Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505554 | 2ysp RC | 11369 | 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 3.593 -29.824 -10.031
2 HA2 GLY 1 1HA GLY 1 5.384 -28.542 -10.719
3 HA3 GLY 1 2HA GLY 1 4.257 -27.529 -11.608
4 H SER 2 H SER 2 3.068 -25.894 -10.390
5 HA SER 2 HA SER 2 4.407 -25.086 -7.901
6 HB2 SER 2 1HB SER 2 3.757 -23.249 -10.220
7 HB3 SER 2 2HB SER 2 4.420 -22.745 -8.666
8 HG SER 2 HG SER 2 6.081 -24.515 -9.357
9 H SER 3 H SER 3 3.144 -23.918 -6.439
10 HA SER 3 HA SER 3 0.441 -23.173 -7.056
11 HB2 SER 3 1HB SER 3 -0.614 -24.707 -5.413
12 HB3 SER 3 2HB SER 3 0.098 -25.569 -6.776
13 HG SER 3 HG SER 3 0.742 -26.625 -4.945
14 H GLY 4 H GLY 4 -0.580 -22.008 -5.350
15 HA2 GLY 4 1HA GLY 4 0.760 -21.609 -2.840
16 HA3 GLY 4 2HA GLY 4 0.971 -20.256 -3.941
17 H SER 5 H SER 5 -0.150 -19.101 -2.175
18 HA SER 5 HA SER 5 -2.964 -19.643 -1.814
19 HB2 SER 5 1HB SER 5 -1.007 -17.683 -0.688
20 HB3 SER 5 2HB SER 5 -2.729 -17.322 -0.569
21 HG SER 5 HG SER 5 -1.229 -19.294 0.684
22 H SER 6 H SER 6 -4.615 -18.737 -2.869
23 HA SER 6 HA SER 6 -4.092 -17.087 -5.155
24 HB2 SER 6 1HB SER 6 -6.554 -17.178 -5.477
25 HB3 SER 6 2HB SER 6 -5.841 -18.776 -5.262
26 HG SER 6 HG SER 6 -7.618 -17.406 -3.670
27 H GLY 7 H GLY 7 -5.997 -16.621 -2.173
28 HA2 GLY 7 1HA GLY 7 -5.555 -14.479 -0.983
29 HA3 GLY 7 2HA GLY 7 -5.658 -13.709 -2.559
30 H THR 8 H THR 8 -7.598 -15.861 -0.482
31 HA THR 8 HA THR 8 -10.081 -15.512 -1.515
32 HB THR 8 HB THR 8 -11.005 -15.778 0.769
33 HG1 THR 8 HG1 THR 8 -9.803 -15.375 2.478
34 HG21 THR 8 3HG2 THR 8 -10.558 -17.869 -0.015
35 HG22 THR 8 1HG2 THR 8 -9.398 -17.843 1.313
36 HG23 THR 8 2HG2 THR 8 -8.862 -17.506 -0.333
37 H GLY 9 H GLY 9 -8.582 -13.353 0.899
38 HA2 GLY 9 1HA GLY 9 -10.719 -11.487 0.913
39 HA3 GLY 9 2HA GLY 9 -9.096 -11.201 1.523
40 H GLU 10 H GLU 10 -10.306 -9.117 0.380
41 HA GLU 10 HA GLU 10 -9.085 -8.942 -2.297
42 HB2 GLU 10 1HB GLU 10 -11.635 -8.765 -2.107
43 HB3 GLU 10 2HB GLU 10 -11.353 -7.210 -1.337
44 HG2 GLU 10 1HG GLU 10 -10.156 -6.450 -3.339
45 HG3 GLU 10 2HG GLU 10 -10.493 -7.999 -4.111
46 H LYS 11 H LYS 11 -7.412 -7.617 -2.449
47 HA LYS 11 HA LYS 11 -7.082 -5.526 -0.402
48 HB2 LYS 11 1HB LYS 11 -5.064 -7.079 -2.017
49 HB3 LYS 11 2HB LYS 11 -4.640 -5.623 -1.125
50 HG2 LYS 11 1HG LYS 11 -4.085 -7.236 0.394
51 HG3 LYS 11 2HG LYS 11 -5.747 -6.892 0.878
52 HD2 LYS 11 1HD LYS 11 -5.789 -9.187 0.806
53 HD3 LYS 11 2HD LYS 11 -6.307 -8.800 -0.836
54 HE2 LYS 11 1HE LYS 11 -4.248 -9.367 -1.751
55 HE3 LYS 11 2HE LYS 11 -3.406 -9.194 -0.212
56 HZ1 LYS 11 3HZ LYS 11 -5.469 -11.257 -0.407
57 HZ2 LYS 11 1HZ LYS 11 -4.016 -11.259 0.461
58 HZ3 LYS 11 2HZ LYS 11 -4.005 -11.540 -1.207
59 HA PRO 12 HA PRO 12 -7.936 -3.226 -4.308
60 HB2 PRO 12 1HB PRO 12 -9.354 -1.257 -3.089
61 HB3 PRO 12 2HB PRO 12 -10.079 -2.785 -3.606
62 HG2 PRO 12 1HG PRO 12 -9.156 -1.951 -0.883
63 HG3 PRO 12 2HG PRO 12 -10.632 -2.817 -1.347
64 HD2 PRO 12 1HD PRO 12 -8.462 -4.079 -0.333
65 HD3 PRO 12 2HD PRO 12 -9.543 -4.841 -1.518
66 H TYR 13 H TYR 13 -6.244 -2.676 -1.428
67 HA TYR 13 HA TYR 13 -4.920 -0.339 -2.623
68 HB2 TYR 13 1HB TYR 13 -5.604 -0.640 0.308
69 HB3 TYR 13 2HB TYR 13 -4.721 0.700 -0.415
70 HD1 TYR 13 HD2 TYR 13 -6.272 1.320 -2.796
71 HD2 TYR 13 HD1 TYR 13 -7.612 0.217 1.089
72 HE1 TYR 13 HE2 TYR 13 -8.390 2.505 -3.195
73 HE2 TYR 13 HE1 TYR 13 -9.734 1.398 0.700
74 HH TYR 13 HH TYR 13 -11.018 2.419 -0.831
75 H LYS 14 H LYS 14 -2.888 -0.869 -3.028
76 HA LYS 14 HA LYS 14 -1.495 -2.661 -1.148
77 HB2 LYS 14 1HB LYS 14 -1.793 -3.746 -3.297
78 HB3 LYS 14 2HB LYS 14 -1.119 -2.352 -4.131
79 HG2 LYS 14 1HG LYS 14 1.046 -2.809 -3.402
80 HG3 LYS 14 2HG LYS 14 0.484 -3.870 -2.107
81 HD2 LYS 14 1HD LYS 14 -0.469 -5.297 -4.070
82 HD3 LYS 14 2HD LYS 14 0.704 -4.405 -5.042
83 HE2 LYS 14 1HE LYS 14 1.608 -5.652 -2.493
84 HE3 LYS 14 2HE LYS 14 1.330 -6.692 -3.889
85 HZ1 LYS 14 3HZ LYS 14 3.653 -5.757 -3.574
86 HZ2 LYS 14 1HZ LYS 14 3.017 -4.271 -4.072
87 HZ3 LYS 14 2HZ LYS 14 2.971 -5.602 -5.114
88 H CYS 15 H CYS 15 0.744 -2.259 -0.770
89 HA CYS 15 HA CYS 15 1.523 0.537 -1.284
90 HB2 CYS 15 1HB CYS 15 1.043 -0.212 1.130
91 HB3 CYS 15 2HB CYS 15 2.544 -1.125 1.011
92 H GLU 16 H GLU 16 2.552 -0.040 -3.252
93 HA GLU 16 HA GLU 16 4.384 -2.033 -3.704
94 HB2 GLU 16 1HB GLU 16 4.371 0.798 -4.756
95 HB3 GLU 16 2HB GLU 16 5.415 -0.471 -5.382
96 HG2 GLU 16 1HG GLU 16 3.245 -1.784 -5.768
97 HG3 GLU 16 2HG GLU 16 2.438 -0.231 -5.558
98 H LYS 17 H LYS 17 4.841 0.993 -1.998
99 HA LYS 17 HA LYS 17 7.545 1.288 -1.890
100 HB2 LYS 17 1HB LYS 17 5.356 1.796 0.059
101 HB3 LYS 17 2HB LYS 17 7.007 1.882 0.660
102 HG2 LYS 17 1HG LYS 17 6.393 4.075 0.046
103 HG3 LYS 17 2HG LYS 17 7.492 3.493 -1.207
104 HD2 LYS 17 1HD LYS 17 5.785 4.488 -2.431
105 HD3 LYS 17 2HD LYS 17 5.333 2.782 -2.441
106 HE2 LYS 17 1HE LYS 17 3.661 3.110 -0.820
107 HE3 LYS 17 2HE LYS 17 4.292 4.692 -0.369
108 HZ1 LYS 17 3HZ LYS 17 2.655 5.413 -1.702
109 HZ2 LYS 17 1HZ LYS 17 2.537 3.956 -2.553
110 HZ3 LYS 17 2HZ LYS 17 3.743 5.073 -2.951
111 H CYS 18 H CYS 18 5.613 -0.870 0.172
112 HA CYS 18 HA CYS 18 8.106 -2.249 0.922
113 HB2 CYS 18 1HB CYS 18 6.680 -3.125 2.860
114 HB3 CYS 18 2HB CYS 18 7.151 -1.430 2.915
115 H GLY 19 H GLY 19 4.649 -2.827 0.273
116 HA2 GLY 19 1HA GLY 19 4.176 -4.498 -1.496
117 HA3 GLY 19 2HA GLY 19 5.412 -5.496 -0.745
118 H LYS 20 H LYS 20 2.895 -3.620 0.878
119 HA LYS 20 HA LYS 20 1.737 -6.158 1.831
120 HB2 LYS 20 1HB LYS 20 3.035 -4.759 3.529
121 HB3 LYS 20 2HB LYS 20 1.736 -3.581 3.395
122 HG2 LYS 20 1HG LYS 20 1.127 -4.816 5.249
123 HG3 LYS 20 2HG LYS 20 0.184 -5.563 3.958
124 HD2 LYS 20 1HD LYS 20 1.524 -7.455 3.901
125 HD3 LYS 20 2HD LYS 20 2.892 -6.630 4.652
126 HE2 LYS 20 1HE LYS 20 1.275 -6.422 6.691
127 HE3 LYS 20 2HE LYS 20 0.427 -7.756 5.910
128 HZ1 LYS 20 3HZ LYS 20 2.533 -8.999 5.921
129 HZ2 LYS 20 1HZ LYS 20 2.003 -8.614 7.481
130 HZ3 LYS 20 2HZ LYS 20 3.266 -7.737 6.777
131 H GLY 21 H GLY 21 -0.491 -6.312 1.971
132 HA2 GLY 21 1HA GLY 21 -1.944 -4.374 0.345
133 HA3 GLY 21 2HA GLY 21 -2.527 -5.951 0.855
134 H TYR 22 H TYR 22 -4.050 -3.588 0.989
135 HA TYR 22 HA TYR 22 -4.621 -3.565 3.844
136 HB2 TYR 22 1HB TYR 22 -3.893 -1.113 2.252
137 HB3 TYR 22 2HB TYR 22 -4.876 -1.012 3.708
138 HD1 TYR 22 HD2 TYR 22 -1.541 -1.823 2.385
139 HD2 TYR 22 HD1 TYR 22 -3.905 -1.313 5.885
140 HE1 TYR 22 HE2 TYR 22 0.502 -1.795 3.754
141 HE2 TYR 22 HE1 TYR 22 -1.869 -1.283 7.264
142 HH TYR 22 HH TYR 22 0.379 -1.159 7.227
143 H ASN 23 H ASN 23 -6.725 -3.858 4.112
144 HA ASN 23 HA ASN 23 -8.529 -3.386 1.867
145 HB2 ASN 23 1HB ASN 23 -9.384 -4.602 4.472
146 HB3 ASN 23 2HB ASN 23 -9.993 -4.909 2.848
147 HD21 ASN 23 1HD2 ASN 23 -8.380 -6.284 5.270
148 HD22 ASN 23 2HD2 ASN 23 -7.371 -7.384 4.399
149 H SER 24 H SER 24 -7.567 -1.066 3.095
150 HA SER 24 HA SER 24 -10.047 0.205 3.785
151 HB2 SER 24 1HB SER 24 -7.921 -0.225 5.873
152 HB3 SER 24 2HB SER 24 -9.019 1.152 5.959
153 HG SER 24 HG SER 24 -10.311 -0.216 6.890
154 H LYS 25 H LYS 25 -9.957 1.972 2.582
155 HA LYS 25 HA LYS 25 -7.631 3.081 1.494
156 HB2 LYS 25 1HB LYS 25 -9.007 4.828 0.660
157 HB3 LYS 25 2HB LYS 25 -10.005 3.379 0.671
158 HG2 LYS 25 1HG LYS 25 -10.094 5.166 3.043
159 HG3 LYS 25 2HG LYS 25 -10.904 5.686 1.563
160 HD2 LYS 25 1HD LYS 25 -12.088 3.481 1.537
161 HD3 LYS 25 2HD LYS 25 -11.393 3.153 3.127
162 HE2 LYS 25 1HE LYS 25 -12.475 5.203 3.981
163 HE3 LYS 25 2HE LYS 25 -13.221 5.442 2.402
164 HZ1 LYS 25 3HZ LYS 25 -13.839 3.469 4.470
165 HZ2 LYS 25 1HZ LYS 25 -14.037 3.000 2.857
166 HZ3 LYS 25 2HZ LYS 25 -14.881 4.336 3.458
167 H PHE 26 H PHE 26 -9.049 3.458 4.594
168 HA PHE 26 HA PHE 26 -7.748 5.982 5.159
169 HB2 PHE 26 1HB PHE 26 -9.785 5.805 6.285
170 HB3 PHE 26 2HB PHE 26 -9.514 4.119 6.712
171 HD1 PHE 26 HD1 PHE 26 -7.970 3.541 8.544
172 HD2 PHE 26 HD2 PHE 26 -9.008 7.573 7.665
173 HE1 PHE 26 HE1 PHE 26 -7.146 4.232 10.757
174 HE2 PHE 26 HE2 PHE 26 -8.186 8.271 9.876
175 HZ PHE 26 HZ PHE 26 -7.252 6.600 11.425
176 H ASN 27 H ASN 27 -7.474 2.617 6.279
177 HA ASN 27 HA ASN 27 -5.365 2.927 8.049
178 HB2 ASN 27 1HB ASN 27 -6.666 0.843 7.794
179 HB3 ASN 27 2HB ASN 27 -5.892 0.560 6.237
180 HD21 ASN 27 1HD2 ASN 27 -5.896 -0.997 8.746
181 HD22 ASN 27 2HD2 ASN 27 -4.230 -1.230 9.141
182 H LEU 28 H LEU 28 -5.257 2.283 4.559
183 HA LEU 28 HA LEU 28 -2.502 2.032 4.267
184 HB2 LEU 28 1HB LEU 28 -3.940 1.461 2.461
185 HB3 LEU 28 2HB LEU 28 -4.605 3.092 2.395
186 HG LEU 28 HG LEU 28 -2.140 3.750 1.800
187 HD11 LEU 28 1HD1 LEU 28 -2.188 0.945 0.725
188 HD12 LEU 28 2HD1 LEU 28 -1.370 1.376 2.226
189 HD13 LEU 28 3HD1 LEU 28 -0.861 2.106 0.703
190 HD21 LEU 28 3HD2 LEU 28 -2.756 3.005 -0.653
191 HD22 LEU 28 1HD2 LEU 28 -3.663 4.270 0.177
192 HD23 LEU 28 2HD2 LEU 28 -4.309 2.631 0.097
193 H ASP 29 H ASP 29 -4.518 4.910 4.432
194 HA ASP 29 HA ASP 29 -2.722 6.842 3.588
195 HB2 ASP 29 1HB ASP 29 -5.216 7.024 4.362
196 HB3 ASP 29 2HB ASP 29 -4.508 7.373 5.937
197 H MET 30 H MET 30 -3.368 6.006 6.999
198 HA MET 30 HA MET 30 -1.298 7.425 8.141
199 HB2 MET 30 1HB MET 30 -2.757 4.937 8.946
200 HB3 MET 30 2HB MET 30 -1.390 5.487 9.905
201 HG2 MET 30 1HG MET 30 -2.465 7.554 10.393
202 HG3 MET 30 2HG MET 30 -3.756 7.216 9.243
203 HE1 MET 30 3HE MET 30 -1.848 6.211 12.181
204 HE2 MET 30 1HE MET 30 -3.090 6.280 13.432
205 HE3 MET 30 2HE MET 30 -2.638 4.730 12.722
206 H HIS 31 H HIS 31 -1.233 4.246 6.640
207 HA HIS 31 HA HIS 31 1.401 3.565 7.461
208 HB2 HIS 31 1HB HIS 31 -0.213 1.866 6.735
209 HB3 HIS 31 2HB HIS 31 -0.221 2.554 5.114
210 HD1 HIS 31 HD1 HIS 31 2.183 0.860 7.512
211 HD2 HIS 31 HD2 HIS 31 1.656 1.510 3.442
212 HE1 HIS 31 HE1 HIS 31 3.967 -0.501 6.377
213 H GLN 32 H GLN 32 0.059 5.168 4.621
214 HA GLN 32 HA GLN 32 2.303 5.200 2.987
215 HB2 GLN 32 1HB GLN 32 -0.000 7.103 3.311
216 HB3 GLN 32 2HB GLN 32 1.289 7.433 2.161
217 HG2 GLN 32 1HG GLN 32 0.832 5.309 1.041
218 HG3 GLN 32 2HG GLN 32 -0.468 4.989 2.188
219 HE21 GLN 32 1HE2 GLN 32 -2.436 5.772 1.780
220 HE22 GLN 32 2HE2 GLN 32 -2.829 6.846 0.486
221 H LYS 33 H LYS 33 1.606 7.021 5.856
222 HA LYS 33 HA LYS 33 3.702 8.961 5.403
223 HB2 LYS 33 1HB LYS 33 1.867 8.401 7.731
224 HB3 LYS 33 2HB LYS 33 3.140 9.613 7.801
225 HG2 LYS 33 1HG LYS 33 2.094 10.701 5.806
226 HG3 LYS 33 2HG LYS 33 0.745 9.576 5.983
227 HD2 LYS 33 1HD LYS 33 1.656 11.281 8.277
228 HD3 LYS 33 2HD LYS 33 0.547 11.911 7.056
229 HE2 LYS 33 1HE LYS 33 0.092 9.413 8.685
230 HE3 LYS 33 2HE LYS 33 -0.606 10.992 9.044
231 HZ1 LYS 33 3HZ LYS 33 -1.256 10.579 6.439
232 HZ2 LYS 33 1HZ LYS 33 -2.284 10.339 7.761
233 HZ3 LYS 33 2HZ LYS 33 -1.421 9.037 7.114
234 H VAL 34 H VAL 34 4.574 6.254 5.336
235 HA VAL 34 HA VAL 34 6.330 6.209 7.705
236 HB VAL 34 HB VAL 34 5.126 3.882 6.212
237 HG11 VAL 34 1HG1 VAL 34 7.480 3.413 6.599
238 HG12 VAL 34 2HG1 VAL 34 7.303 3.844 8.301
239 HG13 VAL 34 3HG1 VAL 34 6.473 2.427 7.658
240 HG21 VAL 34 3HG2 VAL 34 4.014 3.360 8.192
241 HG22 VAL 34 1HG2 VAL 34 5.094 4.353 9.172
242 HG23 VAL 34 2HG2 VAL 34 3.906 5.119 8.117
243 H HIS 35 H HIS 35 6.016 5.596 4.252
244 HA HIS 35 HA HIS 35 8.881 5.141 3.986
245 HB2 HIS 35 1HB HIS 35 6.914 5.296 1.713
246 HB3 HIS 35 2HB HIS 35 8.448 4.433 1.780
247 HD1 HIS 35 HD1 HIS 35 8.473 2.193 3.172
248 HD2 HIS 35 HD2 HIS 35 4.719 3.878 2.595
249 HE1 HIS 35 HE1 HIS 35 6.827 0.381 3.746
