HD1 ILE 29 -5.800 7.144 -0.522
192 HD12 ILE 29 1HD1 ILE 29 -4.916 8.649 -0.772
193 HD13 ILE 29 2HD1 ILE 29 -5.029 7.466 -2.075
194 H ILE 30 H ILE 30 -2.589 7.705 3.599
195 HA ILE 30 HA ILE 30 -0.683 9.791 3.913
196 HB ILE 30 HB ILE 30 -2.376 8.423 6.007
197 HG12 ILE 30 1HG1 ILE 30 -2.907 11.106 4.756
198 HG13 ILE 30 2HG1 ILE 30 -3.484 9.626 3.998
199 HG21 ILE 30 1HG2 ILE 30 -1.935 10.297 7.423
200 HG22 ILE 30 2HG2 ILE 30 -0.388 9.660 6.869
201 HG23 ILE 30 3HG2 ILE 30 -1.050 11.124 6.141
202 HD11 ILE 30 3HD1 ILE 30 -4.324 9.318 6.575
203 HD12 ILE 30 1HD1 ILE 30 -4.486 11.056 6.328
204 HD13 ILE 30 2HD1 ILE 30 -5.303 9.931 5.243
205 H HIS 31 H HIS 31 -0.791 6.416 4.845
206 HA HIS 31 HA HIS 31 1.440 6.533 6.624
207 HB2 HIS 31 1HB HIS 31 0.125 4.691 7.077
208 HB3 HIS 31 2HB HIS 31 -0.187 4.362 5.375
209 HD1 HIS 31 HD1 HIS 31 2.306 3.733 8.093
210 HD2 HIS 31 HD2 HIS 31 1.681 2.710 4.116
211 HE1 HIS 31 HE1 HIS 31 3.942 1.885 7.609
212 H GLN 32 H GLN 32 1.087 5.047 3.397
213 HA GLN 32 HA GLN 32 3.618 4.302 2.847
214 HB2 GLN 32 1HB GLN 32 1.747 5.749 0.966
215 HB3 GLN 32 2HB GLN 32 3.178 4.863 0.460
216 HG2 GLN 32 1HG GLN 32 2.251 2.806 0.989
217 HG3 GLN 32 2HG GLN 32 1.048 3.516 2.065
218 HE21 GLN 32 1HE2 GLN 32 0.956 1.739 -0.391
219 HE22 GLN 32 2HE2 GLN 32 -0.225 2.490 -1.404
220 H LYS 33 H LYS 33 2.506 7.551 3.241
221 HA LYS 33 HA LYS 33 4.388 9.038 1.882
222 HB2 LYS 33 1HB LYS 33 3.151 9.579 4.586
223 HB3 LYS 33 2HB LYS 33 4.046 10.769 3.651
224 HG2 LYS 33 1HG LYS 33 2.281 10.088 1.796
225 HG3 LYS 33 2HG LYS 33 1.331 9.664 3.222
226 HD2 LYS 33 1HD LYS 33 1.429 11.876 4.058
227 HD3 LYS 33 2HD LYS 33 2.690 12.332 2.911
228 HE2 LYS 33 1HE LYS 33 -0.051 11.459 2.036
229 HE3 LYS 33 2HE LYS 33 0.327 13.139 2.416
230 HZ1 LYS 33 3HZ LYS 33 2.307 12.574 0.749
231 HZ2 LYS 33 1HZ LYS 33 0.818 13.186 0.231
232 HZ3 LYS 33 2HZ LYS 33 1.130 11.527 0.133
233 H ILE 34 H ILE 34 4.657 7.584 5.104
234 HA ILE 34 HA ILE 34 7.094 8.611 5.897
235 HB ILE 34 HB ILE 34 7.326 6.747 7.372
236 HG12 ILE 34 1HG1 ILE 34 5.158 5.289 5.863
237 HG13 ILE 34 2HG1 ILE 34 6.868 5.045 5.526
238 HG21 ILE 34 1HG2 ILE 34 4.599 6.504 7.793
239 HG22 ILE 34 2HG2 ILE 34 5.664 7.729 8.481
240 HG23 ILE 34 3HG2 ILE 34 4.777 8.067 6.995
241 HD11 ILE 34 3HD1 ILE 34 5.330 3.695 7.383
242 HD12 ILE 34 1HD1 ILE 34 7.088 3.674 7.251
243 HD13 ILE 34 2HD1 ILE 34 6.299 4.809 8.346
244 H HIS 35 H HIS 35 6.409 6.103 3.564
245 HA HIS 35 HA HIS 35 9.062 5.084 3.384
246 HB2 HIS 35 1HB HIS 35 6.725 4.937 1.472
247 HB3 HIS 35 2HB HIS 35 8.244 4.078 1.235
248 HD1 HIS 35 HD1 HIS 35 8.732 2.961 4.023
249 HD2 HIS 35 HD2 HIS 35 5.014 2.951 2.167
250 HE1 HIS 35 HE1 HIS 35 7.429 1.122 5.137
251 H THR 36 H THR 36 7.265 7.593 1.690
252 HA THR 36 HA THR 36 9.578 8.159 -0.011
253 HB THR 36 HB THR 36 7.373 8.061 -1.102
254 HG1 THR 36 HG1 THR 36 7.705 9.903 -2.298
255 HG21 THR 36 3HG2 THR 36 6.135 8.958 0.920
256 HG22 THR 36 1HG2 THR 36 5.634 9.606 -0.641
257 HG23 THR 36 2HG2 THR 36 6.668 10.563 0.420
258 H GLY 37 H GLY 37 10.943 9.776 0.399
259 HA2 GLY 37 1HA GLY 37 10.898 12.260 0.996
260 HA3 GLY 37 2HA GLY 37 10.192 11.701 2.505
261 H GLU 38 H GLU 38 11.484 10.570 3.997
262 HA GLU 38 HA GLU 38 14.360 11.034 3.616
263 HB2 GLU 38 1HB GLU 38 12.763 10.633 6.152
264 HB3 GLU 38 2HB GLU 38 14.504 10.872 6.087
265 HG2 GLU 38 1HG GLU 38 13.480 12.942 6.668
266 HG3 GLU 38 2HG GLU 38 14.109 13.078 5.027
267 H ARG 39 H ARG 39 12.064 8.630 4.869
268 HA ARG 39 HA ARG 39 13.875 6.601 5.454
269 HB2 ARG 39 1HB ARG 39 11.013 6.430 4.501
270 HB3 ARG 39 2HB ARG 39 11.928 5.055 5.104
271 HG2 ARG 39 1HG ARG 39 11.443 7.551 6.709
272 HG3 ARG 39 2HG ARG 39 10.390 6.135 6.757
273 HD2 ARG 39 1HD ARG 39 12.679 4.894 7.207
274 HD3 ARG 39 2HD ARG 39 13.158 6.489 7.786
275 HE ARG 39 HE ARG 39 11.939 6.078 9.660
276 HH11 ARG 39 1HH1 ARG 39 10.649 4.139 7.073
277 HH12 ARG 39 2HH1 ARG 39 9.474 3.352 8.074
278 HH21 ARG 39 1HH2 ARG 39 10.396 5.048 10.988
279 HH22 ARG 39 2HH2 ARG 39 9.331 3.871 10.301
280 HA PRO 40 HA PRO 40 15.376 5.232 1.552
281 HB2 PRO 40 1HB PRO 40 16.034 2.679 2.202
282 HB3 PRO 40 2HB PRO 40 16.972 4.079 2.736
283 HG2 PRO 40 1HG PRO 40 14.911 2.498 4.226
284 HG3 PRO 40 2HG PRO 40 16.475 3.114 4.793