250 H THR 36 H THR 36 7.966 7.734 4.867
251 HA THR 36 HA THR 36 8.075 9.578 2.691
252 HB THR 36 HB THR 36 8.700 10.297 5.545
253 HG1 THR 36 HG1 THR 36 6.820 9.134 5.736
254 HG21 THR 36 3HG2 THR 36 8.448 11.782 3.214
255 HG22 THR 36 1HG2 THR 36 8.408 12.406 4.862
256 HG23 THR 36 2HG2 THR 36 6.903 12.004 4.034
257 H GLY 37 H GLY 37 10.404 8.611 5.207
258 HA2 GLY 37 1HA GLY 37 12.532 10.192 4.790
259 HA3 GLY 37 2HA GLY 37 12.714 8.461 5.032
260 H GLU 38 H GLU 38 14.035 10.641 3.284
261 HA GLU 38 HA GLU 38 13.588 9.672 0.605
262 HB2 GLU 38 1HB GLU 38 15.319 11.761 1.858
263 HB3 GLU 38 2HB GLU 38 15.729 11.176 0.251
264 HG2 GLU 38 1HG GLU 38 12.950 12.088 0.843
265 HG3 GLU 38 2HG GLU 38 14.222 13.265 0.522
266 H ARG 39 H ARG 39 14.110 7.436 0.939
267 HA ARG 39 HA ARG 39 16.446 6.379 1.933
268 HB2 ARG 39 1HB ARG 39 14.481 5.501 -0.121
269 HB3 ARG 39 2HB ARG 39 16.011 4.636 -0.046
270 HG2 ARG 39 1HG ARG 39 15.445 4.540 2.523
271 HG3 ARG 39 2HG ARG 39 13.797 4.757 1.930
272 HD2 ARG 39 1HD ARG 39 13.979 2.462 1.940
273 HD3 ARG 39 2HD ARG 39 14.443 2.841 0.282
274 HE ARG 39 HE ARG 39 16.754 2.810 1.852
275 HH11 ARG 39 1HH1 ARG 39 14.312 0.615 0.695
276 HH12 ARG 39 2HH1 ARG 39 15.367 -0.759 0.684
277 HH21 ARG 39 1HH2 ARG 39 18.153 1.009 1.842
278 HH22 ARG 39 2HH2 ARG 39 17.552 -0.534 1.338
279 HA PRO 40 HA PRO 40 19.754 7.383 -0.768
280 HB2 PRO 40 1HB PRO 40 21.165 5.065 -0.848
281 HB3 PRO 40 2HB PRO 40 21.112 6.108 0.577
282 HG2 PRO 40 1HG PRO 40 19.565 3.612 -0.001
283 HG3 PRO 40 2HG PRO 40 20.353 4.116 1.505
284 HD2 PRO 40 1HD PRO 40 17.689 4.374 1.099
285 HD3 PRO 40 2HD PRO 40 18.618 5.514 2.094
286 H SER 41 H SER 41 17.401 5.162 -1.672
287 HA SER 41 HA SER 41 18.594 4.570 -4.270
288 HB2 SER 41 1HB SER 41 17.488 2.717 -3.159
289 HB3 SER 41 2HB SER 41 16.003 3.655 -2.998
290 HG SER 41 HG SER 41 16.364 2.066 -4.872
291 H GLY 42 H GLY 42 17.690 5.200 -6.235
292 HA2 GLY 42 1HA GLY 42 16.504 7.778 -6.272
293 HA3 GLY 42 2HA GLY 42 16.752 6.736 -7.665
294 HA PRO 43 HA PRO 43 12.207 6.881 -6.060
295 HB2 PRO 43 1HB PRO 43 11.241 9.057 -7.365
296 HB3 PRO 43 2HB PRO 43 11.903 9.134 -5.728
297 HG2 PRO 43 1HG PRO 43 13.205 9.827 -8.333
298 HG3 PRO 43 2HG PRO 43 13.260 10.697 -6.789
299 HD2 PRO 43 1HD PRO 43 15.275 9.097 -7.633
300 HD3 PRO 43 2HD PRO 43 14.872 9.300 -5.916
301 H SER 44 H SER 44 10.225 7.323 -7.762
302 HA SER 44 HA SER 44 11.028 6.185 -10.350
303 HB2 SER 44 1HB SER 44 8.979 4.717 -10.228
304 HB3 SER 44 2HB SER 44 10.260 4.290 -9.094
305 HG SER 44 HG SER 44 8.888 5.901 -7.713
306 H SER 45 H SER 45 8.691 7.979 -8.451
307 HA SER 45 HA SER 45 7.899 9.450 -10.828
308 HB2 SER 45 1HB SER 45 6.290 7.576 -10.736
309 HB3 SER 45 2HB SER 45 5.844 8.052 -9.097
310 HG SER 45 HG SER 45 4.966 9.029 -11.445
311 H GLY 46 H GLY 46 7.798 11.547 -10.362
312 HA2 GLY 46 1HA GLY 46 6.984 12.375 -7.664
313 HA3 GLY 46 2HA GLY 46 8.533 12.929 -8.282
Start of MODEL 2
1 H1 GLY 1 H GLY 1 16.663 -19.665 -6.695
2 HA2 GLY 1 1HA GLY 1 14.283 -19.729 -6.770
3 HA3 GLY 1 2HA GLY 1 14.761 -21.390 -6.448
4 H SER 2 H SER 2 12.873 -18.841 -5.414
5 HA SER 2 HA SER 2 11.908 -20.287 -3.158
6 HB2 SER 2 1HB SER 2 14.006 -19.267 -2.225
7 HB3 SER 2 2HB SER 2 13.306 -17.678 -2.535
8 HG SER 2 HG SER 2 11.811 -19.539 -1.075
9 H SER 3 H SER 3 10.034 -19.315 -2.209
10 HA SER 3 HA SER 3 8.961 -17.002 -3.669
11 HB2 SER 3 1HB SER 3 7.663 -19.692 -3.280
12 HB3 SER 3 2HB SER 3 6.700 -18.240 -3.555
13 HG SER 3 HG SER 3 7.606 -18.010 -5.545
14 H GLY 4 H GLY 4 6.915 -16.169 -2.570
15 HA2 GLY 4 1HA GLY 4 6.242 -16.726 0.067
16 HA3 GLY 4 2HA GLY 4 7.546 -15.550 0.127
17 H SER 5 H SER 5 4.207 -16.075 -0.470
18 HA SER 5 HA SER 5 3.753 -13.455 -1.617
19 HB2 SER 5 1HB SER 5 2.402 -15.500 -2.227
20 HB3 SER 5 2HB SER 5 1.683 -15.420 -0.618
21 HG SER 5 HG SER 5 0.309 -14.199 -1.694
22 H SER 6 H SER 6 2.358 -11.866 -0.637
23 HA SER 6 HA SER 6 2.671 -11.802 2.284
24 HB2 SER 6 1HB SER 6 2.119 -9.498 0.398
25 HB3 SER 6 2HB SER 6 2.502 -9.382 2.116
26 HG SER 6 HG SER 6 4.174 -9.543 0.026
27 H GLY 7 H GLY 7 0.851 -12.922 2.933
28 HA2 GLY 7 1HA GLY 7 -1.347 -13.176 3.543
29 HA3 GLY 7 2HA GLY 7 -1.535 -11.462 3.206
30 H THR 8 H THR 8 -2.372 -14.581 2.265
31 HA THR 8 HA THR 8 -2.839 -14.132 -0.510
32 HB THR 8 HB THR 8 -4.261 -16.191 -0.361
33 HG1 THR 8 HG1 THR 8 -5.000 -16.554 1.594
34 HG21 THR 8 3HG2 THR 8 -1.584 -16.540 0.981
35 HG22 THR 8 1HG2 THR 8 -1.770 -16.208 -0.740
36 HG23 THR 8 2HG2 THR 8 -2.431 -17.691 -0.051
37 H GLY 9 H GLY 9 -4.981 -14.141 -1.531
38 HA2 GLY 9 1HA GLY 9 -7.415 -13.860 -1.125
39 HA3 GLY 9 2HA GLY 9 -6.967 -12.705 0.122
40 H GLU 10 H GLU 10 -8.361 -11.206 -1.005
41 HA GLU 10 HA GLU 10 -6.956 -9.914 -3.243
42 HB2 GLU 10 1HB GLU 10 -9.892 -10.549 -3.020
43 HB3 GLU 10 2HB GLU 10 -9.293 -9.285 -4.086
44 HG2 GLU 10 1HG GLU 10 -7.849 -10.995 -5.182
45 HG3 GLU 10 2HG GLU 10 -8.657 -12.221 -4.207
46 H LYS 11 H LYS 11 -6.500 -7.856 -2.851
47 HA LYS 11 HA LYS 11 -8.128 -6.409 -0.865
48 HB2 LYS 11 1HB LYS 11 -5.936 -5.084 -0.502
49 HB3 LYS 11 2HB LYS 11 -6.089 -6.676 0.229
50 HG2 LYS 11 1HG LYS 11 -4.843 -7.612 -1.715
51 HG3 LYS 11 2HG LYS 11 -4.572 -5.958 -2.268
52 HD2 LYS 11 1HD LYS 11 -3.673 -5.638 0.185
53 HD3 LYS 11 2HD LYS 11 -3.445 -7.386 0.094
54 HE2 LYS 11 1HE LYS 11 -2.248 -6.925 -2.120
55 HE3 LYS 11 2HE LYS 11 -2.211 -5.239 -1.606
56 HZ1 LYS 11 3HZ LYS 11 -0.598 -7.436 -0.741
57 HZ2 LYS 11 1HZ LYS 11 -1.302 -6.618 0.562
58 HZ3 LYS 11 2HZ LYS 11 -0.347 -5.774 -0.549
59 HA PRO 12 HA PRO 12 -8.900 -3.433 -4.016
60 HB2 PRO 12 1HB PRO 12 -9.501 -1.296 -2.453
61 HB3 PRO 12 2HB PRO 12 -10.596 -2.667 -2.668
62 HG2 PRO 12 1HG PRO 12 -8.716 -2.080 -0.414
63 HG3 PRO 12 2HG PRO 12 -10.385 -2.676 -0.353
64 HD2 PRO 12 1HD PRO 12 -8.243 -4.308 -0.066
65 HD3 PRO 12 2HD PRO 12 -9.760 -4.846 -0.817
66 H TYR 13 H TYR 13 -6.795 -2.459 -1.327
67 HA TYR 13 HA TYR 13 -5.333 -0.703 -3.183
68 HB2 TYR 13 1HB TYR 13 -5.304 -0.647 -0.159
69 HB3 TYR 13 2HB TYR 13 -4.545 0.518 -1.238
70 HD1 TYR 13 HD2 TYR 13 -6.467 1.288 -3.144
71 HD2 TYR 13 HD1 TYR 13 -7.116 0.257 0.933
72 HE1 TYR 13 HE2 TYR 13 -8.521 2.641 -3.135
73 HE2 TYR 13 HE1 TYR 13 -9.172 1.606 0.953
74 HH TYR 13 HH TYR 13 -10.882 2.382 -0.995
75 H LYS 14 H LYS 14 -2.939 -0.432 -2.303
76 HA LYS 14 HA LYS 14 -1.664 -2.669 -1.146
77 HB2 LYS 14 1HB LYS 14 -0.552 -3.610 -3.098
78 HB3 LYS 14 2HB LYS 14 -2.298 -3.743 -3.268
79 HG2 LYS 14 1HG LYS 14 -2.220 -1.667 -4.674
80 HG3 LYS 14 2HG LYS 14 -0.460 -1.802 -4.643
81 HD2 LYS 14 1HD LYS 14 -0.462 -3.760 -5.891
82 HD3 LYS 14 2HD LYS 14 -2.140 -4.132 -5.487
83 HE2 LYS 14 1HE LYS 14 -1.553 -1.653 -7.030
84 HE3 LYS 14 2HE LYS 14 -1.472 -3.205 -7.863
85 HZ1 LYS 14 3HZ LYS 14 -3.794 -3.433 -6.571
86 HZ2 LYS 14 1HZ LYS 14 -3.654 -2.844 -8.150
87 HZ3 LYS 14 2HZ LYS 14 -3.775 -1.766 -6.853
88 H CYS 15 H CYS 15 0.113 -1.860 -0.262
89 HA CYS 15 HA CYS 15 1.092 0.720 -0.915
90 HB2 CYS 15 1HB CYS 15 1.208 -0.513 1.338
91 HB3 CYS 15 2HB CYS 15 2.616 -1.335 0.675
92 H GLU 16 H GLU 16 2.142 1.147 -2.742
93 HA GLU 16 HA GLU 16 3.741 -0.870 -4.062
94 HB2 GLU 16 1HB GLU 16 4.021 0.800 -5.826
95 HB3 GLU 16 2HB GLU 16 2.327 0.628 -5.388
96 HG2 GLU 16 1HG GLU 16 2.494 2.895 -5.506
97 HG3 GLU 16 2HG GLU 16 2.854 2.642 -3.799
98 H LYS 17 H LYS 17 4.684 -0.072 -1.490
99 HA LYS 17 HA LYS 17 7.280 1.085 -2.259
100 HB2 LYS 17 1HB LYS 17 5.633 1.655 0.203
101 HB3 LYS 17 2HB LYS 17 7.350 2.025 0.105
102 HG2 LYS 17 1HG LYS 17 6.900 3.474 -1.836
103 HG3 LYS 17 2HG LYS 17 5.175 3.146 -1.651
104 HD2 LYS 17 1HD LYS 17 5.291 4.081 0.642
105 HD3 LYS 17 2HD LYS 17 6.982 4.498 0.353
106 HE2 LYS 17 1HE LYS 17 6.433 6.106 -1.248
107 HE3 LYS 17 2HE LYS 17 4.817 5.446 -1.491
108 HZ1 LYS 17 3HZ LYS 17 4.012 6.494 0.340
109 HZ2 LYS 17 1HZ LYS 17 5.227 7.599 -0.064
110 HZ3 LYS 17 2HZ LYS 17 5.488 6.468 1.166
111 H CYS 18 H CYS 18 5.508 -1.013 -0.037
112 HA CYS 18 HA CYS 18 8.020 -2.472 0.462
113 HB2 CYS 18 1HB CYS 18 7.042 -3.136 2.654
114 HB3 CYS 18 2HB CYS 18 7.316 -1.403 2.512
115 H GLY 19 H GLY 19 4.484 -2.780 0.254
116 HA2 GLY 19 1HA GLY 19 3.667 -4.487 -1.337
117 HA3 GLY 19 2HA GLY 19 4.897 -5.555 -0.677
118 H LYS 20 H LYS 20 2.638 -3.395 1.002
119 HA LYS 20 HA LYS 20 1.713 -5.710 2.552
120 HB2 LYS 20 1HB LYS 20 1.955 -2.792 3.106
121 HB3 LYS 20 2HB LYS 20 0.671 -3.677 3.919
122 HG2 LYS 20 1HG LYS 20 3.482 -4.692 3.986
123 HG3 LYS 20 2HG LYS 20 2.960 -3.410 5.082
124 HD2 LYS 20 1HD LYS 20 1.361 -4.797 6.109
125 HD3 LYS 20 2HD LYS 20 1.443 -5.991 4.812
126 HE2 LYS 20 1HE LYS 20 2.594 -6.806 6.788
127 HE3 LYS 20 2HE LYS 20 3.741 -6.536 5.477
128 HZ1 LYS 20 3HZ LYS 20 4.877 -5.430 7.038
129 HZ2 LYS 20 1HZ LYS 20 3.532 -5.225 8.043
130 HZ3 LYS 20 2HZ LYS 20 3.785 -4.173 6.743
131 H GLY 21 H GLY 21 -0.650 -5.403 3.357
132 HA2 GLY 21 1HA GLY 21 -2.318 -4.483 1.101
133 HA3 GLY 21 2HA GLY 21 -2.583 -6.051 1.850
134 H TYR 22 H TYR 22 -3.996 -3.242 1.634
135 HA TYR 22 HA TYR 22 -5.071 -3.380 4.355
136 HB2 TYR 22 1HB TYR 22 -4.361 -0.766 3.012
137 HB3 TYR 22 2HB TYR 22 -5.011 -0.980 4.634
138 HD1 TYR 22 HD1 TYR 22 -3.578 -2.167 6.358
139 HD2 TYR 22 HD2 TYR 22 -2.042 -0.812 2.629
140 HE1 TYR 22 HE1 TYR 22 -1.294 -2.280 7.264
141 HE2 TYR 22 HE2 TYR 22 0.246 -0.922 3.524
142 HH TYR 22 HH TYR 22 0.893 -1.365 6.863
143 H ASN 23 H ASN 23 -7.212 -3.503 4.323
144 HA ASN 23 HA ASN 23 -8.665 -3.220 1.873
145 HB2 ASN 23 1HB ASN 23 -9.710 -3.649 4.681
146 HB3 ASN 23 2HB ASN 23 -10.615 -3.885 3.188
147 HD21 ASN 23 1HD2 ASN 23 -8.428 -5.236 5.422
148 HD22 ASN 23 2HD2 ASN 23 -8.201 -6.757 4.634
149 H SER 24 H SER 24 -8.441 -1.390 4.890
150 HA SER 24 HA SER 24 -10.332 0.595 3.931
151 HB2 SER 24 1HB SER 24 -8.935 0.061 6.517
152 HB3 SER 24 2HB SER 24 -9.515 1.696 6.199
153 HG SER 24 HG SER 24 -11.330 0.904 6.922
154 H LYS 25 H LYS 25 -9.773 2.340 2.822
155 HA LYS 25 HA LYS 25 -7.190 2.893 1.955
156 HB2 LYS 25 1HB LYS 25 -8.111 5.127 1.296
157 HB3 LYS 25 2HB LYS 25 -9.063 3.758 0.738
158 HG2 LYS 25 1HG LYS 25 -10.716 5.133 1.496
159 HG3 LYS 25 2HG LYS 25 -10.400 4.188 2.953
160 HD2 LYS 25 1HD LYS 25 -10.359 6.299 3.834
161 HD3 LYS 25 2HD LYS 25 -8.656 6.116 3.407
162 HE2 LYS 25 1HE LYS 25 -10.595 7.279 1.446
163 HE3 LYS 25 2HE LYS 25 -9.922 8.280 2.731
164 HZ1 LYS 25 3HZ LYS 25 -7.729 7.084 1.743
165 HZ2 LYS 25 1HZ LYS 25 -8.277 8.615 1.275
166 HZ3 LYS 25 2HZ LYS 25 -8.664 7.257 0.344
167 H PHE 26 H PHE 26 -8.930 4.043 4.776
168 HA PHE 26 HA PHE 26 -7.297 6.173 5.518
169 HB2 PHE 26 1HB PHE 26 -9.484 5.569 6.572
170 HB3 PHE 26 2HB PHE 26 -8.670 4.245 7.399
171 HD1 PHE 26 HD2 PHE 26 -8.742 7.928 7.044
172 HD2 PHE 26 HD1 PHE 26 -7.510 4.604 9.399
173 HE1 PHE 26 HE2 PHE 26 -8.126 9.455 8.871
174 HE2 PHE 26 HE1 PHE 26 -6.893 6.126 11.231
175 HZ PHE 26 HZ PHE 26 -7.199 8.556 10.968
176 H ASN 27 H ASN 27 -6.986 2.717 6.219
177 HA ASN 27 HA ASN 27 -4.814 2.855 7.973
178 HB2 ASN 27 1HB ASN 27 -5.815 0.724 6.103
179 HB3 ASN 27 2HB ASN 27 -4.345 0.480 7.042
180 HD21 ASN 27 1HD2 ASN 27 -4.576 0.901 9.412
181 HD22 ASN 27 2HD2 ASN 27 -6.031 0.358 10.170
182 H LEU 28 H LEU 28 -4.829 2.321 4.451
183 HA LEU 28 HA LEU 28 -2.030 2.276 4.151
184 HB2 LEU 28 1HB LEU 28 -3.564 1.403 2.468
185 HB3 LEU 28 2HB LEU 28 -4.166 3.031 2.161
186 HG LEU 28 HG LEU 28 -1.625 3.479 1.582
187 HD11 LEU 28 1HD1 LEU 28 -0.697 1.497 0.397
188 HD12 LEU 28 2HD1 LEU 28 -1.963 0.519 1.138
189 HD13 LEU 28 3HD1 LEU 28 -0.763 1.322 2.151
190 HD21 LEU 28 3HD2 LEU 28 -3.146 1.966 -0.486
191 HD22 LEU 28 1HD2 LEU 28 -2.248 3.478 -0.626
192 HD23 LEU 28 2HD2 LEU 28 -3.828 3.459 0.159
193 H ASP 29 H ASP 29 -4.300 4.875 3.236
194 HA ASP 29 HA ASP 29 -2.680 6.872 2.508
195 HB2 ASP 29 1HB ASP 29 -4.937 7.445 2.572
196 HB3 ASP 29 2HB ASP 29 -5.125 6.922 4.243
197 H MET 30 H MET 30 -3.154 5.814 5.844
198 HA MET 30 HA MET 30 -1.412 7.839 6.918
199 HB2 MET 30 1HB MET 30 -2.730 5.405 8.117
200 HB3 MET 30 2HB MET 30 -1.655 6.451 9.035
201 HG2 MET 30 1HG MET 30 -3.225 8.350 8.291
202 HG3 MET 30 2HG MET 30 -4.355 7.054 7.905
203 HE1 MET 30 3HE MET 30 -2.375 8.918 10.726
204 HE2 MET 30 1HE MET 30 -3.917 9.638 10.263
205 HE3 MET 30 2HE MET 30 -3.708 8.968 11.881
206 H HIS 31 H HIS 31 -1.229 4.281 6.704
207 HA HIS 31 HA HIS 31 1.284 3.842 7.660
208 HB2 HIS 31 1HB HIS 31 0.013 1.948 7.047
209 HB3 HIS 31 2HB HIS 31 -0.193 2.518 5.394
210 HD1 HIS 31 HD1 HIS 31 2.407 1.003 7.668
211 HD2 HIS 31 HD2 HIS 31 1.769 1.737 3.628
212 HE1 HIS 31 HE1 HIS 31 4.245 -0.220 6.464
213 H GLN 32 H GLN 32 0.433 5.517 4.782
214 HA GLN 32 HA GLN 32 2.721 5.194 3.226
215 HB2 GLN 32 1HB GLN 32 0.730 7.423 3.507
216 HB3 GLN 32 2HB GLN 32 2.121 7.597 2.446
217 HG2 GLN 32 1HG GLN 32 1.393 5.475 1.318
218 HG3 GLN 32 2HG GLN 32 -0.095 5.580 2.257
219 HE21 GLN 32 1HE2 GLN 32 -1.469 5.905 0.573
220 HE22 GLN 32 2HE2 GLN 32 -1.457 7.321 -0.415
221 H LYS 33 H LYS 33 2.060 7.448 5.868
222 HA LYS 33 HA LYS 33 4.371 9.008 5.663
223 HB2 LYS 33 1HB LYS 33 3.865 9.820 7.810
224 HB3 LYS 33 2HB LYS 33 2.305 9.385 7.126
225 HG2 LYS 33 1HG LYS 33 2.130 7.464 8.457
226 HG3 LYS 33 2HG LYS 33 3.843 7.502 8.882
227 HD2 LYS 33 1HD LYS 33 3.564 9.243 10.385
228 HD3 LYS 33 2HD LYS 33 2.065 9.788 9.629
229 HE2 LYS 33 1HE LYS 33 0.792 8.235 10.718
230 HE3 LYS 33 2HE LYS 33 2.111 7.071 10.828
231 HZ1 LYS 33 3HZ LYS 33 1.213 8.712 12.829
232 HZ2 LYS 33 1HZ LYS 33 2.662 9.429 12.329
233 HZ3 LYS 33 2HZ LYS 33 2.647 7.815 12.834
234 H VAL 34 H VAL 34 4.012 5.750 6.549
235 HA VAL 34 HA VAL 34 6.096 5.422 8.403
236 HB VAL 34 HB VAL 34 5.111 3.442 6.343
237 HG11 VAL 34 1HG1 VAL 34 5.939 1.787 8.078
238 HG12 VAL 34 2HG1 VAL 34 7.176 2.641 7.155
239 HG13 VAL 34 3HG1 VAL 34 6.807 3.137 8.807
240 HG21 VAL 34 3HG2 VAL 34 3.444 4.477 8.006
241 HG22 VAL 34 1HG2 VAL 34 3.512 2.719 7.880
242 HG23 VAL 34 2HG2 VAL 34 4.299 3.538 9.229
243 H HIS 35 H HIS 35 6.077 5.280 4.862
244 HA HIS 35 HA HIS 35 8.953 4.850 4.798
245 HB2 HIS 35 1HB HIS 35 7.152 5.299 2.422
246 HB3 HIS 35 2HB HIS 35 8.716 4.490 2.462
247 HD1 HIS 35 HD1 HIS 35 8.738 2.109 3.697
248 HD2 HIS 35 HD2 HIS 35 4.994 3.660 2.780
249 HE1 HIS 35 HE1 HIS 35 7.147 0.167 3.859
250 H THR 36 H THR 36 9.508 6.881 5.805
251 HA THR 36 HA THR 36 9.584 9.070 3.849
252 HB THR 36 HB THR 36 7.821 9.656 5.426
253 HG1 THR 36 HG1 THR 36 8.753 11.522 4.958
254 HG21 THR 36 3HG2 THR 36 8.114 9.786 7.759
255 HG22 THR 36 1HG2 THR 36 9.866 9.634 7.632
256 HG23 THR 36 2HG2 THR 36 8.833 8.243 7.300
257 H GLY 37 H GLY 37 11.657 9.413 3.398
258 HA2 GLY 37 1HA GLY 37 13.729 8.698 5.295
259 HA3 GLY 37 2HA GLY 37 13.969 9.279 3.653
260 H GLU 38 H GLU 38 12.736 11.678 3.613
261 HA GLU 38 HA GLU 38 13.884 13.205 5.844
262 HB2 GLU 38 1HB GLU 38 14.331 13.672 2.900
263 HB3 GLU 38 2HB GLU 38 14.591 14.927 4.103
264 HG2 GLU 38 1HG GLU 38 16.703 14.076 3.865
265 HG3 GLU 38 2HG GLU 38 16.107 13.149 5.240
266 H ARG 39 H ARG 39 12.228 14.205 6.771
267 HA ARG 39 HA ARG 39 10.256 15.538 5.039
268 HB2 ARG 39 1HB ARG 39 9.248 13.534 6.033
269 HB3 ARG 39 2HB ARG 39 9.695 14.098 7.638
270 HG2 ARG 39 1HG ARG 39 8.091 15.758 7.647
271 HG3 ARG 39 2HG ARG 39 7.976 15.798 5.887
272 HD2 ARG 39 1HD ARG 39 6.947 13.546 5.950
273 HD3 ARG 39 2HD ARG 39 6.978 13.615 7.712
274 HE ARG 39 HE ARG 39 5.076 14.843 5.995
275 HH11 ARG 39 1HH1 ARG 39 6.786 15.266 8.998
276 HH12 ARG 39 2HH1 ARG 39 5.561 16.267 9.705
277 HH21 ARG 39 1HH2 ARG 39 3.457 16.160 6.915
278 HH22 ARG 39 2HH2 ARG 39 3.668 16.774 8.520
279 HA PRO 40 HA PRO 40 12.210 18.642 7.843
280 HB2 PRO 40 1HB PRO 40 12.318 20.595 5.960
281 HB3 PRO 40 2HB PRO 40 13.574 19.364 6.140
282 HG2 PRO 40 1HG PRO 40 11.302 19.481 4.194
283 HG3 PRO 40 2HG PRO 40 12.993 19.027 3.914
284 HD2 PRO 40 1HD PRO 40 11.021 17.194 4.198
285 HD3 PRO 40 2HD PRO 40 12.688 16.893 4.731
286 H SER 41 H SER 41 10.941 19.806 9.136
287 HA SER 41 HA SER 41 8.514 21.033 8.007
288 HB2 SER 41 1HB SER 41 7.685 19.205 9.266
289 HB3 SER 41 2HB SER 41 8.830 19.486 10.577
290 HG SER 41 HG SER 41 6.988 21.493 9.910
291 H GLY 42 H GLY 42 10.984 21.132 10.534
292 HA2 GLY 42 1HA GLY 42 11.665 22.848 11.921
293 HA3 GLY 42 2HA GLY 42 11.609 23.772 10.427
294 HA PRO 43 HA PRO 43 7.427 24.466 12.809
295 HB2 PRO 43 1HB PRO 43 7.517 23.886 15.460
296 HB3 PRO 43 2HB PRO 43 7.005 22.716 14.237
297 HG2 PRO 43 1HG PRO 43 9.661 23.006 15.587
298 HG3 PRO 43 2HG PRO 43 8.742 21.532 15.230
299 HD2 PRO 43 1HD PRO 43 10.824 22.356 13.707
300 HD3 PRO 43 2HD PRO 43 9.434 21.484 13.032
301 H SER 44 H SER 44 6.820 26.062 14.593
302 HA SER 44 HA SER 44 8.501 28.295 14.458
303 HB2 SER 44 1HB SER 44 6.982 29.333 16.064
304 HB3 SER 44 2HB SER 44 6.062 28.420 14.868
305 HG SER 44 HG SER 44 5.265 27.332 16.464
306 H SER 45 H SER 45 7.921 26.026 17.131
307 HA SER 45 HA SER 45 10.540 26.756 18.227
308 HB2 SER 45 1HB SER 45 8.000 26.566 19.866
309 HB3 SER 45 2HB SER 45 9.622 26.814 20.513
310 HG SER 45 HG SER 45 9.501 28.696 18.863
311 H GLY 46 H GLY 46 11.362 25.158 19.789
312 HA2 GLY 46 1HA GLY 46 11.493 22.612 18.862
313 HA3 GLY 46 2HA GLY 46 11.694 23.007 20.563
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -3.663 -28.503 -1.164
2 HA2 GLY 1 1HA GLY 1 -3.214 -25.887 0.034
3 HA3 GLY 1 2HA GLY 1 -1.824 -26.620 -0.752
4 H SER 2 H SER 2 -5.280 -26.470 -1.600
5 HA SER 2 HA SER 2 -5.102 -26.399 -4.299
6 HB2 SER 2 1HB SER 2 -7.254 -26.403 -3.190
7 HB3 SER 2 2HB SER 2 -6.978 -24.777 -2.563
8 HG SER 2 HG SER 2 -8.025 -24.249 -4.323
9 H SER 3 H SER 3 -5.298 -24.621 -5.865
10 HA SER 3 HA SER 3 -3.178 -22.994 -6.065
11 HB2 SER 3 1HB SER 3 -6.004 -22.379 -6.951
12 HB3 SER 3 2HB SER 3 -4.595 -21.452 -7.466
13 HG SER 3 HG SER 3 -4.595 -24.241 -7.770
14 H GLY 4 H GLY 4 -6.264 -21.964 -4.601
15 HA2 GLY 4 1HA GLY 4 -5.291 -20.650 -2.413
16 HA3 GLY 4 2HA GLY 4 -5.162 -19.466 -3.706
17 H SER 5 H SER 5 -7.042 -20.354 -1.223
18 HA SER 5 HA SER 5 -9.616 -19.966 -2.526
19 HB2 SER 5 1HB SER 5 -9.025 -20.344 0.418
20 HB3 SER 5 2HB SER 5 -10.595 -20.485 -0.373
21 HG SER 5 HG SER 5 -8.364 -22.201 -0.540
22 H SER 6 H SER 6 -9.362 -17.803 -3.220
23 HA SER 6 HA SER 6 -10.041 -15.865 -1.174
24 HB2 SER 6 1HB SER 6 -7.471 -15.778 -2.724
25 HB3 SER 6 2HB SER 6 -8.250 -14.279 -2.219
26 HG SER 6 HG SER 6 -7.471 -16.415 -0.518
27 H GLY 7 H GLY 7 -11.600 -14.586 -1.920
28 HA2 GLY 7 1HA GLY 7 -12.414 -14.742 -4.667
29 HA3 GLY 7 2HA GLY 7 -13.168 -13.774 -3.409
30 H THR 8 H THR 8 -12.612 -13.025 -6.153
31 HA THR 8 HA THR 8 -10.347 -11.329 -6.289
32 HB THR 8 HB THR 8 -12.895 -11.163 -7.910
33 HG1 THR 8 HG1 THR 8 -10.471 -12.437 -8.660
34 HG21 THR 8 3HG2 THR 8 -10.512 -9.564 -7.868
35 HG22 THR 8 1HG2 THR 8 -11.956 -9.381 -8.863
36 HG23 THR 8 2HG2 THR 8 -10.634 -10.413 -9.409
37 H GLY 9 H GLY 9 -10.292 -9.970 -4.502
38 HA2 GLY 9 1HA GLY 9 -10.916 -7.468 -4.435
39 HA3 GLY 9 2HA GLY 9 -12.540 -8.094 -4.193
40 H GLU 10 H GLU 10 -9.281 -8.670 -2.854
41 HA GLU 10 HA GLU 10 -10.510 -8.694 -0.177
42 HB2 GLU 10 1HB GLU 10 -9.314 -10.788 -1.091
43 HB3 GLU 10 2HB GLU 10 -7.828 -9.885 -0.833
44 HG2 GLU 10 1HG GLU 10 -8.666 -11.494 0.998
45 HG3 GLU 10 2HG GLU 10 -8.046 -9.910 1.458
46 H LYS 11 H LYS 11 -7.539 -7.781 -1.910
47 HA LYS 11 HA LYS 11 -7.160 -5.630 0.069
48 HB2 LYS 11 1HB LYS 11 -5.025 -7.137 -1.453
49 HB3 LYS 11 2HB LYS 11 -4.740 -5.811 -0.333
50 HG2 LYS 11 1HG LYS 11 -6.207 -8.231 0.607
51 HG3 LYS 11 2HG LYS 11 -4.450 -8.281 0.440
52 HD2 LYS 11 1HD LYS 11 -4.179 -6.478 1.981
53 HD3 LYS 11 2HD LYS 11 -5.915 -6.158 2.000
54 HE2 LYS 11 1HE LYS 11 -5.330 -7.329 4.010
55 HE3 LYS 11 2HE LYS 11 -6.262 -8.414 2.980
56 HZ1 LYS 11 3HZ LYS 11 -4.593 -9.848 2.993
57 HZ2 LYS 11 1HZ LYS 11 -3.748 -8.855 4.070
58 HZ3 LYS 11 2HZ LYS 11 -3.516 -8.685 2.403
59 HA PRO 12 HA PRO 12 -7.851 -3.673 -4.061
60 HB2 PRO 12 1HB PRO 12 -9.363 -1.639 -3.088
61 HB3 PRO 12 2HB PRO 12 -10.037 -3.215 -3.521
62 HG2 PRO 12 1HG PRO 12 -9.285 -2.152 -0.825
63 HG3 PRO 12 2HG PRO 12 -10.720 -3.077 -1.302
64 HD2 PRO 12 1HD PRO 12 -8.597 -4.217 -0.068
65 HD3 PRO 12 2HD PRO 12 -9.597 -5.089 -1.247
66 H TYR 13 H TYR 13 -6.734 -2.526 -0.962
67 HA TYR 13 HA TYR 13 -5.299 -0.329 -2.301
68 HB2 TYR 13 1HB TYR 13 -6.230 -0.620 0.557
69 HB3 TYR 13 2HB TYR 13 -5.111 0.634 0.033
70 HD1 TYR 13 HD2 TYR 13 -5.873 2.409 -1.506
71 HD2 TYR 13 HD1 TYR 13 -8.571 -0.478 0.072
72 HE1 TYR 13 HE2 TYR 13 -7.769 3.839 -2.147
73 HE2 TYR 13 HE1 TYR 13 -10.474 0.943 -0.566
74 HH TYR 13 HH TYR 13 -11.086 2.991 -1.281
75 H LYS 14 H LYS 14 -3.487 -1.471 -2.932
76 HA LYS 14 HA LYS 14 -1.891 -2.707 -0.792
77 HB2 LYS 14 1HB LYS 14 -0.770 -3.987 -2.482
78 HB3 LYS 14 2HB LYS 14 -2.501 -4.131 -2.756
79 HG2 LYS 14 1HG LYS 14 -2.138 -2.159 -4.407
80 HG3 LYS 14 2HG LYS 14 -0.448 -2.667 -4.351
81 HD2 LYS 14 1HD LYS 14 -1.079 -4.909 -5.054
82 HD3 LYS 14 2HD LYS 14 -2.783 -4.450 -5.046
83 HE2 LYS 14 1HE LYS 14 -1.946 -4.409 -7.310
84 HE3 LYS 14 2HE LYS 14 -2.303 -2.765 -6.784
85 HZ1 LYS 14 3HZ LYS 14 0.122 -3.798 -7.740
86 HZ2 LYS 14 1HZ LYS 14 0.356 -3.314 -6.136
87 HZ3 LYS 14 2HZ LYS 14 -0.232 -2.211 -7.275
88 H CYS 15 H CYS 15 0.474 -2.424 -0.949
89 HA CYS 15 HA CYS 15 1.147 0.271 -1.934
90 HB2 CYS 15 1HB CYS 15 1.144 -0.010 0.557
91 HB3 CYS 15 2HB CYS 15 2.436 -1.193 0.377
92 H GLU 16 H GLU 16 3.180 0.601 -2.882
93 HA GLU 16 HA GLU 16 4.400 -1.853 -3.941
94 HB2 GLU 16 1HB GLU 16 4.329 0.980 -4.967
95 HB3 GLU 16 2HB GLU 16 5.414 -0.233 -5.631
96 HG2 GLU 16 1HG GLU 16 2.407 -0.325 -5.607
97 HG3 GLU 16 2HG GLU 16 3.450 -0.061 -7.003
98 H LYS 17 H LYS 17 5.066 1.099 -2.193
99 HA LYS 17 HA LYS 17 7.836 1.174 -2.291
100 HB2 LYS 17 1HB LYS 17 5.782 2.103 -0.350
101 HB3 LYS 17 2HB LYS 17 7.453 2.069 0.196
102 HG2 LYS 17 1HG LYS 17 8.127 3.577 -1.518
103 HG3 LYS 17 2HG LYS 17 6.554 3.464 -2.313
104 HD2 LYS 17 1HD LYS 17 6.627 4.361 0.521
105 HD3 LYS 17 2HD LYS 17 7.178 5.489 -0.719
106 HE2 LYS 17 1HE LYS 17 4.963 6.020 -0.701
107 HE3 LYS 17 2HE LYS 17 4.931 4.720 -1.891
108 HZ1 LYS 17 3HZ LYS 17 4.639 3.397 0.443
109 HZ2 LYS 17 1HZ LYS 17 3.369 3.852 -0.578
110 HZ3 LYS 17 2HZ LYS 17 3.780 4.822 0.744
111 H CYS 18 H CYS 18 5.727 -0.639 -0.093
112 HA CYS 18 HA CYS 18 8.093 -2.089 0.888
113 HB2 CYS 18 1HB CYS 18 6.541 -2.798 2.762
114 HB3 CYS 18 2HB CYS 18 6.959 -1.089 2.724
115 H GLY 19 H GLY 19 4.734 -2.544 -0.179
116 HA2 GLY 19 1HA GLY 19 4.223 -4.276 -1.783
117 HA3 GLY 19 2HA GLY 19 5.497 -5.250 -1.064
118 H LYS 20 H LYS 20 2.971 -3.445 0.624
119 HA LYS 20 HA LYS 20 2.000 -6.005 1.710
120 HB2 LYS 20 1HB LYS 20 2.341 -3.290 2.899
121 HB3 LYS 20 2HB LYS 20 1.024 -4.295 3.489
122 HG2 LYS 20 1HG LYS 20 2.784 -4.741 4.943
123 HG3 LYS 20 2HG LYS 20 2.798 -6.106 3.824
124 HD2 LYS 20 1HD LYS 20 4.542 -4.862 2.501
125 HD3 LYS 20 2HD LYS 20 4.624 -3.709 3.835