285 HD2 PRO 40 1HD PRO 40 14.131 4.349 5.355
286 HD3 PRO 40 2HD PRO 40 15.652 5.239 5.142
287 H SER 41 H SER 41 14.426 4.504 -0.249
288 HA SER 41 HA SER 41 12.158 2.644 0.035
289 HB2 SER 41 1HB SER 41 12.636 4.941 -1.850
290 HB3 SER 41 2HB SER 41 11.489 3.662 -2.250
291 HG SER 41 HG SER 41 11.360 5.624 -0.271
292 H GLY 42 H GLY 42 11.988 0.895 -1.338
293 HA2 GLY 42 1HA GLY 42 14.413 -0.191 -2.327
294 HA3 GLY 42 2HA GLY 42 12.807 -0.862 -2.572
295 HA PRO 43 HA PRO 43 14.624 1.436 -6.405
296 HB2 PRO 43 1HB PRO 43 16.075 -0.533 -7.584
297 HB3 PRO 43 2HB PRO 43 16.776 0.632 -6.455
298 HG2 PRO 43 1HG PRO 43 15.877 -2.180 -5.960
299 HG3 PRO 43 2HG PRO 43 17.339 -1.356 -5.388
300 HD2 PRO 43 1HD PRO 43 15.157 -1.703 -3.823
301 HD3 PRO 43 2HD PRO 43 16.222 -0.290 -3.677
302 H SER 44 H SER 44 13.947 -2.065 -6.249
303 HA SER 44 HA SER 44 12.336 -1.864 -8.673
304 HB2 SER 44 1HB SER 44 13.552 -4.109 -7.121
305 HB3 SER 44 2HB SER 44 12.138 -4.449 -8.118
306 HG SER 44 HG SER 44 13.504 -4.539 -9.703
307 H SER 45 H SER 45 10.240 -1.464 -8.546
308 HA SER 45 HA SER 45 8.827 -1.626 -6.050
309 HB2 SER 45 1HB SER 45 7.826 -0.986 -8.836
310 HB3 SER 45 2HB SER 45 6.903 -0.777 -7.348
311 HG SER 45 HG SER 45 8.277 1.051 -8.372
312 H GLY 46 H GLY 46 8.814 -3.817 -5.498
313 HA2 GLY 46 1HA GLY 46 7.082 -5.553 -5.417
314 HA3 GLY 46 2HA GLY 46 7.026 -5.469 -7.172
Start of MODEL 19
1 H1 GLY 1 H GLY 1 14.041 -19.309 -11.362
2 HA2 GLY 1 1HA GLY 1 12.165 -21.376 -11.883
3 HA3 GLY 1 2HA GLY 1 13.317 -21.895 -10.662
4 H SER 2 H SER 2 10.659 -19.789 -11.393
5 HA SER 2 HA SER 2 10.698 -18.261 -9.009
6 HB2 SER 2 1HB SER 2 8.548 -17.477 -9.649
7 HB3 SER 2 2HB SER 2 9.422 -17.746 -11.157
8 HG SER 2 HG SER 2 7.684 -18.863 -11.610
9 H SER 3 H SER 3 8.979 -18.358 -7.331
10 HA SER 3 HA SER 3 7.698 -20.880 -6.830
11 HB2 SER 3 1HB SER 3 8.879 -21.293 -4.670
12 HB3 SER 3 2HB SER 3 9.922 -21.485 -6.079
13 HG SER 3 HG SER 3 10.170 -18.994 -5.442
14 H GLY 4 H GLY 4 6.420 -20.846 -4.824
15 HA2 GLY 4 1HA GLY 4 5.420 -19.678 -3.010
16 HA3 GLY 4 2HA GLY 4 5.997 -18.168 -3.701
17 H SER 5 H SER 5 5.083 -18.511 -6.336
18 HA SER 5 HA SER 5 3.223 -17.694 -7.439
19 HB2 SER 5 1HB SER 5 2.432 -20.405 -6.374
20 HB3 SER 5 2HB SER 5 1.422 -19.506 -7.506
21 HG SER 5 HG SER 5 3.023 -19.630 -9.026
22 H SER 6 H SER 6 3.351 -16.481 -4.942
23 HA SER 6 HA SER 6 0.812 -16.694 -3.607
24 HB2 SER 6 1HB SER 6 1.651 -14.716 -2.305
25 HB3 SER 6 2HB SER 6 2.731 -16.109 -2.272
26 HG SER 6 HG SER 6 3.142 -14.258 -4.302
27 H GLY 7 H GLY 7 -0.719 -14.947 -3.395
28 HA2 GLY 7 1HA GLY 7 -0.791 -12.565 -4.748
29 HA3 GLY 7 2HA GLY 7 -1.328 -13.751 -5.928
30 H THR 8 H THR 8 -1.930 -12.991 -2.495
31 HA THR 8 HA THR 8 -4.719 -13.761 -2.826
32 HB THR 8 HB THR 8 -3.595 -14.552 -0.820
33 HG1 THR 8 HG1 THR 8 -5.897 -13.483 -0.874
34 HG21 THR 8 3HG2 THR 8 -3.148 -11.622 -0.259
35 HG22 THR 8 1HG2 THR 8 -1.922 -12.868 -0.487
36 HG23 THR 8 2HG2 THR 8 -2.951 -12.894 0.945
37 H GLY 9 H GLY 9 -6.432 -12.387 -2.779
38 HA2 GLY 9 1HA GLY 9 -5.828 -9.514 -2.445
39 HA3 GLY 9 2HA GLY 9 -6.863 -10.103 -3.737
40 H GLU 10 H GLU 10 -6.614 -10.546 -0.204
41 HA GLU 10 HA GLU 10 -9.535 -10.433 -0.050
42 HB2 GLU 10 1HB GLU 10 -7.386 -11.467 1.765
43 HB3 GLU 10 2HB GLU 10 -8.967 -11.069 2.422
44 HG2 GLU 10 1HG GLU 10 -8.423 -13.038 0.212
45 HG3 GLU 10 2HG GLU 10 -8.787 -13.436 1.890
46 H ASN 11 H ASN 11 -6.757 -9.139 1.780
47 HA ASN 11 HA ASN 11 -8.069 -7.281 3.318
48 HB2 ASN 11 1HB ASN 11 -5.338 -7.021 2.039
49 HB3 ASN 11 2HB ASN 11 -5.929 -6.018 3.361
50 HD21 ASN 11 1HD2 ASN 11 -3.631 -7.407 3.670
51 HD22 ASN 11 2HD2 ASN 11 -3.861 -8.708 4.783
52 HA PRO 12 HA PRO 12 -9.613 -4.128 0.681
53 HB2 PRO 12 1HB PRO 12 -9.369 -1.951 2.284
54 HB3 PRO 12 2HB PRO 12 -10.580 -3.210 2.551
55 HG2 PRO 12 1HG PRO 12 -7.931 -2.816 3.889
56 HG3 PRO 12 2HG PRO 12 -9.494 -3.251 4.607
57 HD2 PRO 12 1HD PRO 12 -7.564 -5.081 4.100
58 HD3 PRO 12 2HD PRO 12 -9.294 -5.468 4.009
59 H PHE 13 H PHE 13 -6.699 -3.053 2.444
60 HA PHE 13 HA PHE 13 -5.445 -2.309 -0.066
61 HB2 PHE 13 1HB PHE 13 -5.782 -0.256 2.128
62 HB3 PHE 13 2HB PHE 13 -5.002 -0.018 0.568
63 HD1 PHE 13 HD2 PHE 13 -6.336 0.115 -1.480
64 HD2 PHE 13 HD1 PHE 13 -8.158 -0.205 2.353
65 HE1 PHE 13 HE2 PHE 13 -8.480 0.845 -2.442
66 HE2 PHE 13 HE1 PHE 13 -10.305 0.524 1.397
67 HZ PHE 13 HZ PHE 13 -10.468 1.051 -1.003
68 H ILE 14 H ILE 14 -3.383 -2.898 -0.010
69 HA ILE 14 HA ILE 14 -2.044 -3.068 2.610
70 HB ILE 14 HB ILE 14 -1.550 -4.895 0.258
71 HG12 ILE 14 1HG1 ILE 14 -2.831 -5.727 2.846
72 HG13 ILE 14 2HG1 ILE 14 -3.808 -5.068 1.538
73 HG21 ILE 14 1HG2 ILE 14 -0.688 -5.810 2.864
74 HG22 ILE 14 2HG2 ILE 14 0.221 -5.671 1.360
75 HG23 ILE 14 3HG2 ILE 14 0.064 -4.276 2.427
76 HD11 ILE 14 3HD1 ILE 14 -3.500 -6.892 0.206
77 HD12 ILE 14 1HD1 ILE 14 -1.943 -7.296 0.929
78 HD13 ILE 14 2HD1 ILE 14 -3.437 -7.647 1.799
79 H CYS 15 H CYS 15 0.076 -2.402 2.742
80 HA CYS 15 HA CYS 15 0.940 -0.562 0.700
81 HB2 CYS 15 1HB CYS 15 1.202 -0.085 3.126
82 HB3 CYS 15 2HB CYS 15 2.356 -1.409 3.235
83 H SER 16 H SER 16 2.464 -0.860 -0.813
84 HA SER 16 HA SER 16 3.436 -3.508 -1.305
85 HB2 SER 16 1HB SER 16 3.714 -0.859 -2.689
86 HB3 SER 16 2HB SER 16 4.736 -2.214 -3.167
87 HG SER 16 HG SER 16 1.899 -2.129 -3.156
88 H GLU 17 H GLU 17 4.581 -0.822 0.449
89 HA GLU 17 HA GLU 17 7.384 -1.389 0.187
90 HB2 GLU 17 1HB GLU 17 5.875 0.339 2.156
91 HB3 GLU 17 2HB GLU 17 7.628 0.256 2.040
92 HG2 GLU 17 1HG GLU 17 5.976 0.983 -0.342
93 HG3 GLU 17 2HG GLU 17 6.382 2.186 0.880
94 H CYS 18 H CYS 18 5.305 -1.417 3.085
95 HA CYS 18 HA CYS 18 6.996 -3.537 4.197
96 HB2 CYS 18 1HB CYS 18 5.750 -2.980 6.336
97 HB3 CYS 18 2HB CYS 18 6.785 -1.707 5.698
98 H GLY 19 H GLY 19 3.537 -2.715 3.896
99 HA2 GLY 19 1HA GLY 19 2.089 -4.448 2.904
100 HA3 GLY 19 2HA GLY 19 2.979 -5.617 3.869
101 H LYS 20 H LYS 20 1.652 -2.455 4.782
102 HA LYS 20 HA LYS 20 0.277 -3.754 7.015
103 HB2 LYS 20 1HB LYS 20 1.813 -1.694 7.249
104 HB3 LYS 20 2HB LYS 20 0.472 -0.785 6.564
105 HG2 LYS 20 1HG LYS 20 -0.847 -1.064 8.417
106 HG3 LYS 20 2HG LYS 20 -0.036 -2.555 8.904
107 HD2 LYS 20 1HD LYS 20 1.944 -1.259 9.547
108 HD3 LYS 20 2HD LYS 20 1.122 0.229 9.069
109 HE2 LYS 20 1HE LYS 20 0.913 0.044 11.429
110 HE3 LYS 20 2HE LYS 20 -0.664 -0.340 10.740
111 HZ1 LYS 20 3HZ LYS 20 -0.026 -2.725 10.936
112 HZ2 LYS 20 1HZ LYS 20 -0.201 -1.928 12.418
113 HZ3 LYS 20 2HZ LYS 20 1.343 -2.245 11.805
114 H VAL 21 H VAL 21 -1.871 -3.969 7.111
115 HA VAL 21 HA VAL 21 -3.461 -3.132 4.844
116 HB VAL 21 HB VAL 21 -4.256 -4.657 7.328
117 HG11 VAL 21 1HG1 VAL 21 -6.134 -5.326 5.572
118 HG12 VAL 21 2HG1 VAL 21 -6.296 -3.923 6.631
119 HG13 VAL 21 3HG1 VAL 21 -5.772 -3.712 4.960
120 HG21 VAL 21 3HG2 VAL 21 -2.577 -5.715 5.743
121 HG22 VAL 21 1HG2 VAL 21 -4.047 -6.636 6.064
122 HG23 VAL 21 2HG2 VAL 21 -3.876 -5.747 4.551
123 H PHE 22 H PHE 22 -4.806 -1.444 4.761
124 HA PHE 22 HA PHE 22 -5.384 -0.011 7.270
125 HB2 PHE 22 1HB PHE 22 -4.881 1.148 4.521
126 HB3 PHE 22 2HB PHE 22 -5.411 2.079 5.918
127 HD1 PHE 22 HD2 PHE 22 -2.624 0.239 4.411
128 HD2 PHE 22 HD1 PHE 22 -3.895 2.636 7.691
129 HE1 PHE 22 HE2 PHE 22 -0.278 0.565 5.077
130 HE2 PHE 22 HE1 PHE 22 -1.550 2.967 8.361
131 HZ PHE 22 HZ PHE 22 0.261 1.930 7.055
132 H THR 23 H THR 23 -7.422 0.979 7.464
133 HA THR 23 HA THR 23 -9.611 -0.449 6.618
134 HB THR 23 HB THR 23 -9.528 2.493 7.314
135 HG1 THR 23 HG1 THR 23 -10.426 0.491 9.062
136 HG21 THR 23 3HG2 THR 23 -11.674 2.479 6.664
137 HG22 THR 23 1HG2 THR 23 -11.973 1.499 8.098
138 HG23 THR 23 2HG2 THR 23 -11.713 0.721 6.537
139 H HIS 24 H HIS 24 -8.736 2.771 5.345
140 HA HIS 24 HA HIS 24 -9.818 1.929 2.739
141 HB2 HIS 24 1HB HIS 24 -10.316 4.550 2.616
142 HB3 HIS 24 2HB HIS 24 -11.480 3.404 3.275
143 HD1 HIS 24 HD1 HIS 24 -12.553 5.067 4.881
144 HD2 HIS 24 HD2 HIS 24 -8.457 4.646 5.434
145 HE1 HIS 24 HE1 HIS 24 -12.044 6.233 7.050
146 H LYS 25 H LYS 25 -8.978 3.185 0.902
147 HA LYS 25 HA LYS 25 -6.228 3.184 0.748
148 HB2 LYS 25 1HB LYS 25 -6.445 4.358 -1.334
149 HB3 LYS 25 2HB LYS 25 -7.816 3.267 -1.182
150 HG2 LYS 25 1HG LYS 25 -8.960 5.414 -0.156
151 HG3 LYS 25 2HG LYS 25 -7.729 6.233 -1.120
152 HD2 LYS 25 1HD LYS 25 -8.601 5.481 -3.116
153 HD3 LYS 25 2HD LYS 25 -9.360 4.071 -2.373
154 HE2 LYS 25 1HE LYS 25 -11.205 5.244 -1.709
155 HE3 LYS 25 2HE LYS 25 -10.319 6.760 -1.554
156 HZ1 LYS 25 3HZ LYS 25 -10.183 6.257 -4.202
157 HZ2 LYS 25 1HZ LYS 25 -11.310 7.283 -3.467
158 HZ3 LYS 25 2HZ LYS 25 -11.727 5.683 -3.820
159 H THR 26 H THR 26 -8.360 5.724 1.851