126 HE2 LYS 20 1HE LYS 20 6.347 -5.190 4.314
127 HE3 LYS 20 2HE LYS 20 5.021 -5.789 5.309
128 HZ1 LYS 20 3HZ LYS 20 5.823 -7.692 4.315
129 HZ2 LYS 20 1HZ LYS 20 6.141 -6.933 2.837
130 HZ3 LYS 20 2HZ LYS 20 4.547 -7.282 3.283
131 H GLY 21 H GLY 21 -0.369 -5.718 2.569
132 HA2 GLY 21 1HA GLY 21 -1.930 -4.346 0.468
133 HA3 GLY 21 2HA GLY 21 -2.335 -5.961 1.030
134 H TYR 22 H TYR 22 -4.141 -3.815 1.048
135 HA TYR 22 HA TYR 22 -4.784 -3.762 3.881
136 HB2 TYR 22 1HB TYR 22 -4.431 -1.238 2.253
137 HB3 TYR 22 2HB TYR 22 -5.216 -1.299 3.827
138 HD1 TYR 22 HD1 TYR 22 -3.814 -2.236 5.788
139 HD2 TYR 22 HD2 TYR 22 -2.130 -0.909 2.113
140 HE1 TYR 22 HE1 TYR 22 -1.632 -1.967 6.892
141 HE2 TYR 22 HE2 TYR 22 0.057 -0.637 3.206
142 HH TYR 22 HH TYR 22 1.160 -0.655 5.147
143 H ASN 23 H ASN 23 -6.958 -3.647 4.289
144 HA ASN 23 HA ASN 23 -8.698 -4.137 2.039
145 HB2 ASN 23 1HB ASN 23 -10.439 -4.215 3.990
146 HB3 ASN 23 2HB ASN 23 -9.257 -5.510 3.827
147 HD21 ASN 23 1HD2 ASN 23 -9.679 -5.910 6.074
148 HD22 ASN 23 2HD2 ASN 23 -8.877 -4.967 7.279
149 H SER 24 H SER 24 -8.343 -1.651 4.539
150 HA SER 24 HA SER 24 -10.342 -0.005 3.160
151 HB2 SER 24 1HB SER 24 -9.255 -0.058 5.948
152 HB3 SER 24 2HB SER 24 -9.908 1.453 5.316
153 HG SER 24 HG SER 24 -11.417 -0.018 6.436
154 H LYS 25 H LYS 25 -9.853 2.385 3.123
155 HA LYS 25 HA LYS 25 -7.271 2.760 1.871
156 HB2 LYS 25 1HB LYS 25 -8.123 4.975 1.265
157 HB3 LYS 25 2HB LYS 25 -9.272 3.715 0.834
158 HG2 LYS 25 1HG LYS 25 -10.347 4.265 3.130
159 HG3 LYS 25 2HG LYS 25 -9.444 5.775 2.988
160 HD2 LYS 25 1HD LYS 25 -11.187 4.781 0.756
161 HD3 LYS 25 2HD LYS 25 -11.855 5.713 2.098
162 HE2 LYS 25 1HE LYS 25 -9.518 6.656 0.455
163 HE3 LYS 25 2HE LYS 25 -11.191 7.024 0.036
164 HZ1 LYS 25 3HZ LYS 25 -9.634 7.922 2.374
165 HZ2 LYS 25 1HZ LYS 25 -11.325 7.898 2.427
166 HZ3 LYS 25 2HZ LYS 25 -10.529 8.845 1.274
167 H PHE 26 H PHE 26 -9.051 4.186 4.600
168 HA PHE 26 HA PHE 26 -7.383 6.086 5.520
169 HB2 PHE 26 1HB PHE 26 -9.529 5.028 6.586
170 HB3 PHE 26 2HB PHE 26 -8.372 4.073 7.509
171 HD1 PHE 26 HD2 PHE 26 -8.932 7.634 6.538
172 HD2 PHE 26 HD1 PHE 26 -7.756 4.878 9.561
173 HE1 PHE 26 HE2 PHE 26 -8.673 9.494 8.128
174 HE2 PHE 26 HE1 PHE 26 -7.496 6.733 11.156
175 HZ PHE 26 HZ PHE 26 -7.954 9.045 10.441
176 H ASN 27 H ASN 27 -7.003 2.622 6.255
177 HA ASN 27 HA ASN 27 -4.723 2.736 7.798
178 HB2 ASN 27 1HB ASN 27 -5.444 0.620 5.757
179 HB3 ASN 27 2HB ASN 27 -4.282 0.422 7.066
180 HD21 ASN 27 1HD2 ASN 27 -6.031 -1.413 7.175
181 HD22 ASN 27 2HD2 ASN 27 -7.288 -1.122 8.325
182 H LEU 28 H LEU 28 -4.923 2.455 4.258
183 HA LEU 28 HA LEU 28 -2.145 2.445 3.794
184 HB2 LEU 28 1HB LEU 28 -3.788 1.712 2.140
185 HB3 LEU 28 2HB LEU 28 -4.384 3.365 1.996
186 HG LEU 28 HG LEU 28 -2.023 3.958 1.210
187 HD11 LEU 28 1HD1 LEU 28 -0.564 2.279 1.505
188 HD12 LEU 28 2HD1 LEU 28 -1.218 1.685 -0.021
189 HD13 LEU 28 3HD1 LEU 28 -1.823 1.044 1.507
190 HD21 LEU 28 3HD2 LEU 28 -2.550 3.400 -1.064
191 HD22 LEU 28 1HD2 LEU 28 -4.047 3.810 -0.225
192 HD23 LEU 28 2HD2 LEU 28 -3.649 2.121 -0.543
193 H ASP 29 H ASP 29 -4.523 5.086 3.696
194 HA ASP 29 HA ASP 29 -2.954 7.176 2.885
195 HB2 ASP 29 1HB ASP 29 -5.241 7.007 4.818
196 HB3 ASP 29 2HB ASP 29 -4.411 8.542 4.579
197 H MET 30 H MET 30 -3.353 6.048 6.241
198 HA MET 30 HA MET 30 -1.427 7.858 7.297
199 HB2 MET 30 1HB MET 30 -2.841 5.435 8.364
200 HB3 MET 30 2HB MET 30 -1.538 6.181 9.280
201 HG2 MET 30 1HG MET 30 -3.850 7.801 8.291
202 HG3 MET 30 2HG MET 30 -3.959 6.867 9.781
203 HE1 MET 30 3HE MET 30 -4.582 9.778 10.150
204 HE2 MET 30 1HE MET 30 -4.296 8.702 11.517
205 HE3 MET 30 2HE MET 30 -3.504 10.276 11.454
206 H HIS 31 H HIS 31 -1.339 4.323 6.815
207 HA HIS 31 HA HIS 31 1.176 3.703 7.572
208 HB2 HIS 31 1HB HIS 31 0.014 1.877 6.767
209 HB3 HIS 31 2HB HIS 31 -0.520 2.722 5.317
210 HD1 HIS 31 HD1 HIS 31 2.835 1.565 6.714
211 HD2 HIS 31 HD2 HIS 31 0.741 1.783 3.132
212 HE1 HIS 31 HE1 HIS 31 4.345 0.530 4.989
213 H GLN 32 H GLN 32 0.299 5.135 4.444
214 HA GLN 32 HA GLN 32 2.636 5.143 3.088
215 HB2 GLN 32 1HB GLN 32 0.528 7.259 3.360
216 HB3 GLN 32 2HB GLN 32 1.948 7.550 2.364
217 HG2 GLN 32 1HG GLN 32 1.347 5.329 1.223
218 HG3 GLN 32 2HG GLN 32 -0.226 5.530 1.992
219 HE21 GLN 32 1HE2 GLN 32 -1.268 5.748 0.016
220 HE22 GLN 32 2HE2 GLN 32 -1.130 7.176 -0.946
221 H LYS 33 H LYS 33 1.754 7.527 5.578
222 HA LYS 33 HA LYS 33 3.980 9.131 5.537
223 HB2 LYS 33 1HB LYS 33 2.145 8.258 7.734
224 HB3 LYS 33 2HB LYS 33 3.559 9.226 8.129
225 HG2 LYS 33 1HG LYS 33 2.771 10.921 6.481
226 HG3 LYS 33 2HG LYS 33 1.290 9.977 6.301
227 HD2 LYS 33 1HD LYS 33 2.200 10.819 9.023
228 HD3 LYS 33 2HD LYS 33 1.367 11.973 7.979
229 HE2 LYS 33 1HE LYS 33 0.260 9.240 8.561
230 HE3 LYS 33 2HE LYS 33 -0.063 10.626 9.601
231 HZ1 LYS 33 3HZ LYS 33 -1.355 11.621 8.031
232 HZ2 LYS 33 1HZ LYS 33 -1.653 10.004 7.633
233 HZ3 LYS 33 2HZ LYS 33 -0.548 10.908 6.727
234 H VAL 34 H VAL 34 3.608 5.976 7.074
235 HA VAL 34 HA VAL 34 5.775 5.724 8.660
236 HB VAL 34 HB VAL 34 4.885 3.681 6.620
237 HG11 VAL 34 1HG1 VAL 34 7.185 3.603 8.097
238 HG12 VAL 34 2HG1 VAL 34 6.047 2.739 9.132
239 HG13 VAL 34 3HG1 VAL 34 6.324 2.194 7.477
240 HG21 VAL 34 3HG2 VAL 34 3.302 2.950 8.112
241 HG22 VAL 34 1HG2 VAL 34 4.172 3.579 9.511
242 HG23 VAL 34 2HG2 VAL 34 3.286 4.680 8.455
243 H HIS 35 H HIS 35 5.849 5.247 5.129
244 HA HIS 35 HA HIS 35 8.649 4.862 4.985
245 HB2 HIS 35 1HB HIS 35 6.858 5.874 2.772
246 HB3 HIS 35 2HB HIS 35 8.391 5.026 2.601
247 HD1 HIS 35 HD1 HIS 35 8.174 2.521 4.029
248 HD2 HIS 35 HD2 HIS 35 4.840 4.191 2.196
249 HE1 HIS 35 HE1 HIS 35 6.566 0.617 3.694
250 H THR 36 H THR 36 6.611 7.694 4.288
251 HA THR 36 HA THR 36 8.561 9.481 3.505
252 HB THR 36 HB THR 36 6.121 10.107 5.179
253 HG1 THR 36 HG1 THR 36 6.411 10.275 2.355
254 HG21 THR 36 3HG2 THR 36 7.761 11.942 5.125
255 HG22 THR 36 1HG2 THR 36 6.290 12.351 4.244
256 HG23 THR 36 2HG2 THR 36 7.747 11.891 3.363
257 H GLY 37 H GLY 37 10.376 10.078 4.483
258 HA2 GLY 37 1HA GLY 37 11.388 11.361 6.268
259 HA3 GLY 37 2HA GLY 37 10.296 10.562 7.391
260 H GLU 38 H GLU 38 12.340 10.193 8.573
261 HA GLU 38 HA GLU 38 14.277 9.018 9.042
262 HB2 GLU 38 1HB GLU 38 13.790 6.644 9.352
263 HB3 GLU 38 2HB GLU 38 12.441 7.634 9.892
264 HG2 GLU 38 1HG GLU 38 11.349 7.196 7.686
265 HG3 GLU 38 2HG GLU 38 12.639 6.043 7.350
266 H ARG 39 H ARG 39 14.643 9.980 6.543
267 HA ARG 39 HA ARG 39 14.996 8.283 4.416
268 HB2 ARG 39 1HB ARG 39 16.984 10.428 5.159
269 HB3 ARG 39 2HB ARG 39 16.588 9.842 3.549
270 HG2 ARG 39 1HG ARG 39 14.218 10.707 4.047
271 HG3 ARG 39 2HG ARG 39 14.987 11.611 5.353
272 HD2 ARG 39 1HD ARG 39 16.644 12.349 3.476
273 HD3 ARG 39 2HD ARG 39 15.333 11.875 2.397
274 HE ARG 39 HE ARG 39 14.061 13.477 4.115
275 HH11 ARG 39 1HH1 ARG 39 17.062 13.868 2.395
276 HH12 ARG 39 2HH1 ARG 39 16.932 15.593 2.296
277 HH21 ARG 39 1HH2 ARG 39 13.877 15.748 3.991
278 HH22 ARG 39 2HH2 ARG 39 15.120 16.661 3.204
279 HA PRO 40 HA PRO 40 18.083 5.373 5.583
280 HB2 PRO 40 1HB PRO 40 18.988 4.686 3.117
281 HB3 PRO 40 2HB PRO 40 17.422 4.161 3.747
282 HG2 PRO 40 1HG PRO 40 18.053 6.409 1.873
283 HG3 PRO 40 2HG PRO 40 16.739 5.221 1.793
284 HD2 PRO 40 1HD PRO 40 16.370 7.741 2.710
285 HD3 PRO 40 2HD PRO 40 15.451 6.355 3.331
286 H SER 41 H SER 41 19.570 6.746 6.640
287 HA SER 41 HA SER 41 21.435 8.366 5.217
288 HB2 SER 41 1HB SER 41 20.935 8.995 7.467
289 HB3 SER 41 2HB SER 41 21.336 7.389 8.075
290 HG SER 41 HG SER 41 23.364 7.936 8.134
291 H GLY 42 H GLY 42 23.409 7.897 4.436
292 HA2 GLY 42 1HA GLY 42 24.275 5.516 3.600
293 HA3 GLY 42 2HA GLY 42 25.409 6.738 4.155
294 HA PRO 43 HA PRO 43 25.122 2.842 6.982
295 HB2 PRO 43 1HB PRO 43 26.898 1.172 5.786
296 HB3 PRO 43 2HB PRO 43 25.165 1.142 5.437
297 HG2 PRO 43 1HG PRO 43 27.387 2.425 3.894
298 HG3 PRO 43 2HG PRO 43 26.005 1.488 3.296
299 HD2 PRO 43 1HD PRO 43 26.069 4.195 3.231
300 HD3 PRO 43 2HD PRO 43 24.563 3.280 3.452
301 H SER 44 H SER 44 26.254 3.633 8.653
302 HA SER 44 HA SER 44 29.170 3.716 8.429
303 HB2 SER 44 1HB SER 44 28.443 6.026 8.049
304 HB3 SER 44 2HB SER 44 27.505 5.989 9.542
305 HG SER 44 HG SER 44 29.432 6.929 10.047
306 H SER 45 H SER 45 29.833 2.311 9.906
307 HA SER 45 HA SER 45 28.550 1.102 11.921
308 HB2 SER 45 1HB SER 45 30.854 0.549 11.366
309 HB3 SER 45 2HB SER 45 31.411 2.088 12.022
310 HG SER 45 HG SER 45 31.448 1.191 13.910
311 H GLY 46 H GLY 46 27.349 1.802 13.551
312 HA2 GLY 46 1HA GLY 46 28.084 4.359 14.833
313 HA3 GLY 46 2HA GLY 46 26.444 3.737 14.727
Start of MODEL 4
1 H1 GLY 1 H GLY 1 9.954 -27.685 -8.096
2 HA2 GLY 1 1HA GLY 1 10.790 -25.051 -7.113
3 HA3 GLY 1 2HA GLY 1 10.215 -25.173 -8.769
4 H SER 2 H SER 2 9.070 -26.722 -5.781
5 HA SER 2 HA SER 2 6.466 -25.412 -6.220
6 HB2 SER 2 1HB SER 2 6.996 -28.232 -5.257
7 HB3 SER 2 2HB SER 2 5.408 -27.466 -5.290
8 HG SER 2 HG SER 2 5.468 -28.472 -7.193
9 H SER 3 H SER 3 6.532 -23.826 -4.720
10 HA SER 3 HA SER 3 6.254 -24.550 -1.968
11 HB2 SER 3 1HB SER 3 8.174 -23.230 -1.126
12 HB3 SER 3 2HB SER 3 8.692 -24.617 -2.083
13 HG SER 3 HG SER 3 8.313 -22.220 -3.441
14 H GLY 4 H GLY 4 4.756 -23.227 -1.193
15 HA2 GLY 4 1HA GLY 4 3.915 -21.097 -0.591
16 HA3 GLY 4 2HA GLY 4 4.825 -20.390 -1.919
17 H SER 5 H SER 5 3.387 -19.430 -3.203
18 HA SER 5 HA SER 5 1.607 -19.100 -4.581
19 HB2 SER 5 1HB SER 5 2.136 -22.024 -4.802
20 HB3 SER 5 2HB SER 5 0.626 -21.415 -5.480
21 HG SER 5 HG SER 5 2.968 -20.025 -6.078
22 H SER 6 H SER 6 1.059 -19.071 -1.844
23 HA SER 6 HA SER 6 -1.765 -19.820 -1.887
24 HB2 SER 6 1HB SER 6 -1.620 -20.736 0.415
25 HB3 SER 6 2HB SER 6 -0.691 -21.686 -0.745
26 HG SER 6 HG SER 6 0.620 -19.621 0.598
27 H GLY 7 H GLY 7 -3.050 -18.283 -1.053
28 HA2 GLY 7 1HA GLY 7 -2.528 -16.629 1.115
29 HA3 GLY 7 2HA GLY 7 -1.956 -15.771 -0.308
30 H THR 8 H THR 8 -4.771 -17.896 0.061
31 HA THR 8 HA THR 8 -6.566 -16.661 -1.497
32 HB THR 8 HB THR 8 -7.036 -18.679 -0.101
33 HG1 THR 8 HG1 THR 8 -8.980 -18.225 -0.780
34 HG21 THR 8 3HG2 THR 8 -7.244 -18.613 2.132
35 HG22 THR 8 1HG2 THR 8 -8.205 -17.135 2.087
36 HG23 THR 8 2HG2 THR 8 -6.445 -17.044 2.027
37 H GLY 9 H GLY 9 -8.114 -15.010 -1.346
38 HA2 GLY 9 1HA GLY 9 -9.124 -13.100 -0.467
39 HA3 GLY 9 2HA GLY 9 -8.094 -13.237 0.950
40 H GLU 10 H GLU 10 -8.792 -11.208 -1.420
41 HA GLU 10 HA GLU 10 -6.032 -10.192 -1.588
42 HB2 GLU 10 1HB GLU 10 -8.133 -10.391 -3.722
43 HB3 GLU 10 2HB GLU 10 -6.889 -9.152 -3.812
44 HG2 GLU 10 1HG GLU 10 -6.235 -12.063 -3.498
45 HG3 GLU 10 2HG GLU 10 -6.464 -11.305 -5.073
46 H LYS 11 H LYS 11 -5.795 -7.908 -1.653
47 HA LYS 11 HA LYS 11 -8.141 -6.440 -0.639
48 HB2 LYS 11 1HB LYS 11 -5.235 -5.993 0.069
49 HB3 LYS 11 2HB LYS 11 -6.594 -5.053 0.671
50 HG2 LYS 11 1HG LYS 11 -7.479 -7.283 1.578
51 HG3 LYS 11 2HG LYS 11 -5.842 -7.881 1.302
52 HD2 LYS 11 1HD LYS 11 -4.971 -6.047 2.711
53 HD3 LYS 11 2HD LYS 11 -6.630 -5.536 3.033
54 HE2 LYS 11 1HE LYS 11 -5.815 -8.358 3.581
55 HE3 LYS 11 2HE LYS 11 -5.373 -7.087 4.720
56 HZ1 LYS 11 3HZ LYS 11 -8.091 -6.830 4.001
57 HZ2 LYS 11 1HZ LYS 11 -7.418 -7.101 5.530
58 HZ3 LYS 11 2HZ LYS 11 -7.799 -8.410 4.529
59 HA PRO 12 HA PRO 12 -7.660 -3.714 -4.062
60 HB2 PRO 12 1HB PRO 12 -8.904 -1.523 -3.050
61 HB3 PRO 12 2HB PRO 12 -9.778 -2.968 -3.574
62 HG2 PRO 12 1HG PRO 12 -8.987 -2.130 -0.810
63 HG3 PRO 12 2HG PRO 12 -10.520 -2.820 -1.375
64 HD2 PRO 12 1HD PRO 12 -8.630 -4.301 -0.123