160 HA THR 26 HA THR 26 -6.632 7.910 1.744
161 HB THR 26 HB THR 26 -8.893 7.257 3.627
162 HG1 THR 26 HG1 THR 26 -8.920 8.025 1.197
163 HG21 THR 26 3HG2 THR 26 -6.837 9.239 3.972
164 HG22 THR 26 1HG2 THR 26 -8.200 8.854 5.021
165 HG23 THR 26 2HG2 THR 26 -8.397 10.018 3.711
166 H ASN 27 H ASN 27 -7.022 5.425 4.232
167 HA ASN 27 HA ASN 27 -5.195 6.606 6.069
168 HB2 ASN 27 1HB ASN 27 -6.615 3.997 5.837
169 HB3 ASN 27 2HB ASN 27 -5.203 4.067 6.888
170 HD21 ASN 27 1HD2 ASN 27 -5.371 6.548 7.956
171 HD22 ASN 27 2HD2 ASN 27 -6.805 6.692 8.909
172 H LEU 28 H LEU 28 -4.923 4.093 3.596
173 HA LEU 28 HA LEU 28 -2.287 3.302 4.163
174 HB2 LEU 28 1HB LEU 28 -3.417 1.842 2.783
175 HB3 LEU 28 2HB LEU 28 -4.072 3.135 1.780
176 HG LEU 28 HG LEU 28 -1.635 3.444 0.984
177 HD11 LEU 28 1HD1 LEU 28 -0.216 2.167 2.177
178 HD12 LEU 28 2HD1 LEU 28 -0.697 0.920 1.026
179 HD13 LEU 28 3HD1 LEU 28 -1.462 0.997 2.613
180 HD21 LEU 28 3HD2 LEU 28 -1.940 1.657 -0.707
181 HD22 LEU 28 1HD2 LEU 28 -3.379 2.649 -0.470
182 HD23 LEU 28 2HD2 LEU 28 -3.293 1.037 0.241
183 H ILE 29 H ILE 29 -3.553 5.709 1.878
184 HA ILE 29 HA ILE 29 -1.148 6.486 0.719
185 HB ILE 29 HB ILE 29 -3.582 8.180 1.289
186 HG12 ILE 29 1HG1 ILE 29 -2.879 7.103 -1.404
187 HG13 ILE 29 2HG1 ILE 29 -3.583 6.000 -0.226
188 HG21 ILE 29 1HG2 ILE 29 -1.710 9.625 0.882
189 HG22 ILE 29 2HG2 ILE 29 -1.226 8.675 -0.522
190 HG23 ILE 29 3HG2 ILE 29 -2.725 9.603 -0.560
191 HD11 ILE 29 3HD1 ILE 29 -5.555 6.711 -0.943
192 HD12 ILE 29 1HD1 ILE 29 -5.213 8.222 -0.102
193 HD13 ILE 29 2HD1 ILE 29 -4.835 8.062 -1.817
194 H ILE 30 H ILE 30 -2.693 7.603 3.696
195 HA ILE 30 HA ILE 30 -0.905 9.704 4.260
196 HB ILE 30 HB ILE 30 -2.559 8.026 6.147
197 HG12 ILE 30 1HG1 ILE 30 -3.088 10.836 5.187
198 HG13 ILE 30 2HG1 ILE 30 -3.705 9.421 4.339
199 HG21 ILE 30 1HG2 ILE 30 -2.243 9.842 7.763
200 HG22 ILE 30 2HG2 ILE 30 -0.715 9.072 7.336
201 HG23 ILE 30 3HG2 ILE 30 -1.137 10.638 6.643
202 HD11 ILE 30 3HD1 ILE 30 -4.585 10.659 6.847
203 HD12 ILE 30 1HD1 ILE 30 -5.495 9.747 5.643
204 HD13 ILE 30 2HD1 ILE 30 -4.533 8.896 6.853
205 H HIS 31 H HIS 31 -0.795 6.259 4.925
206 HA HIS 31 HA HIS 31 1.480 6.423 6.665
207 HB2 HIS 31 1HB HIS 31 0.318 4.508 7.149
208 HB3 HIS 31 2HB HIS 31 -0.160 4.246 5.474
209 HD1 HIS 31 HD1 HIS 31 2.580 3.525 7.908
210 HD2 HIS 31 HD2 HIS 31 1.630 2.731 3.942
211 HE1 HIS 31 HE1 HIS 31 4.200 1.749 7.171
212 H GLN 32 H GLN 32 1.036 5.050 3.400
213 HA GLN 32 HA GLN 32 3.494 4.329 2.667
214 HB2 GLN 32 1HB GLN 32 1.619 6.044 1.033
215 HB3 GLN 32 2HB GLN 32 3.019 5.209 0.371
216 HG2 GLN 32 1HG GLN 32 2.058 3.066 1.032
217 HG3 GLN 32 2HG GLN 32 0.656 3.900 1.699
218 HE21 GLN 32 1HE2 GLN 32 2.181 2.698 -1.118
219 HE22 GLN 32 2HE2 GLN 32 0.941 3.121 -2.245
220 H LYS 33 H LYS 33 2.493 7.621 3.257
221 HA LYS 33 HA LYS 33 4.453 9.115 2.070
222 HB2 LYS 33 1HB LYS 33 3.367 9.524 4.862
223 HB3 LYS 33 2HB LYS 33 4.151 10.749 3.873
224 HG2 LYS 33 1HG LYS 33 2.231 10.108 2.180
225 HG3 LYS 33 2HG LYS 33 1.425 9.595 3.664
226 HD2 LYS 33 1HD LYS 33 0.752 11.774 3.617
227 HD3 LYS 33 2HD LYS 33 2.269 11.968 4.497
228 HE2 LYS 33 1HE LYS 33 2.352 12.092 1.530
229 HE3 LYS 33 2HE LYS 33 1.655 13.463 2.392
230 HZ1 LYS 33 3HZ LYS 33 4.099 12.624 3.583
231 HZ2 LYS 33 1HZ LYS 33 3.664 14.147 2.989
232 HZ3 LYS 33 2HZ LYS 33 4.322 12.989 1.947
233 H ILE 34 H ILE 34 4.661 7.496 5.228
234 HA ILE 34 HA ILE 34 7.194 8.316 5.980
235 HB ILE 34 HB ILE 34 7.309 6.384 7.411
236 HG12 ILE 34 1HG1 ILE 34 4.845 5.198 6.190
237 HG13 ILE 34 2HG1 ILE 34 6.409 4.883 5.446
238 HG21 ILE 34 1HG2 ILE 34 5.868 7.825 8.435
239 HG22 ILE 34 2HG2 ILE 34 4.711 7.788 7.107
240 HG23 ILE 34 3HG2 ILE 34 4.797 6.438 8.238
241 HD11 ILE 34 3HD1 ILE 34 6.364 4.470 8.336
242 HD12 ILE 34 1HD1 ILE 34 5.286 3.407 7.431
243 HD13 ILE 34 2HD1 ILE 34 7.007 3.452 7.048
244 H HIS 35 H HIS 35 6.251 6.031 3.550
245 HA HIS 35 HA HIS 35 8.888 4.863 3.313
246 HB2 HIS 35 1HB HIS 35 6.338 4.538 1.732
247 HB3 HIS 35 2HB HIS 35 7.845 3.746 1.280
248 HD1 HIS 35 HD1 HIS 35 8.845 2.088 3.185
249 HD2 HIS 35 HD2 HIS 35 4.852 3.174 3.555
250 HE1 HIS 35 HE1 HIS 35 7.832 0.402 4.751
251 H THR 36 H THR 36 8.038 7.816 2.719
252 HA THR 36 HA THR 36 9.931 8.175 0.585
253 HB THR 36 HB THR 36 7.837 7.663 -0.667