65 HD3 PRO 12 2HD PRO 12 -9.698 -4.973 -1.372
66 H TYR 13 H TYR 13 -7.088 -2.142 -0.906
67 HA TYR 13 HA TYR 13 -5.257 -0.244 -2.025
68 HB2 TYR 13 1HB TYR 13 -5.709 -0.932 0.884
69 HB3 TYR 13 2HB TYR 13 -4.950 0.526 0.254
70 HD1 TYR 13 HD2 TYR 13 -6.325 2.219 -0.929
71 HD2 TYR 13 HD1 TYR 13 -8.083 -1.146 0.991
72 HE1 TYR 13 HE2 TYR 13 -8.514 3.339 -0.983
73 HE2 TYR 13 HE1 TYR 13 -10.277 -0.036 0.941
74 HH TYR 13 HH TYR 13 -11.367 1.818 -0.575
75 H LYS 14 H LYS 14 -3.627 -1.457 -3.007
76 HA LYS 14 HA LYS 14 -1.945 -3.076 -1.222
77 HB2 LYS 14 1HB LYS 14 -2.127 -2.976 -4.236
78 HB3 LYS 14 2HB LYS 14 -0.922 -3.909 -3.359
79 HG2 LYS 14 1HG LYS 14 -2.485 -5.416 -2.553
80 HG3 LYS 14 2HG LYS 14 -3.834 -4.308 -2.813
81 HD2 LYS 14 1HD LYS 14 -4.109 -5.810 -4.548
82 HD3 LYS 14 2HD LYS 14 -3.177 -4.527 -5.324
83 HE2 LYS 14 1HE LYS 14 -2.146 -6.537 -5.983
84 HE3 LYS 14 2HE LYS 14 -1.109 -5.872 -4.723
85 HZ1 LYS 14 3HZ LYS 14 -1.526 -7.586 -3.370
86 HZ2 LYS 14 1HZ LYS 14 -2.034 -8.392 -4.768
87 HZ3 LYS 14 2HZ LYS 14 -3.170 -7.649 -3.761
88 H CYS 15 H CYS 15 -0.457 -1.819 -0.279
89 HA CYS 15 HA CYS 15 0.550 0.594 -1.158
90 HB2 CYS 15 1HB CYS 15 0.856 -0.657 1.106
91 HB3 CYS 15 2HB CYS 15 2.301 -1.322 0.351
92 H GLU 16 H GLU 16 2.674 1.160 -1.989
93 HA GLU 16 HA GLU 16 3.670 -0.839 -3.912
94 HB2 GLU 16 1HB GLU 16 4.308 1.030 -5.362
95 HB3 GLU 16 2HB GLU 16 2.584 1.049 -5.018
96 HG2 GLU 16 1HG GLU 16 4.571 2.717 -3.505
97 HG3 GLU 16 2HG GLU 16 3.753 3.274 -4.964
98 H LYS 17 H LYS 17 4.501 1.556 -1.514
99 HA LYS 17 HA LYS 17 7.265 1.708 -1.937
100 HB2 LYS 17 1HB LYS 17 5.495 2.149 0.442
101 HB3 LYS 17 2HB LYS 17 7.243 2.190 0.635
102 HG2 LYS 17 1HG LYS 17 6.026 3.826 -1.526
103 HG3 LYS 17 2HG LYS 17 5.857 4.370 0.145
104 HD2 LYS 17 1HD LYS 17 8.439 3.882 0.222
105 HD3 LYS 17 2HD LYS 17 8.311 4.084 -1.527
106 HE2 LYS 17 1HE LYS 17 7.260 6.094 0.453
107 HE3 LYS 17 2HE LYS 17 8.889 6.162 -0.218
108 HZ1 LYS 17 3HZ LYS 17 7.641 7.540 -1.589
109 HZ2 LYS 17 1HZ LYS 17 6.309 6.497 -1.616
110 HZ3 LYS 17 2HZ LYS 17 7.715 6.095 -2.465
111 H CYS 18 H CYS 18 5.355 -0.493 0.084
112 HA CYS 18 HA CYS 18 7.766 -2.155 0.417
113 HB2 CYS 18 1HB CYS 18 6.635 -3.079 2.437
114 HB3 CYS 18 2HB CYS 18 6.985 -1.357 2.558
115 H GLY 19 H GLY 19 4.232 -2.305 0.024
116 HA2 GLY 19 1HA GLY 19 3.333 -3.704 -1.755
117 HA3 GLY 19 2HA GLY 19 4.617 -4.854 -1.415
118 H LYS 20 H LYS 20 2.531 -3.184 0.902
119 HA LYS 20 HA LYS 20 1.672 -5.808 1.894
120 HB2 LYS 20 1HB LYS 20 2.765 -3.884 3.333
121 HB3 LYS 20 2HB LYS 20 1.121 -3.261 3.358
122 HG2 LYS 20 1HG LYS 20 1.548 -6.114 4.062
123 HG3 LYS 20 2HG LYS 20 2.019 -4.879 5.231
124 HD2 LYS 20 1HD LYS 20 -0.352 -3.913 4.757
125 HD3 LYS 20 2HD LYS 20 -0.693 -5.536 4.152
126 HE2 LYS 20 1HE LYS 20 0.051 -6.463 6.314
127 HE3 LYS 20 2HE LYS 20 0.306 -4.823 6.908
128 HZ1 LYS 20 3HZ LYS 20 -1.807 -4.803 7.520
129 HZ2 LYS 20 1HZ LYS 20 -2.085 -6.319 6.820
130 HZ3 LYS 20 2HZ LYS 20 -2.273 -4.914 5.897
131 H GLY 21 H GLY 21 -0.524 -6.225 2.368
132 HA2 GLY 21 1HA GLY 21 -2.349 -4.853 0.562
133 HA3 GLY 21 2HA GLY 21 -2.671 -6.341 1.439
134 H TYR 22 H TYR 22 -4.345 -3.968 1.171
135 HA TYR 22 HA TYR 22 -4.938 -3.614 3.985
136 HB2 TYR 22 1HB TYR 22 -4.042 -1.362 2.209
137 HB3 TYR 22 2HB TYR 22 -5.136 -1.064 3.556
138 HD1 TYR 22 HD1 TYR 22 -4.347 -1.963 5.878
139 HD2 TYR 22 HD2 TYR 22 -1.752 -1.310 2.570
140 HE1 TYR 22 HE1 TYR 22 -2.429 -1.844 7.414
141 HE2 TYR 22 HE2 TYR 22 0.173 -1.190 4.096
142 HH TYR 22 HH TYR 22 0.500 -0.594 6.602
143 H ASN 23 H ASN 23 -7.078 -3.273 4.368
144 HA ASN 23 HA ASN 23 -8.815 -3.140 1.995
145 HB2 ASN 23 1HB ASN 23 -10.519 -4.266 3.343
146 HB3 ASN 23 2HB ASN 23 -9.031 -5.207 3.319
147 HD21 ASN 23 1HD2 ASN 23 -11.275 -5.116 5.237
148 HD22 ASN 23 2HD2 ASN 23 -10.551 -4.795 6.772
149 H SER 24 H SER 24 -7.757 -0.767 2.989
150 HA SER 24 HA SER 24 -10.126 0.740 3.422
151 HB2 SER 24 1HB SER 24 -9.617 -0.236 5.733
152 HB3 SER 24 2HB SER 24 -8.201 0.815 5.745
153 HG SER 24 HG SER 24 -9.717 2.571 5.342
154 H LYS 25 H LYS 25 -9.837 2.780 2.728
155 HA LYS 25 HA LYS 25 -7.389 3.518 1.513
156 HB2 LYS 25 1HB LYS 25 -8.487 5.628 1.001
157 HB3 LYS 25 2HB LYS 25 -9.584 4.287 0.699
158 HG2 LYS 25 1HG LYS 25 -10.674 4.720 2.861
159 HG3 LYS 25 2HG LYS 25 -9.603 6.103 3.101
160 HD2 LYS 25 1HD LYS 25 -10.501 7.158 1.092
161 HD3 LYS 25 2HD LYS 25 -11.550 5.764 0.818
162 HE2 LYS 25 1HE LYS 25 -12.319 6.323 3.289
163 HE3 LYS 25 2HE LYS 25 -11.744 7.930 2.848
164 HZ1 LYS 25 3HZ LYS 25 -13.303 8.102 1.147
165 HZ2 LYS 25 1HZ LYS 25 -14.174 7.376 2.403
166 HZ3 LYS 25 2HZ LYS 25 -13.612 6.440 1.112
167 H PHE 26 H PHE 26 -8.937 4.395 4.555
168 HA PHE 26 HA PHE 26 -7.189 6.480 5.275
169 HB2 PHE 26 1HB PHE 26 -9.385 6.031 6.360
170 HB3 PHE 26 2HB PHE 26 -8.681 4.608 7.123
171 HD1 PHE 26 HD2 PHE 26 -8.524 8.291 6.952
172 HD2 PHE 26 HD1 PHE 26 -7.375 4.786 9.076
173 HE1 PHE 26 HE2 PHE 26 -7.752 9.685 8.826
174 HE2 PHE 26 HE1 PHE 26 -6.602 6.174 10.955
175 HZ PHE 26 HZ PHE 26 -6.789 8.627 10.831
176 H ASN 27 H ASN 27 -7.230 3.085 6.370
177 HA ASN 27 HA ASN 27 -5.006 3.025 7.938
178 HB2 ASN 27 1HB ASN 27 -6.109 0.978 6.027
179 HB3 ASN 27 2HB ASN 27 -4.686 0.636 7.006
180 HD21 ASN 27 1HD2 ASN 27 -4.949 0.006 9.049
181 HD22 ASN 27 2HD2 ASN 27 -6.460 -0.039 9.886
182 H LEU 28 H LEU 28 -5.088 2.824 4.402
183 HA LEU 28 HA LEU 28 -2.273 2.501 4.108
184 HB2 LEU 28 1HB LEU 28 -3.829 1.767 2.392
185 HB3 LEU 28 2HB LEU 28 -4.368 3.427 2.147
186 HG LEU 28 HG LEU 28 -1.954 3.919 1.457
187 HD11 LEU 28 1HD1 LEU 28 -1.911 0.957 1.707
188 HD12 LEU 28 2HD1 LEU 28 -0.651 2.141 2.052
189 HD13 LEU 28 3HD1 LEU 28 -1.018 1.705 0.383
190 HD21 LEU 28 3HD2 LEU 28 -2.523 3.619 -0.740
191 HD22 LEU 28 1HD2 LEU 28 -4.109 3.463 0.016
192 HD23 LEU 28 2HD2 LEU 28 -3.213 2.020 -0.459
193 H ASP 29 H ASP 29 -4.446 5.274 3.575
194 HA ASP 29 HA ASP 29 -2.753 7.217 2.779
195 HB2 ASP 29 1HB ASP 29 -5.237 7.402 3.386
196 HB3 ASP 29 2HB ASP 29 -4.690 7.751 5.024
197 H MET 30 H MET 30 -3.032 5.960 6.064
198 HA MET 30 HA MET 30 -1.076 7.813 7.102
199 HB2 MET 30 1HB MET 30 -2.602 5.501 8.269
200 HB3 MET 30 2HB MET 30 -1.288 6.262 9.155
201 HG2 MET 30 1HG MET 30 -3.719 7.702 8.122
202 HG3 MET 30 2HG MET 30 -3.518 7.112 9.770
203 HE1 MET 30 3HE MET 30 -2.882 8.116 11.423
204 HE2 MET 30 1HE MET 30 -1.375 9.016 11.591
205 HE3 MET 30 2HE MET 30 -2.904 9.880 11.432
206 H HIS 31 H HIS 31 -1.208 4.251 6.886
207 HA HIS 31 HA HIS 31 1.284 3.540 7.609
208 HB2 HIS 31 1HB HIS 31 -0.110 1.780 6.949
209 HB3 HIS 31 2HB HIS 31 -0.447 2.507 5.381
210 HD1 HIS 31 HD1 HIS 31 2.435 0.860 7.224
211 HD2 HIS 31 HD2 HIS 31 1.086 1.543 3.354
212 HE1 HIS 31 HE1 HIS 31 4.003 -0.418 5.729
213 H GLN 32 H GLN 32 0.405 5.033 4.541
214 HA GLN 32 HA GLN 32 2.671 4.734 3.050
215 HB2 GLN 32 1HB GLN 32 0.794 7.061 3.346
216 HB3 GLN 32 2HB GLN 32 2.165 7.145 2.247
217 HG2 GLN 32 1HG GLN 32 1.320 5.124 1.103
218 HG3 GLN 32 2HG GLN 32 -0.095 5.160 2.155
219 HE21 GLN 32 1HE2 GLN 32 -1.751 5.769 0.957
220 HE22 GLN 32 2HE2 GLN 32 -1.783 7.123 -0.116
221 H LYS 33 H LYS 33 2.126 7.142 5.598
222 HA LYS 33 HA LYS 33 4.506 8.557 5.370
223 HB2 LYS 33 1HB LYS 33 3.999 9.501 7.420
224 HB3 LYS 33 2HB LYS 33 2.420 8.931 6.896
225 HG2 LYS 33 1HG LYS 33 2.567 7.014 8.323
226 HG3 LYS 33 2HG LYS 33 4.240 7.396 8.738
227 HD2 LYS 33 1HD LYS 33 2.833 8.093 10.551
228 HD3 LYS 33 2HD LYS 33 3.433 9.536 9.730
229 HE2 LYS 33 1HE LYS 33 1.351 9.879 8.636
230 HE3 LYS 33 2HE LYS 33 0.757 8.294 9.130
231 HZ1 LYS 33 3HZ LYS 33 -0.180 10.093 10.468
232 HZ2 LYS 33 1HZ LYS 33 1.371 10.537 10.978
233 HZ3 LYS 33 2HZ LYS 33 0.736 9.032 11.415
234 H VAL 34 H VAL 34 3.828 5.517 7.013
235 HA VAL 34 HA VAL 34 5.956 5.089 8.611
236 HB VAL 34 HB VAL 34 4.893 3.090 6.611
237 HG11 VAL 34 1HG1 VAL 34 7.063 2.910 8.439
238 HG12 VAL 34 2HG1 VAL 34 5.757 1.876 9.021
239 HG13 VAL 34 3HG1 VAL 34 6.397 1.658 7.391
240 HG21 VAL 34 3HG2 VAL 34 3.392 4.309 8.423
241 HG22 VAL 34 1HG2 VAL 34 3.197 2.595 8.055
242 HG23 VAL 34 2HG2 VAL 34 4.113 3.093 9.478
243 H HIS 35 H HIS 35 6.022 5.282 5.128
244 HA HIS 35 HA HIS 35 8.787 4.392 4.988
245 HB2 HIS 35 1HB HIS 35 7.063 5.478 2.756
246 HB3 HIS 35 2HB HIS 35 8.553 4.552 2.598
247 HD1 HIS 35 HD1 HIS 35 8.182 2.089 4.102
248 HD2 HIS 35 HD2 HIS 35 4.990 3.879 2.137
249 HE1 HIS 35 HE1 HIS 35 6.488 0.260 3.766
250 H THR 36 H THR 36 8.771 6.519 6.587
251 HA THR 36 HA THR 36 9.648 8.773 4.903
252 HB THR 36 HB THR 36 7.743 9.314 6.379
253 HG1 THR 36 HG1 THR 36 10.257 10.537 6.680
254 HG21 THR 36 3HG2 THR 36 9.621 8.934 8.700
255 HG22 THR 36 1HG2 THR 36 8.481 7.689 8.191
256 HG23 THR 36 2HG2 THR 36 7.888 9.258 8.738
257 H GLY 37 H GLY 37 10.424 6.792 7.720
258 HA2 GLY 37 1HA GLY 37 12.626 6.125 8.271
259 HA3 GLY 37 2HA GLY 37 13.243 7.492 7.356
260 H GLU 38 H GLU 38 14.379 8.705 8.724
261 HA GLU 38 HA GLU 38 13.525 9.012 11.482
262 HB2 GLU 38 1HB GLU 38 15.637 10.114 11.842
263 HB3 GLU 38 2HB GLU 38 15.916 8.655 10.903
264 HG2 GLU 38 1HG GLU 38 16.049 9.993 8.863
265 HG3 GLU 38 2HG GLU 38 15.782 11.456 9.810
266 H ARG 39 H ARG 39 12.771 10.863 12.411
267 HA ARG 39 HA ARG 39 11.254 12.646 10.966
268 HB2 ARG 39 1HB ARG 39 12.527 12.851 13.682
269 HB3 ARG 39 2HB ARG 39 11.552 14.163 13.035
270 HG2 ARG 39 1HG ARG 39 10.530 11.348 13.246
271 HG3 ARG 39 2HG ARG 39 10.383 12.520 14.557
272 HD2 ARG 39 1HD ARG 39 9.359 14.037 12.694
273 HD3 ARG 39 2HD ARG 39 9.087 12.504 11.866
274 HE ARG 39 HE ARG 39 7.428 12.019 13.373
275 HH11 ARG 39 1HH1 ARG 39 9.317 14.693 14.556
276 HH12 ARG 39 2HH1 ARG 39 8.238 15.046 15.865
277 HH21 ARG 39 1HH2 ARG 39 5.999 12.473 15.092
278 HH22 ARG 39 2HH2 ARG 39 6.351 13.782 16.169
279 HA PRO 40 HA PRO 40 14.067 15.429 9.041
280 HB2 PRO 40 1HB PRO 40 12.423 17.567 8.737
281 HB3 PRO 40 2HB PRO 40 12.287 16.103 7.756
282 HG2 PRO 40 1HG PRO 40 10.699 16.930 10.155
283 HG3 PRO 40 2HG PRO 40 10.138 16.200 8.639
284 HD2 PRO 40 1HD PRO 40 10.480 14.763 10.909
285 HD3 PRO 40 2HD PRO 40 10.740 14.074 9.293
286 H SER 41 H SER 41 14.486 17.985 9.219
287 HA SER 41 HA SER 41 15.827 18.423 11.600
288 HB2 SER 41 1HB SER 41 16.106 19.675 9.407
289 HB3 SER 41 2HB SER 41 14.707 20.639 9.878
290 HG SER 41 HG SER 41 16.319 21.790 10.705
291 H GLY 42 H GLY 42 14.606 18.035 13.424
292 HA2 GLY 42 1HA GLY 42 13.293 20.143 14.643
293 HA3 GLY 42 2HA GLY 42 12.038 19.186 13.869
294 HA PRO 43 HA PRO 43 14.173 16.504 17.326
295 HB2 PRO 43 1HB PRO 43 15.379 17.960 19.274
296 HB3 PRO 43 2HB PRO 43 16.239 17.361 17.851
297 HG2 PRO 43 1HG PRO 43 15.120 20.086 18.380
298 HG3 PRO 43 2HG PRO 43 16.678 19.636 17.661
299 HD2 PRO 43 1HD PRO 43 14.557 20.418 16.170
300 HD3 PRO 43 2HD PRO 43 15.749 19.237 15.590
301 H SER 44 H SER 44 12.132 16.038 18.024
302 HA SER 44 HA SER 44 11.229 17.386 20.422
303 HB2 SER 44 1HB SER 44 9.716 17.498 17.829
304 HB3 SER 44 2HB SER 44 8.850 17.513 19.365
305 HG SER 44 HG SER 44 10.912 19.325 18.640
306 H SER 45 H SER 45 11.101 15.668 21.716
307 HA SER 45 HA SER 45 9.812 13.228 20.692
308 HB2 SER 45 1HB SER 45 12.223 13.176 21.608
309 HB3 SER 45 2HB SER 45 11.481 13.366 23.196
310 HG SER 45 HG SER 45 10.112 11.476 22.246
311 H GLY 46 H GLY 46 7.752 13.053 21.266
312 HA2 GLY 46 1HA GLY 46 7.020 13.711 24.041
313 HA3 GLY 46 2HA GLY 46 6.060 14.348 22.714
Start of MODEL 5