254 HG1 THR 36 HG1 THR 36 8.168 9.334 -2.098
255 HG21 THR 36 3HG2 THR 36 6.350 8.765 1.076
256 HG22 THR 36 1HG2 THR 36 5.958 9.098 -0.610
257 HG23 THR 36 2HG2 THR 36 6.813 10.304 0.352
258 H GLY 37 H GLY 37 10.987 10.042 0.873
259 HA2 GLY 37 1HA GLY 37 10.826 11.650 3.042
260 HA3 GLY 37 2HA GLY 37 11.392 12.236 1.486
261 H GLU 38 H GLU 38 9.998 13.418 0.157
262 HA GLU 38 HA GLU 38 8.428 15.026 -0.222
263 HB2 GLU 38 1HB GLU 38 7.107 12.820 -0.288
264 HB3 GLU 38 2HB GLU 38 6.505 13.280 1.298
265 HG2 GLU 38 1HG GLU 38 4.926 13.908 -0.411
266 HG3 GLU 38 2HG GLU 38 5.600 15.346 0.351
267 H ARG 39 H ARG 39 10.001 15.543 2.004
268 HA ARG 39 HA ARG 39 8.436 17.478 3.353
269 HB2 ARG 39 1HB ARG 39 8.544 16.577 5.624
270 HB3 ARG 39 2HB ARG 39 7.610 15.521 4.573
271 HG2 ARG 39 1HG ARG 39 8.864 13.958 5.631
272 HG3 ARG 39 2HG ARG 39 9.961 14.332 4.300
273 HD2 ARG 39 1HD ARG 39 11.227 15.827 5.700
274 HD3 ARG 39 2HD ARG 39 10.067 15.638 7.015
275 HE ARG 39 HE ARG 39 11.316 13.187 6.138
276 HH11 ARG 39 1HH1 ARG 39 11.468 15.905 8.308
277 HH12 ARG 39 2HH1 ARG 39 12.470 15.092 9.465
278 HH21 ARG 39 1HH2 ARG 39 12.636 12.106 7.653
279 HH22 ARG 39 2HH2 ARG 39 13.135 12.932 9.090
280 HA PRO 40 HA PRO 40 12.439 19.193 3.921
281 HB2 PRO 40 1HB PRO 40 11.968 20.872 6.001
282 HB3 PRO 40 2HB PRO 40 11.380 21.183 4.363
283 HG2 PRO 40 1HG PRO 40 9.922 20.036 6.713
284 HG3 PRO 40 2HG PRO 40 9.371 21.238 5.532
285 HD2 PRO 40 1HD PRO 40 8.657 18.630 5.396
286 HD3 PRO 40 2HD PRO 40 8.866 19.639 3.951
287 H SER 41 H SER 41 13.457 17.215 4.622
288 HA SER 41 HA SER 41 13.446 16.055 7.093
289 HB2 SER 41 1HB SER 41 15.838 16.489 5.289
290 HB3 SER 41 2HB SER 41 15.789 15.350 6.634
291 HG SER 41 HG SER 41 13.858 14.482 5.477
292 H GLY 42 H GLY 42 15.208 18.952 6.103
293 HA2 GLY 42 1HA GLY 42 16.955 19.481 8.055
294 HA3 GLY 42 2HA GLY 42 15.868 20.726 7.457
295 HA PRO 43 HA PRO 43 14.951 19.248 11.972
296 HB2 PRO 43 1HB PRO 43 16.793 20.607 13.432
297 HB3 PRO 43 2HB PRO 43 17.052 18.957 12.854
298 HG2 PRO 43 1HG PRO 43 18.035 21.542 11.707
299 HG3 PRO 43 2HG PRO 43 18.902 20.010 11.918
300 HD2 PRO 43 1HD PRO 43 17.869 20.783 9.537
301 HD3 PRO 43 2HD PRO 43 17.975 19.079 10.024
302 H SER 44 H SER 44 15.727 22.217 10.382
303 HA SER 44 HA SER 44 14.655 24.013 12.300
304 HB2 SER 44 1HB SER 44 16.167 24.417 10.160
305 HB3 SER 44 2HB SER 44 14.603 24.680 9.388
306 HG SER 44 HG SER 44 14.313 26.455 10.537
307 H SER 45 H SER 45 12.694 22.810 12.835
308 HA SER 45 HA SER 45 10.605 22.328 11.037
309 HB2 SER 45 1HB SER 45 10.954 21.644 13.568
310 HB3 SER 45 2HB SER 45 9.986 23.089 13.863
311 HG SER 45 HG SER 45 9.144 21.161 11.991
312 H GLY 46 H GLY 46 9.999 23.941 9.689
313 HA2 GLY 46 1HA GLY 46 8.912 26.370 10.965
314 HA3 GLY 46 2HA GLY 46 9.902 26.474 9.517
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -1.983 -33.800 5.029
2 HA2 GLY 1 1HA GLY 1 -1.531 -31.024 5.930
3 HA3 GLY 1 2HA GLY 1 -0.191 -32.109 5.591
4 H SER 2 H SER 2 -2.276 -29.790 4.320
5 HA SER 2 HA SER 2 -1.057 -30.062 1.703
6 HB2 SER 2 1HB SER 2 -3.115 -30.164 0.460
7 HB3 SER 2 2HB SER 2 -3.135 -31.479 1.636
8 HG SER 2 HG SER 2 -4.986 -30.645 2.182
9 H SER 3 H SER 3 -0.588 -28.119 0.902
10 HA SER 3 HA SER 3 -2.162 -25.800 1.790
11 HB2 SER 3 1HB SER 3 -0.187 -24.499 2.200
12 HB3 SER 3 2HB SER 3 -0.010 -26.012 3.089
13 HG SER 3 HG SER 3 1.598 -24.989 1.234
14 H GLY 4 H GLY 4 -2.297 -24.084 0.324
15 HA2 GLY 4 1HA GLY 4 -1.064 -24.503 -2.313
16 HA3 GLY 4 2HA GLY 4 -2.807 -24.305 -2.206
17 H SER 5 H SER 5 -3.040 -22.397 -3.264
18 HA SER 5 HA SER 5 -1.808 -20.052 -1.985
19 HB2 SER 5 1HB SER 5 -2.195 -20.411 -4.967
20 HB3 SER 5 2HB SER 5 -1.507 -18.998 -4.168
21 HG SER 5 HG SER 5 -0.402 -21.581 -3.861
22 H SER 6 H SER 6 -3.401 -18.946 -1.070
23 HA SER 6 HA SER 6 -5.993 -18.790 -2.460
24 HB2 SER 6 1HB SER 6 -5.381 -18.430 0.484
25 HB3 SER 6 2HB SER 6 -6.979 -18.303 -0.251
26 HG SER 6 HG SER 6 -6.644 -20.519 -0.960
27 H GLY 7 H GLY 7 -3.738 -16.893 -0.463
28 HA2 GLY 7 1HA GLY 7 -3.075 -14.686 -0.778
29 HA3 GLY 7 2HA GLY 7 -4.214 -14.563 -2.111
30 H THR 8 H THR 8 -4.800 -15.485 1.262
31 HA THR 8 HA THR 8 -6.536 -14.794 2.627
32 HB THR 8 HB THR 8 -6.191 -12.400 3.351
33 HG1 THR 8 HG1 THR 8 -4.333 -11.365 2.457
34 HG21 THR 8 3HG2 THR 8 -4.446 -14.660 3.604
35 HG22 THR 8 1HG2 THR 8 -4.808 -13.400 4.784
36 HG23 THR 8 2HG2 THR 8 -3.494 -13.176 3.628
37 H GLY 9 H GLY 9 -7.489 -14.951 -0.006
38 HA2 GLY 9 1HA GLY 9 -9.332 -14.317 -1.221
39 HA3 GLY 9 2HA GLY 9 -9.817 -13.364 0.173
40 H GLU 10 H GLU 10 -10.062 -11.282 -0.241
41 HA GLU 10 HA GLU 10 -8.222 -9.994 -2.138
42 HB2 GLU 10 1HB GLU 10 -11.214 -9.569 -2.028
43 HB3 GLU 10 2HB GLU 10 -10.093 -8.674 -3.044
44 HG2 GLU 10 1HG GLU 10 -10.642 -11.628 -3.208
45 HG3 GLU 10 2HG GLU 10 -11.267 -10.394 -4.301
46 H ASN 11 H ASN 11 -7.046 -8.902 -0.631
47 HA ASN 11 HA ASN 11 -8.154 -7.605 1.632
48 HB2 ASN 11 1HB ASN 11 -5.516 -6.964 0.304
49 HB3 ASN 11 2HB ASN 11 -5.960 -6.695 1.987
50 HD21 ASN 11 1HD2 ASN 11 -5.166 -9.097 -0.418
51 HD22 ASN 11 2HD2 ASN 11 -4.760 -10.357 0.692
52 HA PRO 12 HA PRO 12 -9.630 -3.816 -0.030
53 HB2 PRO 12 1HB PRO 12 -9.237 -2.167 2.091
54 HB3 PRO 12 2HB PRO 12 -10.505 -3.398 2.053
55 HG2 PRO 12 1HG PRO 12 -7.809 -3.495 3.350
56 HG3 PRO 12 2HG PRO 12 -9.374 -4.040 3.980
57 HD2 PRO 12 1HD PRO 12 -7.553 -5.746 2.929
58 HD3 PRO 12 2HD PRO 12 -9.302 -6.019 2.800
59 H PHE 13 H PHE 13 -6.687 -3.262 1.921
60 HA PHE 13 HA PHE 13 -5.258 -2.190 -0.317
61 HB2 PHE 13 1HB PHE 13 -5.906 -0.256 1.912
62 HB3 PHE 13 2HB PHE 13 -5.033 0.082 0.421
63 HD1 PHE 13 HD2 PHE 13 -6.256 0.092 -1.742
64 HD2 PHE 13 HD1 PHE 13 -8.263 -0.192 2.000
65 HE1 PHE 13 HE2 PHE 13 -8.363 0.753 -2.826
66 HE2 PHE 13 HE1 PHE 13 -10.374 0.468 0.922
67 HZ PHE 13 HZ PHE 13 -10.426 0.942 -1.494
68 H ILE 14 H ILE 14 -3.237 -2.830 -0.026
69 HA ILE 14 HA ILE 14 -2.165 -2.917 2.717
70 HB ILE 14 HB ILE 14 -1.658 -4.900 0.497
71 HG12 ILE 14 1HG1 ILE 14 -2.954 -5.218 3.213
72 HG13 ILE 14 2HG1 ILE 14 -3.798 -5.212 1.668
73 HG21 ILE 14 1HG2 ILE 14 -0.053 -5.952 1.828
74 HG22 ILE 14 2HG2 ILE 14 0.317 -4.236 1.988
75 HG23 ILE 14 3HG2 ILE 14 -0.546 -5.075 3.276
76 HD11 ILE 14 3HD1 ILE 14 -3.631 -7.432 1.841
77 HD12 ILE 14 1HD1 ILE 14 -1.985 -7.180 1.261
78 HD13 ILE 14 2HD1 ILE 14 -2.296 -7.346 2.990
79 H CYS 15 H CYS 15 -0.108 -2.179 3.026
80 HA CYS 15 HA CYS 15 0.963 -0.402 1.086
81 HB2 CYS 15 1HB CYS 15 1.160 -0.190 3.606
82 HB3 CYS 15 2HB CYS 15 2.391 -1.447 3.533
83 H SER 16 H SER 16 2.234 -0.845 -0.579
84 HA SER 16 HA SER 16 3.383 -3.485 -0.870
85 HB2 SER 16 1HB SER 16 3.193 -1.080 -2.678
86 HB3 SER 16 2HB SER 16 4.155 -2.494 -3.111
87 HG SER 16 HG SER 16 1.528 -2.914 -2.271
88 H GLU 17 H GLU 17 4.483 -1.902 1.240
89 HA GLU 17 HA GLU 17 7.264 -1.750 0.303
90 HB2 GLU 17 1HB GLU 17 5.767 0.273 1.952
91 HB3 GLU 17 2HB GLU 17 7.520 0.156 2.011
92 HG2 GLU 17 1HG GLU 17 5.983 0.560 -0.538
93 HG3 GLU 17 2HG GLU 17 6.589 1.886 0.453
94 H CYS 18 H CYS 18 5.176 -1.820 3.185
95 HA CYS 18 HA CYS 18 7.217 -3.476 4.516
96 HB2 CYS 18 1HB CYS 18 6.140 -2.711 6.652
97 HB3 CYS 18 2HB CYS 18 6.923 -1.431 5.732
98 H GLY 19 H GLY 19 3.713 -2.996 4.157
99 HA2 GLY 19 1HA GLY 19 2.466 -5.057 3.535
100 HA3 GLY 19 2HA GLY 19 3.367 -5.857 4.814
101 H LYS 20 H LYS 20 1.870 -2.654 4.894
102 HA LYS 20 HA LYS 20 0.273 -3.555 7.190
103 HB2 LYS 20 1HB LYS 20 1.930 -1.515 7.209
104 HB3 LYS 20 2HB LYS 20 0.590 -0.675 6.440
105 HG2 LYS 20 1HG LYS 20 -0.721 -0.759 8.312
106 HG3 LYS 20 2HG LYS 20 0.064 -2.214 8.930
107 HD2 LYS 20 1HD LYS 20 1.931 -1.006 9.699
108 HD3 LYS 20 2HD LYS 20 1.504 0.418 8.748
109 HE2 LYS 20 1HE LYS 20 0.930 0.940 10.975
110 HE3 LYS 20 2HE LYS 20 -0.590 0.566 10.165
111 HZ1 LYS 20 3HZ LYS 20 -0.944 -0.861 11.811
112 HZ2 LYS 20 1HZ LYS 20 0.643 -0.734 12.385
113 HZ3 LYS 20 2HZ LYS 20 0.275 -1.833 11.153
114 H VAL 21 H VAL 21 -1.849 -3.799 6.978
115 HA VAL 21 HA VAL 21 -3.145 -2.865 4.534
116 HB VAL 21 HB VAL 21 -3.464 -5.214 5.186
117 HG11 VAL 21 1HG1 VAL 21 -3.487 -4.447 7.718
118 HG12 VAL 21 2HG1 VAL 21 -5.231 -4.439 7.445
119 HG13 VAL 21 3HG1 VAL 21 -4.304 -5.917 7.187
120 HG21 VAL 21 3HG2 VAL 21 -6.093 -5.018 5.340
121 HG22 VAL 21 1HG2 VAL 21 -5.751 -3.324 4.989
122 HG23 VAL 21 2HG2 VAL 21 -5.224 -4.580 3.869
123 H PHE 22 H PHE 22 -4.794 -1.412 4.474
124 HA PHE 22 HA PHE 22 -5.629 -0.218 7.033
125 HB2 PHE 22 1HB PHE 22 -5.090 1.246 4.441
126 HB3 PHE 22 2HB PHE 22 -5.694 1.978 5.923
127 HD1 PHE 22 HD2 PHE 22 -2.791 0.251 4.423