1 H1 GLY 1 H GLY 1 10.059 -24.548 -11.515
2 HA2 GLY 1 1HA GLY 1 10.555 -21.782 -11.034
3 HA3 GLY 1 2HA GLY 1 9.442 -21.997 -12.378
4 H SER 2 H SER 2 9.725 -21.724 -9.047
5 HA SER 2 HA SER 2 7.527 -23.294 -8.194
6 HB2 SER 2 1HB SER 2 7.647 -21.949 -6.121
7 HB3 SER 2 2HB SER 2 9.236 -22.527 -6.621
8 HG SER 2 HG SER 2 8.280 -19.977 -7.369
9 H SER 3 H SER 3 5.510 -22.402 -7.268
10 HA SER 3 HA SER 3 4.560 -19.863 -8.218
11 HB2 SER 3 1HB SER 3 3.744 -22.414 -9.568
12 HB3 SER 3 2HB SER 3 2.582 -21.096 -9.424
13 HG SER 3 HG SER 3 5.131 -20.462 -10.352
14 H GLY 4 H GLY 4 2.219 -19.542 -7.630
15 HA2 GLY 4 1HA GLY 4 0.745 -21.220 -5.995
16 HA3 GLY 4 2HA GLY 4 1.826 -20.339 -4.926
17 H SER 5 H SER 5 -0.036 -19.416 -7.821
18 HA SER 5 HA SER 5 -0.716 -16.877 -6.718
19 HB2 SER 5 1HB SER 5 -1.668 -18.370 -9.165
20 HB3 SER 5 2HB SER 5 -2.258 -16.764 -8.739
21 HG SER 5 HG SER 5 -0.572 -16.206 -9.900
22 H SER 6 H SER 6 -2.699 -19.729 -7.529
23 HA SER 6 HA SER 6 -4.886 -20.197 -6.949
24 HB2 SER 6 1HB SER 6 -5.053 -20.790 -4.610
25 HB3 SER 6 2HB SER 6 -3.424 -21.172 -5.167
26 HG SER 6 HG SER 6 -3.902 -19.846 -3.083
27 H GLY 7 H GLY 7 -4.755 -17.526 -7.685
28 HA2 GLY 7 1HA GLY 7 -6.533 -15.947 -7.608
29 HA3 GLY 7 2HA GLY 7 -6.835 -16.411 -5.941
30 H THR 8 H THR 8 -6.883 -14.056 -5.622
31 HA THR 8 HA THR 8 -4.161 -13.024 -5.174
32 HB THR 8 HB THR 8 -6.535 -11.388 -6.088
33 HG1 THR 8 HG1 THR 8 -4.110 -11.950 -7.472
34 HG21 THR 8 3HG2 THR 8 -3.670 -10.608 -5.533
35 HG22 THR 8 1HG2 THR 8 -5.089 -10.116 -4.609
36 HG23 THR 8 2HG2 THR 8 -4.882 -9.560 -6.270
37 H GLY 9 H GLY 9 -7.588 -12.726 -4.271
38 HA2 GLY 9 1HA GLY 9 -8.124 -13.014 -1.893
39 HA3 GLY 9 2HA GLY 9 -6.688 -12.067 -1.535
40 H GLU 10 H GLU 10 -8.151 -10.759 -0.236
41 HA GLU 10 HA GLU 10 -9.771 -8.913 -1.861
42 HB2 GLU 10 1HB GLU 10 -10.915 -10.289 -0.050
43 HB3 GLU 10 2HB GLU 10 -10.016 -9.327 1.115
44 HG2 GLU 10 1HG GLU 10 -11.141 -7.359 0.530
45 HG3 GLU 10 2HG GLU 10 -11.761 -8.058 -0.965
46 H LYS 11 H LYS 11 -7.260 -8.256 -2.066
47 HA LYS 11 HA LYS 11 -6.820 -6.117 -0.086
48 HB2 LYS 11 1HB LYS 11 -4.676 -7.468 -1.727
49 HB3 LYS 11 2HB LYS 11 -4.452 -6.349 -0.389
50 HG2 LYS 11 1HG LYS 11 -4.868 -7.932 1.193
51 HG3 LYS 11 2HG LYS 11 -5.937 -8.863 0.140
52 HD2 LYS 11 1HD LYS 11 -3.961 -10.152 0.444
53 HD3 LYS 11 2HD LYS 11 -3.902 -9.497 -1.194
54 HE2 LYS 11 1HE LYS 11 -2.362 -7.783 -0.509
55 HE3 LYS 11 2HE LYS 11 -2.523 -8.254 1.182
56 HZ1 LYS 11 3HZ LYS 11 -0.541 -9.224 0.479
57 HZ2 LYS 11 1HZ LYS 11 -1.181 -9.714 -1.009
58 HZ3 LYS 11 2HZ LYS 11 -1.651 -10.499 0.413
59 HA PRO 12 HA PRO 12 -7.615 -4.070 -4.142
60 HB2 PRO 12 1HB PRO 12 -8.991 -1.992 -3.065
61 HB3 PRO 12 2HB PRO 12 -9.749 -3.535 -3.478
62 HG2 PRO 12 1HG PRO 12 -8.811 -2.538 -0.816
63 HG3 PRO 12 2HG PRO 12 -10.306 -3.400 -1.225
64 HD2 PRO 12 1HD PRO 12 -8.166 -4.638 -0.120
65 HD3 PRO 12 2HD PRO 12 -9.262 -5.455 -1.253
66 H TYR 13 H TYR 13 -6.864 -2.431 -1.063
67 HA TYR 13 HA TYR 13 -5.207 -0.498 -2.482
68 HB2 TYR 13 1HB TYR 13 -5.759 -0.644 0.484
69 HB3 TYR 13 2HB TYR 13 -5.131 0.730 -0.419
70 HD1 TYR 13 HD2 TYR 13 -6.896 0.981 -2.682
71 HD2 TYR 13 HD1 TYR 13 -7.833 -0.077 1.332
72 HE1 TYR 13 HE2 TYR 13 -9.186 1.821 -3.000
73 HE2 TYR 13 HE1 TYR 13 -10.125 0.759 1.024
74 HH TYR 13 HH TYR 13 -11.110 2.741 -0.953
75 H LYS 14 H LYS 14 -3.329 -1.466 -3.069
76 HA LYS 14 HA LYS 14 -1.762 -2.788 -0.956
77 HB2 LYS 14 1HB LYS 14 -1.533 -3.050 -3.960
78 HB3 LYS 14 2HB LYS 14 -0.511 -3.872 -2.788
79 HG2 LYS 14 1HG LYS 14 -2.459 -5.060 -1.917
80 HG3 LYS 14 2HG LYS 14 -3.486 -4.234 -3.092
81 HD2 LYS 14 1HD LYS 14 -1.106 -5.820 -3.987
82 HD3 LYS 14 2HD LYS 14 -2.636 -6.621 -3.624
83 HE2 LYS 14 1HE LYS 14 -3.681 -4.883 -5.202
84 HE3 LYS 14 2HE LYS 14 -2.031 -4.585 -5.745
85 HZ1 LYS 14 3HZ LYS 14 -2.257 -6.310 -7.092
86 HZ2 LYS 14 1HZ LYS 14 -3.775 -6.692 -6.451
87 HZ3 LYS 14 2HZ LYS 14 -2.375 -7.330 -5.748
88 H CYS 15 H CYS 15 -0.036 -1.758 -0.209
89 HA CYS 15 HA CYS 15 0.731 0.793 -0.959
90 HB2 CYS 15 1HB CYS 15 1.332 -0.619 1.148
91 HB3 CYS 15 2HB CYS 15 2.726 -1.126 0.201
92 H GLU 16 H GLU 16 3.087 1.325 -1.644
93 HA GLU 16 HA GLU 16 3.680 -0.235 -4.073
94 HB2 GLU 16 1HB GLU 16 2.843 2.192 -4.282
95 HB3 GLU 16 2HB GLU 16 4.428 2.653 -3.676
96 HG2 GLU 16 1HG GLU 16 5.454 1.413 -5.559
97 HG3 GLU 16 2HG GLU 16 3.836 1.110 -6.190
98 H LYS 17 H LYS 17 5.221 1.882 -1.656
99 HA LYS 17 HA LYS 17 7.867 1.322 -2.220
100 HB2 LYS 17 1HB LYS 17 6.715 1.748 0.542
101 HB3 LYS 17 2HB LYS 17 8.375 2.040 0.040
102 HG2 LYS 17 1HG LYS 17 6.213 3.481 -1.395
103 HG3 LYS 17 2HG LYS 17 6.615 3.993 0.246
104 HD2 LYS 17 1HD LYS 17 8.083 5.296 -0.916
105 HD3 LYS 17 2HD LYS 17 9.083 3.855 -0.717
106 HE2 LYS 17 1HE LYS 17 9.342 4.174 -2.958
107 HE3 LYS 17 2HE LYS 17 7.894 3.170 -2.982
108 HZ1 LYS 17 3HZ LYS 17 6.997 4.809 -4.166
109 HZ2 LYS 17 1HZ LYS 17 8.230 5.902 -3.779
110 HZ3 LYS 17 2HZ LYS 17 6.922 5.694 -2.726
111 H CYS 18 H CYS 18 5.873 -0.270 0.277
112 HA CYS 18 HA CYS 18 7.803 -2.458 0.391
113 HB2 CYS 18 1HB CYS 18 6.481 -3.209 2.351
114 HB3 CYS 18 2HB CYS 18 7.076 -1.561 2.525
115 H GLY 19 H GLY 19 4.393 -1.861 -0.340
116 HA2 GLY 19 1HA GLY 19 3.146 -3.025 -1.959
117 HA3 GLY 19 2HA GLY 19 4.360 -4.295 -1.950
118 H LYS 20 H LYS 20 2.695 -2.918 0.845
119 HA LYS 20 HA LYS 20 1.848 -5.595 1.613
120 HB2 LYS 20 1HB LYS 20 1.809 -2.936 3.040
121 HB3 LYS 20 2HB LYS 20 1.094 -4.393 3.718
122 HG2 LYS 20 1HG LYS 20 3.970 -4.254 2.865
123 HG3 LYS 20 2HG LYS 20 3.430 -3.808 4.485
124 HD2 LYS 20 1HD LYS 20 2.611 -6.012 4.898
125 HD3 LYS 20 2HD LYS 20 2.850 -6.478 3.213
126 HE2 LYS 20 1HE LYS 20 5.086 -5.650 5.054
127 HE3 LYS 20 2HE LYS 20 4.589 -7.324 4.813
128 HZ1 LYS 20 3HZ LYS 20 5.551 -5.498 2.678
129 HZ2 LYS 20 1HZ LYS 20 5.109 -7.118 2.473
130 HZ3 LYS 20 2HZ LYS 20 6.465 -6.722 3.403
131 H GLY 21 H GLY 21 -0.383 -5.831 2.566
132 HA2 GLY 21 1HA GLY 21 -2.302 -4.641 0.691
133 HA3 GLY 21 2HA GLY 21 -2.557 -6.100 1.637
134 H TYR 22 H TYR 22 -4.449 -4.059 1.478
135 HA TYR 22 HA TYR 22 -4.854 -3.525 4.259
136 HB2 TYR 22 1HB TYR 22 -4.196 -1.242 2.398
137 HB3 TYR 22 2HB TYR 22 -5.065 -1.016 3.912
138 HD1 TYR 22 HD1 TYR 22 -3.911 -1.767 6.067
139 HD2 TYR 22 HD2 TYR 22 -1.856 -1.314 2.368
140 HE1 TYR 22 HE1 TYR 22 -1.774 -1.629 7.277
141 HE2 TYR 22 HE2 TYR 22 0.286 -1.176 3.569
142 HH TYR 22 HH TYR 22 0.451 -1.572 7.086
143 H ASN 23 H ASN 23 -6.967 -3.629 4.638
144 HA ASN 23 HA ASN 23 -8.802 -3.481 2.370
145 HB2 ASN 23 1HB ASN 23 -9.460 -4.334 5.190
146 HB3 ASN 23 2HB ASN 23 -10.368 -4.673 3.720
147 HD21 ASN 23 1HD2 ASN 23 -9.987 -6.511 2.686
148 HD22 ASN 23 2HD2 ASN 23 -8.673 -7.587 3.007
149 H SER 24 H SER 24 -7.723 -1.034 3.296
150 HA SER 24 HA SER 24 -10.120 0.458 3.651
151 HB2 SER 24 1HB SER 24 -8.388 -0.076 6.024
152 HB3 SER 24 2HB SER 24 -9.091 1.532 5.852
153 HG SER 24 HG SER 24 -10.598 -0.865 5.715
154 H LYS 25 H LYS 25 -9.755 2.106 2.339
155 HA LYS 25 HA LYS 25 -7.330 2.922 1.314
156 HB2 LYS 25 1HB LYS 25 -9.588 3.545 0.440
157 HB3 LYS 25 2HB LYS 25 -9.728 4.710 1.751
158 HG2 LYS 25 1HG LYS 25 -8.084 6.092 0.868
159 HG3 LYS 25 2HG LYS 25 -7.412 4.809 -0.141
160 HD2 LYS 25 1HD LYS 25 -10.218 5.746 -0.584
161 HD3 LYS 25 2HD LYS 25 -8.864 6.682 -1.223
162 HE2 LYS 25 1HE LYS 25 -8.052 4.509 -2.260
163 HE3 LYS 25 2HE LYS 25 -9.634 3.843 -1.854
164 HZ1 LYS 25 3HZ LYS 25 -10.420 6.010 -3.093
165 HZ2 LYS 25 1HZ LYS 25 -10.049 4.594 -3.941
166 HZ3 LYS 25 2HZ LYS 25 -8.919 5.850 -3.857
167 H PHE 26 H PHE 26 -9.159 4.537 3.918
168 HA PHE 26 HA PHE 26 -7.407 6.540 4.557
169 HB2 PHE 26 1HB PHE 26 -9.706 5.920 5.593
170 HB3 PHE 26 2HB PHE 26 -8.758 4.979 6.740
171 HD1 PHE 26 HD1 PHE 26 -7.000 6.171 8.108
172 HD2 PHE 26 HD2 PHE 26 -9.966 8.226 5.851
173 HE1 PHE 26 HE1 PHE 26 -6.616 8.195 9.453
174 HE2 PHE 26 HE2 PHE 26 -9.586 10.254 7.191
175 HZ PHE 26 HZ PHE 26 -7.909 10.241 8.994
176 H ASN 27 H ASN 27 -7.434 3.291 6.026
177 HA ASN 27 HA ASN 27 -5.262 3.503 7.683
178 HB2 ASN 27 1HB ASN 27 -6.842 1.503 7.290
179 HB3 ASN 27 2HB ASN 27 -5.708 1.026 6.029
180 HD21 ASN 27 1HD2 ASN 27 -6.533 0.400 9.068
181 HD22 ASN 27 2HD2 ASN 27 -5.009 -0.076 9.726
182 H LEU 28 H LEU 28 -5.150 2.309 4.322
183 HA LEU 28 HA LEU 28 -2.491 1.917 3.978
184 HB2 LEU 28 1HB LEU 28 -4.227 1.581 2.254
185 HB3 LEU 28 2HB LEU 28 -4.281 3.325 2.002
186 HG LEU 28 HG LEU 28 -1.798 3.120 1.391
187 HD11 LEU 28 1HD1 LEU 28 -2.477 0.287 0.732
188 HD12 LEU 28 2HD1 LEU 28 -1.813 0.696 2.313
189 HD13 LEU 28 3HD1 LEU 28 -0.899 1.064 0.851
190 HD21 LEU 28 3HD2 LEU 28 -2.835 3.589 -0.528
191 HD22 LEU 28 1HD2 LEU 28 -4.209 2.554 -0.136
192 HD23 LEU 28 2HD2 LEU 28 -2.758 1.858 -0.860
193 H ASP 29 H ASP 29 -4.124 5.048 3.494
194 HA ASP 29 HA ASP 29 -1.908 6.588 2.893
195 HB2 ASP 29 1HB ASP 29 -3.923 7.706 2.619
196 HB3 ASP 29 2HB ASP 29 -4.540 7.190 4.186
197 H MET 30 H MET 30 -3.316 5.969 6.104
198 HA MET 30 HA MET 30 -1.476 7.453 7.593
199 HB2 MET 30 1HB MET 30 -3.210 5.087 8.247
200 HB3 MET 30 2HB MET 30 -2.114 5.761 9.446
201 HG2 MET 30 1HG MET 30 -3.289 8.011 8.796
202 HG3 MET 30 2HG MET 30 -4.570 6.932 8.248
203 HE1 MET 30 3HE MET 30 -6.329 5.669 10.192
204 HE2 MET 30 1HE MET 30 -4.900 4.735 9.748
205 HE3 MET 30 2HE MET 30 -5.354 4.898 11.444
206 H HIS 31 H HIS 31 -1.116 4.463 5.957
207 HA HIS 31 HA HIS 31 1.204 3.654 7.518
208 HB2 HIS 31 1HB HIS 31 -0.014 1.772 6.912
209 HB3 HIS 31 2HB HIS 31 -0.403 2.410 5.317
210 HD1 HIS 31 HD1 HIS 31 2.411 0.777 7.218
211 HD2 HIS 31 HD2 HIS 31 1.363 1.730 3.312
212 HE1 HIS 31 HE1 HIS 31 4.102 -0.387 5.766
213 H GLN 32 H GLN 32 0.419 4.981 4.359
214 HA GLN 32 HA GLN 32 2.750 4.691 2.969
215 HB2 GLN 32 1HB GLN 32 0.851 7.024 3.110
216 HB3 GLN 32 2HB GLN 32 2.220 7.006 2.007
217 HG2 GLN 32 1HG GLN 32 1.362 5.146 0.825
218 HG3 GLN 32 2HG GLN 32 0.136 4.845 2.056
219 HE21 GLN 32 1HE2 GLN 32 -1.628 5.025 0.762
220 HE22 GLN 32 2HE2 GLN 32 -2.108 6.493 -0.010
221 H LYS 33 H LYS 33 2.043 7.148 5.425
222 HA LYS 33 HA LYS 33 4.426 8.597 5.222
223 HB2 LYS 33 1HB LYS 33 3.910 9.472 7.417
224 HB3 LYS 33 2HB LYS 33 2.425 9.338 6.484
225 HG2 LYS 33 1HG LYS 33 1.580 7.684 7.801
226 HG3 LYS 33 2HG LYS 33 3.174 7.062 8.236
227 HD2 LYS 33 1HD LYS 33 3.506 9.147 9.596
228 HD3 LYS 33 2HD LYS 33 1.810 9.534 9.294
229 HE2 LYS 33 1HE LYS 33 1.863 8.466 11.396
230 HE3 LYS 33 2HE LYS 33 1.259 7.261 10.260
231 HZ1 LYS 33 3HZ LYS 33 2.826 6.106 11.478
232 HZ2 LYS 33 1HZ LYS 33 3.898 7.412 11.564
233 HZ3 LYS 33 2HZ LYS 33 3.713 6.564 10.112
234 H VAL 34 H VAL 34 3.701 5.574 6.807
235 HA VAL 34 HA VAL 34 5.624 5.227 8.669
236 HB VAL 34 HB VAL 34 4.899 3.213 6.536
237 HG11 VAL 34 1HG1 VAL 34 5.807 1.524 7.888
238 HG12 VAL 34 2HG1 VAL 34 7.023 2.803 7.890
239 HG13 VAL 34 3HG1 VAL 34 5.956 2.598 9.279
240 HG21 VAL 34 3HG2 VAL 34 3.811 3.292 9.326
241 HG22 VAL 34 1HG2 VAL 34 3.087 4.267 8.047
242 HG23 VAL 34 2HG2 VAL 34 3.145 2.511 7.892
243 H HIS 35 H HIS 35 6.120 4.864 5.167
244 HA HIS 35 HA HIS 35 8.884 4.251 5.363
245 HB2 HIS 35 1HB HIS 35 7.477 5.461 2.980
246 HB3 HIS 35 2HB HIS 35 8.946 4.488 2.977
247 HD1 HIS 35 HD1 HIS 35 8.371 1.964 4.216
248 HD2 HIS 35 HD2 HIS 35 5.388 3.985 2.146
249 HE1 HIS 35 HE1 HIS 35 6.662 0.217 3.622
250 H THR 36 H THR 36 10.178 5.664 6.386
251 HA THR 36 HA THR 36 10.152 8.458 5.443
252 HB THR 36 HB THR 36 11.078 9.083 7.679