128 HD2 PHE 22 HD1 PHE 22 -4.230 2.651 7.630
129 HE1 PHE 22 HE2 PHE 22 -0.478 0.633 5.170
130 HE2 PHE 22 HE1 PHE 22 -1.919 3.038 8.382
131 HZ PHE 22 HZ PHE 22 -0.040 2.028 7.152
132 H THR 23 H THR 23 -7.766 0.174 7.296
133 HA THR 23 HA THR 23 -9.633 -1.168 5.687
134 HB THR 23 HB THR 23 -10.257 1.099 7.584
135 HG1 THR 23 HG1 THR 23 -8.942 -0.969 8.252
136 HG21 THR 23 3HG2 THR 23 -11.834 -0.966 6.177
137 HG22 THR 23 1HG2 THR 23 -12.304 0.643 6.723
138 HG23 THR 23 2HG2 THR 23 -12.246 -0.695 7.870
139 H HIS 24 H HIS 24 -8.778 2.267 5.892
140 HA HIS 24 HA HIS 24 -10.464 2.786 3.541
141 HB2 HIS 24 1HB HIS 24 -10.518 4.141 5.825
142 HB3 HIS 24 2HB HIS 24 -9.177 5.000 5.073
143 HD1 HIS 24 HD1 HIS 24 -9.725 6.631 3.212
144 HD2 HIS 24 HD2 HIS 24 -13.015 4.430 4.475
145 HE1 HIS 24 HE1 HIS 24 -11.717 7.712 2.121
146 H LYS 25 H LYS 25 -9.634 3.702 1.693
147 HA LYS 25 HA LYS 25 -6.996 3.095 0.989
148 HB2 LYS 25 1HB LYS 25 -7.423 4.280 -1.067
149 HB3 LYS 25 2HB LYS 25 -8.873 3.394 -0.615
150 HG2 LYS 25 1HG LYS 25 -9.623 5.610 0.466
151 HG3 LYS 25 2HG LYS 25 -8.363 6.340 -0.532
152 HD2 LYS 25 1HD LYS 25 -9.438 5.814 -2.507
153 HD3 LYS 25 2HD LYS 25 -10.341 4.482 -1.782
154 HE2 LYS 25 1HE LYS 25 -10.834 7.287 -0.875
155 HE3 LYS 25 2HE LYS 25 -11.552 6.714 -2.379
156 HZ1 LYS 25 3HZ LYS 25 -12.817 5.141 -1.270
157 HZ2 LYS 25 1HZ LYS 25 -12.879 6.466 -0.220
158 HZ3 LYS 25 2HZ LYS 25 -11.848 5.169 0.116
159 H THR 26 H THR 26 -8.466 6.142 2.024
160 HA THR 26 HA THR 26 -6.307 7.844 1.586
161 HB THR 26 HB THR 26 -8.244 8.047 3.897
162 HG1 THR 26 HG1 THR 26 -8.527 8.553 1.142
163 HG21 THR 26 3HG2 THR 26 -6.350 9.596 4.006
164 HG22 THR 26 1HG2 THR 26 -7.854 10.455 3.677
165 HG23 THR 26 2HG2 THR 26 -6.707 10.154 2.372
166 H ASN 27 H ASN 27 -7.115 5.932 4.471
167 HA ASN 27 HA ASN 27 -5.137 6.772 6.188
168 HB2 ASN 27 1HB ASN 27 -6.484 4.114 5.807
169 HB3 ASN 27 2HB ASN 27 -5.214 4.302 7.013
170 HD21 ASN 27 1HD2 ASN 27 -6.066 4.510 8.943
171 HD22 ASN 27 2HD2 ASN 27 -7.458 5.448 9.350
172 H LEU 28 H LEU 28 -4.917 4.157 3.784
173 HA LEU 28 HA LEU 28 -2.294 3.379 4.281
174 HB2 LEU 28 1HB LEU 28 -3.592 2.006 2.887
175 HB3 LEU 28 2HB LEU 28 -3.985 3.339 1.803
176 HG LEU 28 HG LEU 28 -1.528 3.345 1.157
177 HD11 LEU 28 1HD1 LEU 28 -0.519 0.999 1.475
178 HD12 LEU 28 2HD1 LEU 28 -1.655 0.856 2.816
179 HD13 LEU 28 3HD1 LEU 28 -0.445 2.138 2.820
180 HD21 LEU 28 3HD2 LEU 28 -3.226 0.933 0.528
181 HD22 LEU 28 1HD2 LEU 28 -1.816 1.457 -0.394
182 HD23 LEU 28 2HD2 LEU 28 -3.249 2.483 -0.314
183 H ILE 29 H ILE 29 -3.431 5.621 1.749
184 HA ILE 29 HA ILE 29 -1.043 6.424 0.697
185 HB ILE 29 HB ILE 29 -3.433 8.182 1.260
186 HG12 ILE 29 1HG1 ILE 29 -2.714 6.956 -1.386
187 HG13 ILE 29 2HG1 ILE 29 -3.609 6.024 -0.190
188 HG21 ILE 29 1HG2 ILE 29 -2.584 9.756 -0.260
189 HG22 ILE 29 2HG2 ILE 29 -1.216 9.336 0.770
190 HG23 ILE 29 3HG2 ILE 29 -1.345 8.647 -0.847
191 HD11 ILE 29 3HD1 ILE 29 -4.484 8.694 -1.261
192 HD12 ILE 29 1HD1 ILE 29 -5.034 7.136 -1.877
193 HD13 ILE 29 2HD1 ILE 29 -5.402 7.608 -0.218
194 H ILE 30 H ILE 30 -2.603 7.698 3.616
195 HA ILE 30 HA ILE 30 -0.725 9.710 4.174
196 HB ILE 30 HB ILE 30 -2.425 8.151 6.125
197 HG12 ILE 30 1HG1 ILE 30 -3.019 10.895 5.049
198 HG13 ILE 30 2HG1 ILE 30 -3.518 9.456 4.166
199 HG21 ILE 30 1HG2 ILE 30 -0.960 9.203 7.528
200 HG22 ILE 30 2HG2 ILE 30 -0.658 10.525 6.403
201 HG23 ILE 30 3HG2 ILE 30 -2.158 10.482 7.330
202 HD11 ILE 30 3HD1 ILE 30 -4.233 9.575 7.027
203 HD12 ILE 30 1HD1 ILE 30 -5.071 10.684 5.942
204 HD13 ILE 30 2HD1 ILE 30 -5.138 8.945 5.651
205 H HIS 31 H HIS 31 -0.786 6.282 4.937
206 HA HIS 31 HA HIS 31 1.434 6.363 6.735
207 HB2 HIS 31 1HB HIS 31 0.053 4.514 7.074
208 HB3 HIS 31 2HB HIS 31 -0.089 4.179 5.351
209 HD1 HIS 31 HD1 HIS 31 2.465 3.931 8.142
210 HD2 HIS 31 HD2 HIS 31 1.636 2.286 4.418
211 HE1 HIS 31 HE1 HIS 31 4.121 2.061 7.849
212 H GLN 32 H GLN 32 1.139 4.883 3.499
213 HA GLN 32 HA GLN 32 3.709 4.261 2.962
214 HB2 GLN 32 1HB GLN 32 1.711 5.535 1.090
215 HB3 GLN 32 2HB GLN 32 3.228 4.824 0.556
216 HG2 GLN 32 1HG GLN 32 2.557 2.661 1.173
217 HG3 GLN 32 2HG GLN 32 1.206 3.267 2.131
218 HE21 GLN 32 1HE2 GLN 32 0.976 1.297 0.155
219 HE22 GLN 32 2HE2 GLN 32 -0.000 1.922 -1.126
220 H LYS 33 H LYS 33 2.427 7.447 3.320