253 HG1 THR 36 HG1 THR 36 11.420 7.580 9.146
254 HG21 THR 36 3HG2 THR 36 8.927 8.879 8.890
255 HG22 THR 36 1HG2 THR 36 8.365 7.754 7.654
256 HG23 THR 36 2HG2 THR 36 8.722 9.428 7.227
257 H GLY 37 H GLY 37 11.704 7.965 3.828
258 HA2 GLY 37 1HA GLY 37 14.267 6.866 4.612
259 HA3 GLY 37 2HA GLY 37 13.807 7.402 3.003
260 H GLU 38 H GLU 38 14.599 8.644 6.237
261 HA GLU 38 HA GLU 38 16.338 10.629 5.065
262 HB2 GLU 38 1HB GLU 38 13.837 11.489 5.230
263 HB3 GLU 38 2HB GLU 38 14.279 11.752 6.911
264 HG2 GLU 38 1HG GLU 38 14.699 13.790 5.873
265 HG3 GLU 38 2HG GLU 38 16.286 13.035 6.010
266 H ARG 39 H ARG 39 18.090 10.712 6.292
267 HA ARG 39 HA ARG 39 17.813 10.395 9.200
268 HB2 ARG 39 1HB ARG 39 18.535 8.241 8.476
269 HB3 ARG 39 2HB ARG 39 19.728 8.934 7.386
270 HG2 ARG 39 1HG ARG 39 20.734 9.924 9.582
271 HG3 ARG 39 2HG ARG 39 19.820 8.621 10.346
272 HD2 ARG 39 1HD ARG 39 21.023 6.962 9.218
273 HD3 ARG 39 2HD ARG 39 21.633 8.097 8.015
274 HE ARG 39 HE ARG 39 23.307 8.717 9.475
275 HH11 ARG 39 1HH1 ARG 39 20.982 6.703 11.104
276 HH12 ARG 39 2HH1 ARG 39 21.969 6.475 12.510
277 HH21 ARG 39 1HH2 ARG 39 24.616 8.425 11.320
278 HH22 ARG 39 2HH2 ARG 39 24.036 7.456 12.632
279 HA PRO 40 HA PRO 40 20.354 13.986 9.366
280 HB2 PRO 40 1HB PRO 40 21.289 13.731 11.902
281 HB3 PRO 40 2HB PRO 40 19.629 14.213 11.534
282 HG2 PRO 40 1HG PRO 40 20.693 11.525 12.310
283 HG3 PRO 40 2HG PRO 40 19.225 12.349 12.865
284 HD2 PRO 40 1HD PRO 40 19.180 10.406 10.980
285 HD3 PRO 40 2HD PRO 40 18.031 11.760 10.984
286 H SER 41 H SER 41 22.642 14.605 10.147
287 HA SER 41 HA SER 41 24.491 12.815 8.845
288 HB2 SER 41 1HB SER 41 24.541 15.335 8.624
289 HB3 SER 41 2HB SER 41 25.139 15.396 10.282
290 HG SER 41 HG SER 41 27.002 14.474 9.664
291 H GLY 42 H GLY 42 25.588 11.257 9.825
292 HA2 GLY 42 1HA GLY 42 25.965 11.443 12.748
293 HA3 GLY 42 2HA GLY 42 25.803 9.933 11.863
294 HA PRO 43 HA PRO 43 30.325 11.574 12.212
295 HB2 PRO 43 1HB PRO 43 31.091 10.547 14.606
296 HB3 PRO 43 2HB PRO 43 30.431 12.177 14.427
297 HG2 PRO 43 1HG PRO 43 29.063 9.666 15.312
298 HG3 PRO 43 2HG PRO 43 28.938 11.303 15.981
299 HD2 PRO 43 1HD PRO 43 27.067 10.260 14.324
300 HD3 PRO 43 2HD PRO 43 27.458 11.991 14.352
301 H SER 44 H SER 44 28.540 8.774 12.203
302 HA SER 44 HA SER 44 30.894 7.027 12.028
303 HB2 SER 44 1HB SER 44 27.975 6.495 12.527
304 HB3 SER 44 2HB SER 44 29.053 5.204 11.999
305 HG SER 44 HG SER 44 29.437 5.054 14.068
306 H SER 45 H SER 45 27.893 7.832 10.308
307 HA SER 45 HA SER 45 27.299 7.682 8.116
308 HB2 SER 45 1HB SER 45 29.435 9.074 7.954
309 HB3 SER 45 2HB SER 45 30.246 7.586 7.467
310 HG SER 45 HG SER 45 28.250 7.594 5.919
311 H GLY 46 H GLY 46 27.403 5.272 9.545
312 HA2 GLY 46 1HA GLY 46 27.217 3.386 7.484
313 HA3 GLY 46 2HA GLY 46 28.799 3.208 8.229
Start of MODEL 6
1 H1 GLY 1 H GLY 1 2.849 -24.392 -0.513
2 HA2 GLY 1 1HA GLY 1 1.818 -23.154 1.416
3 HA3 GLY 1 2HA GLY 1 1.038 -24.694 1.086
4 H SER 2 H SER 2 2.722 -22.827 3.367
5 HA SER 2 HA SER 2 2.214 -24.652 5.467
6 HB2 SER 2 1HB SER 2 4.294 -25.620 4.234
7 HB3 SER 2 2HB SER 2 5.163 -24.298 5.014
8 HG SER 2 HG SER 2 5.134 -26.282 6.234
9 H SER 3 H SER 3 2.058 -23.539 7.314
10 HA SER 3 HA SER 3 1.908 -21.669 8.631
11 HB2 SER 3 1HB SER 3 4.863 -21.639 7.969
12 HB3 SER 3 2HB SER 3 4.114 -20.791 9.322
13 HG SER 3 HG SER 3 4.652 -23.492 8.989
14 H GLY 4 H GLY 4 1.097 -21.075 6.049
15 HA2 GLY 4 1HA GLY 4 1.078 -18.310 6.005
16 HA3 GLY 4 2HA GLY 4 2.420 -18.792 4.977
17 H SER 5 H SER 5 -0.997 -19.665 5.510
18 HA SER 5 HA SER 5 -1.266 -20.077 2.616
19 HB2 SER 5 1HB SER 5 -3.310 -21.308 3.142
20 HB3 SER 5 2HB SER 5 -1.964 -21.940 4.089
21 HG SER 5 HG SER 5 -4.276 -20.974 4.964
22 H SER 6 H SER 6 -2.610 -18.872 1.381
23 HA SER 6 HA SER 6 -4.088 -16.710 2.735
24 HB2 SER 6 1HB SER 6 -2.125 -15.922 1.422
25 HB3 SER 6 2HB SER 6 -2.847 -16.623 -0.026
26 HG SER 6 HG SER 6 -4.072 -14.932 -0.179
27 H GLY 7 H GLY 7 -5.871 -15.795 1.276
28 HA2 GLY 7 1HA GLY 7 -7.094 -17.110 -0.793
29 HA3 GLY 7 2HA GLY 7 -7.648 -17.955 0.645
30 H THR 8 H THR 8 -9.411 -17.201 1.615
31 HA THR 8 HA THR 8 -11.045 -15.251 0.624
32 HB THR 8 HB THR 8 -10.822 -15.914 3.566
33 HG1 THR 8 HG1 THR 8 -12.407 -17.196 1.574
34 HG21 THR 8 3HG2 THR 8 -13.271 -15.136 1.995
35 HG22 THR 8 1HG2 THR 8 -12.267 -13.959 2.840
36 HG23 THR 8 2HG2 THR 8 -13.085 -15.232 3.746
37 H GLY 9 H GLY 9 -10.742 -13.148 0.322
38 HA2 GLY 9 1HA GLY 9 -10.532 -11.099 1.919
39 HA3 GLY 9 2HA GLY 9 -8.892 -11.707 2.089
40 H GLU 10 H GLU 10 -10.371 -9.279 0.768
41 HA GLU 10 HA GLU 10 -8.833 -9.383 -1.744
42 HB2 GLU 10 1HB GLU 10 -11.477 -9.222 -1.717
43 HB3 GLU 10 2HB GLU 10 -11.143 -7.519 -1.435
44 HG2 GLU 10 1HG GLU 10 -9.881 -9.009 -3.706
45 HG3 GLU 10 2HG GLU 10 -11.487 -8.295 -3.841
46 H LYS 11 H LYS 11 -7.091 -8.146 -1.629
47 HA LYS 11 HA LYS 11 -7.181 -5.713 0.024
48 HB2 LYS 11 1HB LYS 11 -4.883 -7.458 -0.858
49 HB3 LYS 11 2HB LYS 11 -4.647 -5.869 -0.141
50 HG2 LYS 11 1HG LYS 11 -4.414 -7.281 1.666
51 HG3 LYS 11 2HG LYS 11 -6.102 -6.781 1.789
52 HD2 LYS 11 1HD LYS 11 -6.079 -9.122 2.138
53 HD3 LYS 11 2HD LYS 11 -6.683 -8.877 0.497
54 HE2 LYS 11 1HE LYS 11 -4.549 -9.445 -0.436
55 HE3 LYS 11 2HE LYS 11 -3.808 -9.490 1.163
56 HZ1 LYS 11 3HZ LYS 11 -5.571 -11.443 -0.123
57 HZ2 LYS 11 1HZ LYS 11 -5.649 -11.286 1.559
58 HZ3 LYS 11 2HZ LYS 11 -4.187 -11.694 0.815
59 HA PRO 12 HA PRO 12 -7.182 -4.134 -4.310
60 HB2 PRO 12 1HB PRO 12 -8.807 -2.028 -3.769
61 HB3 PRO 12 2HB PRO 12 -9.420 -3.640 -4.155
62 HG2 PRO 12 1HG PRO 12 -9.081 -2.332 -1.484
63 HG3 PRO 12 2HG PRO 12 -10.435 -3.304 -2.090
64 HD2 PRO 12 1HD PRO 12 -8.535 -4.316 -0.446
65 HD3 PRO 12 2HD PRO 12 -9.351 -5.297 -1.680
66 H TYR 13 H TYR 13 -6.423 -2.808 -1.203
67 HA TYR 13 HA TYR 13 -4.995 -0.559 -2.441
68 HB2 TYR 13 1HB TYR 13 -6.025 -1.055 0.339
69 HB3 TYR 13 2HB TYR 13 -4.781 0.155 0.042
70 HD1 TYR 13 HD2 TYR 13 -5.384 1.784 -2.011
71 HD2 TYR 13 HD1 TYR 13 -8.207 -0.321 0.377
72 HE1 TYR 13 HE2 TYR 13 -7.116 3.420 -2.625
73 HE2 TYR 13 HE1 TYR 13 -9.946 1.308 -0.232
74 HH TYR 13 HH TYR 13 -9.419 3.728 -2.681
75 H LYS 14 H LYS 14 -3.140 -1.573 -3.151
76 HA LYS 14 HA LYS 14 -1.494 -2.929 -1.129
77 HB2 LYS 14 1HB LYS 14 -2.081 -4.031 -3.377
78 HB3 LYS 14 2HB LYS 14 -0.950 -2.887 -4.090
79 HG2 LYS 14 1HG LYS 14 -0.035 -4.528 -1.787
80 HG3 LYS 14 2HG LYS 14 -0.196 -5.298 -3.368
81 HD2 LYS 14 1HD LYS 14 1.287 -2.711 -3.051
82 HD3 LYS 14 2HD LYS 14 2.075 -4.257 -2.725
83 HE2 LYS 14 1HE LYS 14 1.831 -4.974 -4.942
84 HE3 LYS 14 2HE LYS 14 0.612 -3.751 -5.296
85 HZ1 LYS 14 3HZ LYS 14 2.424 -2.072 -4.931
86 HZ2 LYS 14 1HZ LYS 14 2.597 -3.037 -6.310
87 HZ3 LYS 14 2HZ LYS 14 3.525 -3.357 -4.933
88 H CYS 15 H CYS 15 0.252 -1.958 -0.335
89 HA CYS 15 HA CYS 15 0.927 0.700 -1.068
90 HB2 CYS 15 1HB CYS 15 1.211 -0.254 1.221
91 HB3 CYS 15 2HB CYS 15 2.538 -1.235 0.607
92 H GLU 16 H GLU 16 2.352 1.454 -2.503
93 HA GLU 16 HA GLU 16 3.845 -0.466 -4.105
94 HB2 GLU 16 1HB GLU 16 2.967 2.358 -4.444
95 HB3 GLU 16 2HB GLU 16 4.411 1.846 -5.305
96 HG2 GLU 16 1HG GLU 16 3.267 0.423 -6.671
97 HG3 GLU 16 2HG GLU 16 1.986 0.143 -5.493
98 H LYS 17 H LYS 17 4.483 0.771 -1.281
99 HA LYS 17 HA LYS 17 7.189 1.733 -1.855
100 HB2 LYS 17 1HB LYS 17 5.690 1.667 0.770
101 HB3 LYS 17 2HB LYS 17 7.245 2.437 0.483
102 HG2 LYS 17 1HG LYS 17 4.914 3.268 -1.169
103 HG3 LYS 17 2HG LYS 17 5.022 3.825 0.503
104 HD2 LYS 17 1HD LYS 17 7.442 4.494 -0.131
105 HD3 LYS 17 2HD LYS 17 6.868 4.365 -1.795
106 HE2 LYS 17 1HE LYS 17 5.542 6.053 0.321
107 HE3 LYS 17 2HE LYS 17 6.742 6.665 -0.816
108 HZ1 LYS 17 3HZ LYS 17 4.238 5.339 -1.683
109 HZ2 LYS 17 1HZ LYS 17 5.313 6.245 -2.625
110 HZ3 LYS 17 2HZ LYS 17 4.360 7.011 -1.457
111 H CYS 18 H CYS 18 5.550 -0.613 0.268
112 HA CYS 18 HA CYS 18 8.074 -2.125 0.402
113 HB2 CYS 18 1HB CYS 18 7.062 -3.177 2.452
114 HB3 CYS 18 2HB CYS 18 7.400 -1.455 2.599
115 H GLY 19 H GLY 19 4.541 -2.551 0.237
116 HA2 GLY 19 1HA GLY 19 3.791 -4.006 -1.648
117 HA3 GLY 19 2HA GLY 19 5.034 -5.131 -1.120
118 H LYS 20 H LYS 20 2.807 -3.278 0.906
119 HA LYS 20 HA LYS 20 1.811 -5.823 1.985
120 HB2 LYS 20 1HB LYS 20 2.892 -3.851 3.387
121 HB3 LYS 20 2HB LYS 20 1.259 -3.203 3.307
122 HG2 LYS 20 1HG LYS 20 1.203 -4.380 5.277
123 HG3 LYS 20 2HG LYS 20 0.566 -5.567 4.137
124 HD2 LYS 20 1HD LYS 20 2.505 -6.826 4.162
125 HD3 LYS 20 2HD LYS 20 3.503 -5.467 4.683
126 HE2 LYS 20 1HE LYS 20 3.386 -6.732 6.608
127 HE3 LYS 20 2HE LYS 20 2.062 -5.592 6.847
128 HZ1 LYS 20 3HZ LYS 20 1.745 -8.337 5.758
129 HZ2 LYS 20 1HZ LYS 20 0.503 -7.250 6.131
130 HZ3 LYS 20 2HZ LYS 20 1.455 -7.902 7.367
131 H GLY 21 H GLY 21 -0.440 -6.085 2.415
132 HA2 GLY 21 1HA GLY 21 -2.106 -4.599 0.504
133 HA3 GLY 21 2HA GLY 21 -2.480 -6.177 1.179
134 H TYR 22 H TYR 22 -4.220 -3.898 1.079
135 HA TYR 22 HA TYR 22 -4.836 -3.722 3.924
136 HB2 TYR 22 1HB TYR 22 -4.232 -1.383 2.147
137 HB3 TYR 22 2HB TYR 22 -5.383 -1.208 3.467
138 HD1 TYR 22 HD2 TYR 22 -1.863 -1.914 2.628
139 HD2 TYR 22 HD1 TYR 22 -4.650 -1.110 5.741
140 HE1 TYR 22 HE2 TYR 22 -0.001 -1.545 4.192
141 HE2 TYR 22 HE1 TYR 22 -2.795 -0.738 7.313
142 HH TYR 22 HH TYR 22 0.573 -1.218 6.328
143 H ASN 23 H ASN 23 -7.031 -3.127 4.361
144 HA ASN 23 HA ASN 23 -8.812 -3.532 2.049
145 HB2 ASN 23 1HB ASN 23 -8.945 -4.539 4.869
146 HB3 ASN 23 2HB ASN 23 -10.434 -4.311 3.956
147 HD21 ASN 23 1HD2 ASN 23 -7.570 -6.184 4.342
148 HD22 ASN 23 2HD2 ASN 23 -7.969 -7.423 3.206
149 H SER 24 H SER 24 -7.729 -1.013 3.199
150 HA SER 24 HA SER 24 -10.196 0.454 3.213
151 HB2 SER 24 1HB SER 24 -8.687 -0.015 5.744
152 HB3 SER 24 2HB SER 24 -9.371 1.589 5.477
153 HG SER 24 HG SER 24 -10.793 -0.868 5.397
154 H LYS 25 H LYS 25 -9.913 2.542 2.578
155 HA LYS 25 HA LYS 25 -7.470 3.268 1.376
156 HB2 LYS 25 1HB LYS 25 -8.526 5.346 0.828
157 HB3 LYS 25 2HB LYS 25 -9.740 4.081 0.693
158 HG2 LYS 25 1HG LYS 25 -10.546 4.699 2.963
159 HG3 LYS 25 2HG LYS 25 -9.420 6.058 2.939
160 HD2 LYS 25 1HD LYS 25 -11.283 5.737 0.642
161 HD3 LYS 25 2HD LYS 25 -11.941 6.321 2.173
162 HE2 LYS 25 1HE LYS 25 -10.086 8.038 2.166
163 HE3 LYS 25 2HE LYS 25 -9.753 7.546 0.506
164 HZ1 LYS 25 3HZ LYS 25 -11.962 8.195 -0.129
165 HZ2 LYS 25 1HZ LYS 25 -11.215 9.495 0.655
166 HZ3 LYS 25 2HZ LYS 25 -12.369 8.566 1.471
167 H PHE 26 H PHE 26 -9.048 4.389 4.355
168 HA PHE 26 HA PHE 26 -7.182 6.318 5.097
169 HB2 PHE 26 1HB PHE 26 -9.480 5.698 6.147
170 HB3 PHE 26 2HB PHE 26 -8.543 4.586 7.139
171 HD1 PHE 26 HD1 PHE 26 -6.998 5.407 8.810
172 HD2 PHE 26 HD2 PHE 26 -9.282 8.087 6.420
173 HE1 PHE 26 HE1 PHE 26 -6.456 7.242 10.357
174 HE2 PHE 26 HE2 PHE 26 -8.744 9.927 7.962
175 HZ PHE 26 HZ PHE 26 -7.329 9.506 9.933
176 H ASN 27 H ASN 27 -7.364 2.927 6.190
177 HA ASN 27 HA ASN 27 -5.131 2.805 7.763
178 HB2 ASN 27 1HB ASN 27 -6.032 0.664 5.823
179 HB3 ASN 27 2HB ASN 27 -5.022 0.415 7.244
180 HD21 ASN 27 1HD2 ASN 27 -6.684 -1.134 7.819
181 HD22 ASN 27 2HD2 ASN 27 -8.105 -0.581 8.631
182 H LEU 28 H LEU 28 -5.288 2.743 4.250
183 HA LEU 28 HA LEU 28 -2.505 2.167 3.894
184 HB2 LEU 28 1HB LEU 28 -4.159 1.570 2.206
185 HB3 LEU 28 2HB LEU 28 -4.550 3.273 1.974
186 HG LEU 28 HG LEU 28 -2.161 3.588 1.207
187 HD11 LEU 28 1HD1 LEU 28 -0.711 1.904 1.172
188 HD12 LEU 28 2HD1 LEU 28 -1.871 0.825 0.397
189 HD13 LEU 28 3HD1 LEU 28 -1.867 1.000 2.152
190 HD21 LEU 28 3HD2 LEU 28 -4.405 2.352 -0.166