221 HA LYS 33 HA LYS 33 4.132 9.064 1.931
222 HB2 LYS 33 1HB LYS 33 3.117 9.450 4.752
223 HB3 LYS 33 2HB LYS 33 3.856 10.717 3.782
224 HG2 LYS 33 1HG LYS 33 1.972 10.010 2.069
225 HG3 LYS 33 2HG LYS 33 1.180 9.459 3.547
226 HD2 LYS 33 1HD LYS 33 0.424 11.610 3.507
227 HD3 LYS 33 2HD LYS 33 1.929 11.859 4.395
228 HE2 LYS 33 1HE LYS 33 2.990 12.277 2.103
229 HE3 LYS 33 2HE LYS 33 1.339 12.417 1.503
230 HZ1 LYS 33 3HZ LYS 33 0.940 14.248 2.943
231 HZ2 LYS 33 1HZ LYS 33 2.393 14.559 2.133
232 HZ3 LYS 33 2HZ LYS 33 2.417 14.037 3.742
233 H ILE 34 H ILE 34 4.832 7.199 4.806
234 HA ILE 34 HA ILE 34 7.326 8.446 5.392
235 HB ILE 34 HB ILE 34 7.726 6.593 6.903
236 HG12 ILE 34 1HG1 ILE 34 5.184 5.312 5.909
237 HG13 ILE 34 2HG1 ILE 34 6.763 4.878 5.263
238 HG21 ILE 34 1HG2 ILE 34 6.395 8.030 8.050
239 HG22 ILE 34 2HG2 ILE 34 5.101 7.960 6.854
240 HG23 ILE 34 3HG2 ILE 34 5.303 6.645 8.011
241 HD11 ILE 34 3HD1 ILE 34 7.331 4.533 7.806
242 HD12 ILE 34 1HD1 ILE 34 5.584 4.330 7.929
243 HD13 ILE 34 2HD1 ILE 34 6.521 3.281 6.864
244 H HIS 35 H HIS 35 6.318 5.797 3.346
245 HA HIS 35 HA HIS 35 8.954 4.770 2.901
246 HB2 HIS 35 1HB HIS 35 6.323 4.340 1.486
247 HB3 HIS 35 2HB HIS 35 7.815 3.543 0.997
248 HD1 HIS 35 HD1 HIS 35 8.998 2.467 3.454
249 HD2 HIS 35 HD2 HIS 35 4.880 2.575 2.916
250 HE1 HIS 35 HE1 HIS 35 8.071 0.728 5.016
251 H THR 36 H THR 36 6.805 7.004 1.225
252 HA THR 36 HA THR 36 8.621 7.328 -1.000
253 HB THR 36 HB THR 36 6.214 7.496 -1.397
254 HG1 THR 36 HG1 THR 36 7.984 9.559 -1.952
255 HG21 THR 36 3HG2 THR 36 4.796 8.931 -0.331
256 HG22 THR 36 1HG2 THR 36 6.045 10.147 -0.070
257 HG23 THR 36 2HG2 THR 36 5.978 8.717 0.959
258 H GLY 37 H GLY 37 7.707 9.106 1.905
259 HA2 GLY 37 1HA GLY 37 10.063 10.818 1.496
260 HA3 GLY 37 2HA GLY 37 8.509 11.567 1.831
261 H GLU 38 H GLU 38 10.442 12.205 3.521
262 HA GLU 38 HA GLU 38 11.018 12.276 5.721
263 HB2 GLU 38 1HB GLU 38 8.417 10.764 5.937
264 HB3 GLU 38 2HB GLU 38 9.345 11.271 7.341
265 HG2 GLU 38 1HG GLU 38 7.639 12.878 6.986
266 HG3 GLU 38 2HG GLU 38 9.171 13.617 6.520
267 H ARG 39 H ARG 39 12.431 10.456 4.321
268 HA ARG 39 HA ARG 39 12.690 8.214 6.214
269 HB2 ARG 39 1HB ARG 39 13.292 6.734 4.430
270 HB3 ARG 39 2HB ARG 39 11.784 7.522 3.984
271 HG2 ARG 39 1HG ARG 39 14.276 8.809 3.057
272 HG3 ARG 39 2HG ARG 39 13.848 7.266 2.316
273 HD2 ARG 39 1HD ARG 39 12.705 8.651 0.922
274 HD3 ARG 39 2HD ARG 39 11.471 8.438 2.164
275 HE ARG 39 HE ARG 39 11.693 10.647 2.707
276 HH11 ARG 39 1HH1 ARG 39 14.456 9.658 0.834
277 HH12 ARG 39 2HH1 ARG 39 15.092 11.263 0.684
278 HH21 ARG 39 1HH2 ARG 39 12.521 12.764 2.517
279 HH22 ARG 39 2HH2 ARG 39 13.992 13.028 1.643
280 HA PRO 40 HA PRO 40 16.870 9.431 6.788
281 HB2 PRO 40 1HB PRO 40 18.032 7.032 7.305
282 HB3 PRO 40 2HB PRO 40 16.968 7.852 8.454
283 HG2 PRO 40 1HG PRO 40 16.347 5.621 6.557
284 HG3 PRO 40 2HG PRO 40 15.855 5.820 8.249
285 HD2 PRO 40 1HD PRO 40 14.204 6.378 6.176
286 HD3 PRO 40 2HD PRO 40 14.143 7.267 7.712
287 H SER 41 H SER 41 18.110 10.115 5.162
288 HA SER 41 HA SER 41 18.344 9.072 2.638
289 HB2 SER 41 1HB SER 41 20.344 10.422 2.373
290 HB3 SER 41 2HB SER 41 19.181 11.308 3.359
291 HG SER 41 HG SER 41 20.694 9.837 4.974
292 H GLY 42 H GLY 42 18.773 6.987 2.225
293 HA2 GLY 42 1HA GLY 42 21.374 5.953 3.112
294 HA3 GLY 42 2HA GLY 42 19.937 4.993 3.429
295 HA PRO 43 HA PRO 43 20.545 3.054 -0.466
296 HB2 PRO 43 1HB PRO 43 18.029 2.123 -0.888
297 HB3 PRO 43 2HB PRO 43 19.131 1.411 0.298
298 HG2 PRO 43 1HG PRO 43 16.891 3.353 0.719
299 HG3 PRO 43 2HG PRO 43 17.329 1.925 1.675
300 HD2 PRO 43 1HD PRO 43 17.992 4.440 2.426
301 HD3 PRO 43 2HD PRO 43 19.012 3.034 2.793
302 H SER 44 H SER 44 19.089 2.826 -2.613
303 HA SER 44 HA SER 44 18.534 3.908 -4.541
304 HB2 SER 44 1HB SER 44 16.445 4.137 -3.003
305 HB3 SER 44 2HB SER 44 16.917 5.833 -2.893
306 HG SER 44 HG SER 44 16.190 4.358 -5.194
307 H SER 45 H SER 45 20.959 4.749 -3.494
308 HA SER 45 HA SER 45 21.572 7.290 -2.962
309 HB2 SER 45 1HB SER 45 23.584 7.062 -4.440
310 HB3 SER 45 2HB SER 45 23.321 5.679 -3.378
311 HG SER 45 HG SER 45 22.693 5.876 -6.137
312 H GLY 46 H GLY 46 21.109 9.241 -3.730
313 HA2 GLY 46 1HA GLY 46 21.266 10.152 -6.308
314 HA3 GLY 46 2HA GLY 46 19.624 9.543 -6.164