191 HD22 LEU 28 1HD2 LEU 28 -2.855 1.976 -0.920
192 HD23 LEU 28 2HD2 LEU 28 -3.337 3.656 -0.686
193 H ASP 29 H ASP 29 -4.507 5.087 3.710
194 HA ASP 29 HA ASP 29 -2.619 6.907 2.840
195 HB2 ASP 29 1HB ASP 29 -4.926 7.558 3.058
196 HB3 ASP 29 2HB ASP 29 -4.892 7.279 4.797
197 H MET 30 H MET 30 -3.167 5.658 6.094
198 HA MET 30 HA MET 30 -1.290 7.399 7.356
199 HB2 MET 30 1HB MET 30 -2.793 4.943 8.174
200 HB3 MET 30 2HB MET 30 -1.463 5.512 9.174
201 HG2 MET 30 1HG MET 30 -2.595 7.734 9.274
202 HG3 MET 30 2HG MET 30 -3.972 7.001 8.455
203 HE1 MET 30 3HE MET 30 -2.597 7.617 12.245
204 HE2 MET 30 1HE MET 30 -3.514 8.572 11.080
205 HE3 MET 30 2HE MET 30 -4.345 7.780 12.419
206 H HIS 31 H HIS 31 -1.169 3.865 6.860
207 HA HIS 31 HA HIS 31 1.343 3.261 7.567
208 HB2 HIS 31 1HB HIS 31 -0.062 1.545 6.668
209 HB3 HIS 31 2HB HIS 31 -0.123 2.335 5.094
210 HD1 HIS 31 HD1 HIS 31 2.235 0.395 7.309
211 HD2 HIS 31 HD2 HIS 31 1.916 1.672 3.369
212 HE1 HIS 31 HE1 HIS 31 4.091 -0.768 6.073
213 H GLN 32 H GLN 32 0.441 5.091 4.721
214 HA GLN 32 HA GLN 32 2.775 5.040 3.252
215 HB2 GLN 32 1HB GLN 32 0.716 7.189 3.673
216 HB3 GLN 32 2HB GLN 32 2.106 7.459 2.630
217 HG2 GLN 32 1HG GLN 32 1.453 5.617 1.216
218 HG3 GLN 32 2HG GLN 32 0.116 5.227 2.297
219 HE21 GLN 32 1HE2 GLN 32 -1.117 5.445 0.283
220 HE22 GLN 32 2HE2 GLN 32 -1.672 7.015 -0.178
221 H LYS 33 H LYS 33 1.937 7.244 5.912
222 HA LYS 33 HA LYS 33 4.146 8.867 5.944
223 HB2 LYS 33 1HB LYS 33 3.590 9.430 8.136
224 HB3 LYS 33 2HB LYS 33 2.066 8.842 7.484
225 HG2 LYS 33 1HG LYS 33 2.286 6.766 8.615
226 HG3 LYS 33 2HG LYS 33 3.954 7.120 9.068
227 HD2 LYS 33 1HD LYS 33 2.802 7.586 11.022
228 HD3 LYS 33 2HD LYS 33 2.920 9.178 10.269
229 HE2 LYS 33 1HE LYS 33 0.695 9.088 10.903
230 HE3 LYS 33 2HE LYS 33 0.630 8.575 9.217
231 HZ1 LYS 33 3HZ LYS 33 0.185 6.420 9.796
232 HZ2 LYS 33 1HZ LYS 33 -0.606 7.233 11.051
233 HZ3 LYS 33 2HZ LYS 33 0.915 6.542 11.317
234 H VAL 34 H VAL 34 3.968 5.509 6.723
235 HA VAL 34 HA VAL 34 6.187 5.201 8.384
236 HB VAL 34 HB VAL 34 5.217 3.273 6.269
237 HG11 VAL 34 1HG1 VAL 34 6.232 1.560 7.735
238 HG12 VAL 34 2HG1 VAL 34 7.420 2.678 7.062
239 HG13 VAL 34 3HG1 VAL 34 6.897 2.849 8.738
240 HG21 VAL 34 3HG2 VAL 34 3.580 4.162 8.075
241 HG22 VAL 34 1HG2 VAL 34 3.682 2.426 7.783
242 HG23 VAL 34 2HG2 VAL 34 4.504 3.136 9.173
243 H HIS 35 H HIS 35 5.977 5.210 4.843
244 HA HIS 35 HA HIS 35 8.874 4.999 4.623
245 HB2 HIS 35 1HB HIS 35 6.955 5.353 2.329
246 HB3 HIS 35 2HB HIS 35 8.554 4.613 2.316
247 HD1 HIS 35 HD1 HIS 35 8.693 2.257 3.673
248 HD2 HIS 35 HD2 HIS 35 4.907 3.588 2.597
249 HE1 HIS 35 HE1 HIS 35 7.200 0.240 3.833
250 H THR 36 H THR 36 9.400 7.028 5.580
251 HA THR 36 HA THR 36 8.991 9.297 3.746
252 HB THR 36 HB THR 36 7.605 9.627 5.749
253 HG1 THR 36 HG1 THR 36 9.886 11.340 5.718
254 HG21 THR 36 3HG2 THR 36 8.305 9.220 7.834
255 HG22 THR 36 1HG2 THR 36 9.796 10.129 7.594
256 HG23 THR 36 2HG2 THR 36 9.706 8.437 7.103
257 H GLY 37 H GLY 37 11.182 7.632 3.545
258 HA2 GLY 37 1HA GLY 37 13.349 9.198 4.800
259 HA3 GLY 37 2HA GLY 37 13.493 7.514 4.317
260 H GLU 38 H GLU 38 12.629 7.404 1.803
261 HA GLU 38 HA GLU 38 14.753 8.543 0.329
262 HB2 GLU 38 1HB GLU 38 13.293 6.431 -0.147
263 HB3 GLU 38 2HB GLU 38 12.236 7.566 -0.975
264 HG2 GLU 38 1HG GLU 38 14.039 8.216 -2.452
265 HG3 GLU 38 2HG GLU 38 15.153 7.155 -1.591
266 H ARG 39 H ARG 39 14.966 10.557 -0.357
267 HA ARG 39 HA ARG 39 12.603 12.018 -1.282
268 HB2 ARG 39 1HB ARG 39 12.832 12.823 0.953
269 HB3 ARG 39 2HB ARG 39 14.574 12.991 0.783
270 HG2 ARG 39 1HG ARG 39 13.901 14.667 -1.124
271 HG3 ARG 39 2HG ARG 39 12.390 14.743 -0.215
272 HD2 ARG 39 1HD ARG 39 13.560 16.420 0.808
273 HD3 ARG 39 2HD ARG 39 14.021 15.056 1.825
274 HE ARG 39 HE ARG 39 15.932 15.122 -0.116
275 HH11 ARG 39 1HH1 ARG 39 14.689 17.427 2.177
276 HH12 ARG 39 2HH1 ARG 39 16.187 18.286 2.324
277 HH21 ARG 39 1HH2 ARG 39 17.910 16.244 0.068
278 HH22 ARG 39 2HH2 ARG 39 18.018 17.612 1.123
279 HA PRO 40 HA PRO 40 15.261 13.073 -4.630
280 HB2 PRO 40 1HB PRO 40 13.929 15.246 -5.564
281 HB3 PRO 40 2HB PRO 40 13.346 13.593 -5.787
282 HG2 PRO 40 1HG PRO 40 12.519 15.635 -3.761
283 HG3 PRO 40 2HG PRO 40 11.510 14.528 -4.710
284 HD2 PRO 40 1HD PRO 40 12.166 14.049 -2.127
285 HD3 PRO 40 2HD PRO 40 11.927 12.746 -3.308
286 H SER 41 H SER 41 16.318 15.116 -5.588
287 HA SER 41 HA SER 41 17.421 16.674 -3.353
288 HB2 SER 41 1HB SER 41 18.570 16.103 -6.096
289 HB3 SER 41 2HB SER 41 19.348 17.096 -4.863
290 HG SER 41 HG SER 41 20.201 15.137 -4.524
291 H GLY 42 H GLY 42 15.434 18.013 -3.511
292 HA2 GLY 42 1HA GLY 42 15.660 20.517 -4.222
293 HA3 GLY 42 2HA GLY 42 15.401 19.826 -5.817
294 HA PRO 43 HA PRO 43 11.343 19.303 -3.177
295 HB2 PRO 43 1HB PRO 43 11.103 21.088 -1.146
296 HB3 PRO 43 2HB PRO 43 11.811 19.482 -0.935
297 HG2 PRO 43 1HG PRO 43 13.176 22.122 -1.297
298 HG3 PRO 43 2HG PRO 43 13.569 20.803 -0.178
299 HD2 PRO 43 1HD PRO 43 14.913 21.197 -2.495
300 HD3 PRO 43 2HD PRO 43 14.660 19.583 -1.801
301 H SER 44 H SER 44 9.453 20.374 -3.686
302 HA SER 44 HA SER 44 9.265 23.183 -4.043
303 HB2 SER 44 1HB SER 44 9.050 23.271 -6.473
304 HB3 SER 44 2HB SER 44 10.639 22.644 -6.035
305 HG SER 44 HG SER 44 8.383 21.159 -6.901
306 H SER 45 H SER 45 7.153 23.866 -4.495
307 HA SER 45 HA SER 45 4.881 23.748 -4.491
308 HB2 SER 45 1HB SER 45 5.318 21.003 -5.693
309 HB3 SER 45 2HB SER 45 3.801 21.903 -5.696
310 HG SER 45 HG SER 45 4.667 23.368 -7.085
311 H GLY 46 H GLY 46 6.164 23.155 -2.112
312 HA2 GLY 46 1HA GLY 46 5.594 20.814 -0.797
313 HA3 GLY 46 2HA GLY 46 5.605 22.389 -0.016
Start of MODEL 7
1 H1 GLY 1 H GLY 1 14.231 -13.689 -1.687
2 HA2 GLY 1 1HA GLY 1 12.132 -14.379 -0.501
3 HA3 GLY 1 2HA GLY 1 11.873 -12.663 -0.230
4 H SER 2 H SER 2 9.934 -14.175 -1.441
5 HA SER 2 HA SER 2 9.906 -12.995 -4.122
6 HB2 SER 2 1HB SER 2 9.564 -15.895 -3.444
7 HB3 SER 2 2HB SER 2 8.685 -15.213 -4.813
8 HG SER 2 HG SER 2 10.970 -16.136 -5.058
9 H SER 3 H SER 3 7.789 -12.666 -4.989
10 HA SER 3 HA SER 3 5.793 -12.287 -2.888
11 HB2 SER 3 1HB SER 3 5.861 -11.258 -5.735
12 HB3 SER 3 2HB SER 3 4.650 -10.838 -4.523
13 HG SER 3 HG SER 3 6.352 -9.281 -4.708
14 H GLY 4 H GLY 4 3.563 -12.862 -3.243
15 HA2 GLY 4 1HA GLY 4 2.937 -14.717 -5.378
16 HA3 GLY 4 2HA GLY 4 3.012 -15.443 -3.780
17 H SER 5 H SER 5 1.738 -14.075 -2.081
18 HA SER 5 HA SER 5 -0.961 -14.282 -2.661
19 HB2 SER 5 1HB SER 5 0.231 -12.402 -0.612
20 HB3 SER 5 2HB SER 5 -1.375 -13.131 -0.582
21 HG SER 5 HG SER 5 0.010 -15.193 -0.678
22 H SER 6 H SER 6 -1.850 -13.258 -4.355
23 HA SER 6 HA SER 6 -2.174 -10.403 -4.225
24 HB2 SER 6 1HB SER 6 0.015 -10.625 -5.390
25 HB3 SER 6 2HB SER 6 -0.780 -11.576 -6.644
26 HG SER 6 HG SER 6 -1.774 -9.034 -5.979
27 H GLY 7 H GLY 7 -4.297 -10.249 -4.507
28 HA2 GLY 7 1HA GLY 7 -5.492 -11.508 -6.868
29 HA3 GLY 7 2HA GLY 7 -6.188 -11.885 -5.299
30 H THR 8 H THR 8 -7.902 -10.851 -6.995
31 HA THR 8 HA THR 8 -7.984 -7.951 -6.619
32 HB THR 8 HB THR 8 -8.423 -8.786 -8.884
33 HG1 THR 8 HG1 THR 8 -10.599 -7.587 -7.499
34 HG21 THR 8 3HG2 THR 8 -9.765 -10.835 -7.655
35 HG22 THR 8 1HG2 THR 8 -9.844 -10.456 -9.375
36 HG23 THR 8 2HG2 THR 8 -11.084 -9.845 -8.279
37 H GLY 9 H GLY 9 -9.406 -6.942 -5.310
38 HA2 GLY 9 1HA GLY 9 -11.415 -6.693 -4.098
39 HA3 GLY 9 2HA GLY 9 -11.691 -8.422 -4.245
40 H GLU 10 H GLU 10 -9.207 -9.345 -3.303
41 HA GLU 10 HA GLU 10 -9.672 -9.291 -0.514
42 HB2 GLU 10 1HB GLU 10 -7.529 -10.413 -2.276
43 HB3 GLU 10 2HB GLU 10 -7.273 -10.366 -0.537
44 HG2 GLU 10 1HG GLU 10 -8.140 -12.486 -0.939
45 HG3 GLU 10 2HG GLU 10 -9.516 -11.558 -0.344
46 H LYS 11 H LYS 11 -7.178 -7.792 -2.547
47 HA LYS 11 HA LYS 11 -6.640 -5.912 -0.350
48 HB2 LYS 11 1HB LYS 11 -4.553 -7.124 -2.172
49 HB3 LYS 11 2HB LYS 11 -4.258 -5.933 -0.911
50 HG2 LYS 11 1HG LYS 11 -4.561 -7.459 0.790
51 HG3 LYS 11 2HG LYS 11 -5.526 -8.543 -0.214
52 HD2 LYS 11 1HD LYS 11 -3.646 -9.391 -1.311
53 HD3 LYS 11 2HD LYS 11 -2.634 -8.029 -0.824
54 HE2 LYS 11 1HE LYS 11 -1.875 -9.602 0.642
55 HE3 LYS 11 2HE LYS 11 -3.204 -8.940 1.593
56 HZ1 LYS 11 3HZ LYS 11 -3.960 -11.009 1.713
57 HZ2 LYS 11 1HZ LYS 11 -2.866 -11.571 0.551
58 HZ3 LYS 11 2HZ LYS 11 -4.345 -10.907 0.069
59 HA PRO 12 HA PRO 12 -7.751 -3.603 -4.188
60 HB2 PRO 12 1HB PRO 12 -9.214 -1.721 -2.890
61 HB3 PRO 12 2HB PRO 12 -9.885 -3.273 -3.404
62 HG2 PRO 12 1HG PRO 12 -8.904 -2.436 -0.703
63 HG3 PRO 12 2HG PRO 12 -10.354 -3.363 -1.128
64 HD2 PRO 12 1HD PRO 12 -8.093 -4.536 -0.212
65 HD3 PRO 12 2HD PRO 12 -9.179 -5.331 -1.369
66 H TYR 13 H TYR 13 -6.454 -2.635 -1.078
67 HA TYR 13 HA TYR 13 -5.053 -0.407 -2.407
68 HB2 TYR 13 1HB TYR 13 -5.897 -0.598 0.492
69 HB3 TYR 13 2HB TYR 13 -5.010 0.739 -0.232
70 HD1 TYR 13 HD2 TYR 13 -6.247 1.679 -2.458
71 HD2 TYR 13 HD1 TYR 13 -8.147 -0.257 0.821
72 HE1 TYR 13 HE2 TYR 13 -8.369 2.772 -3.049
73 HE2 TYR 13 HE1 TYR 13 -10.275 0.830 0.237
74 HH TYR 13 HH TYR 13 -10.752 3.267 -1.237
75 H LYS 14 H LYS 14 -3.279 -1.702 -2.963
76 HA LYS 14 HA LYS 14 -1.727 -2.806 -0.724
77 HB2 LYS 14 1HB LYS 14 -0.400 -3.834 -2.725
78 HB3 LYS 14 2HB LYS 14 -1.941 -4.534 -2.247
79 HG2 LYS 14 1HG LYS 14 -3.038 -3.730 -4.104
80 HG3 LYS 14 2HG LYS 14 -1.873 -2.428 -4.359
81 HD2 LYS 14 1HD LYS 14 -1.377 -5.371 -4.813
82 HD3 LYS 14 2HD LYS 14 -1.647 -4.158 -6.067
83 HE2 LYS 14 1HE LYS 14 0.373 -2.952 -4.957
84 HE3 LYS 14 2HE LYS 14 0.715 -4.539 -4.271
85 HZ1 LYS 14 3HZ LYS 14 0.456 -5.303 -6.720
86 HZ2 LYS 14 1HZ LYS 14 1.906 -4.592 -6.214
87 HZ3 LYS 14 2HZ LYS 14 0.775 -3.682 -7.082
88 H CYS 15 H CYS 15 0.201 -1.973 -0.175
89 HA CYS 15 HA CYS 15 1.037 0.489 -1.433
90 HB2 CYS 15 1HB CYS 15 1.064 0.242 1.023
91 HB3 CYS 15 2HB CYS 15 2.268 -1.034 0.874
92 H GLU 16 H GLU 16 2.663 0.755 -2.834
93 HA GLU 16 HA GLU 16 4.026 -1.596 -3.831
94 HB2 GLU 16 1HB GLU 16 3.067 0.256 -5.285
95 HB3 GLU 16 2HB GLU 16 4.412 1.251 -4.745
96 HG2 GLU 16 1HG GLU 16 5.916 -0.622 -5.598
97 HG3 GLU 16 2HG GLU 16 4.480 -1.233 -6.418
98 H LYS 17 H LYS 17 4.768 1.276 -1.974
99 HA LYS 17 HA LYS 17 7.502 1.411 -2.108
100 HB2 LYS 17 1HB LYS 17 5.801 1.739 0.371
101 HB3 LYS 17 2HB LYS 17 7.445 2.332 0.179
102 HG2 LYS 17 1HG LYS 17 5.375 3.185 -1.782
103 HG3 LYS 17 2HG LYS 17 5.388 3.912 -0.173
104 HD2 LYS 17 1HD LYS 17 7.560 4.779 -0.473
105 HD3 LYS 17 2HD LYS 17 7.857 3.761 -1.884
106 HE2 LYS 17 1HE LYS 17 5.919 5.028 -2.972
107 HE3 LYS 17 2HE LYS 17 6.093 6.182 -1.651
108 HZ1 LYS 17 3HZ LYS 17 8.626 5.916 -2.522
109 HZ2 LYS 17 1HZ LYS 17 7.569 7.149 -2.998
110 HZ3 LYS 17 2HZ LYS 17 7.758 5.776 -3.968
111 H CYS 18 H CYS 18 5.576 -0.683 0.023
112 HA CYS 18 HA CYS 18 8.021 -2.225 0.587
113 HB2 CYS 18 1HB CYS 18 6.665 -3.097 2.564
114 HB3 CYS 18 2HB CYS 18 7.185 -1.417 2.646
115 H GLY 19 H GLY 19 4.519 -2.585 0.045
116 HA2 GLY 19 1HA GLY 19 3.842 -4.154 -1.724
117 HA3 GLY 19 2HA GLY 19 5.097 -5.233 -1.133
118 H LYS 20 H LYS 20 2.861 -3.389 0.868
119 HA LYS 20 HA LYS 20 1.836 -5.932 1.922
120 HB2 LYS 20 1HB LYS 20 2.291 -3.234 3.088
121 HB3 LYS 20 2HB LYS 20 0.934 -4.162 3.711
122 HG2 LYS 20 1HG LYS 20 2.799 -4.590 5.112
123 HG3 LYS 20 2HG LYS 20 2.523 -6.041 4.146
124 HD2 LYS 20 1HD LYS 20 4.285 -5.204 2.565
125 HD3 LYS 20 2HD LYS 20 4.641 -3.935 3.738
126 HE2 LYS 20 1HE LYS 20 4.779 -6.901 4.273
127 HE3 LYS 20 2HE LYS 20 6.162 -5.860 3.940
128 HZ1 LYS 20 3HZ LYS 20 4.339 -5.210 6.158
129 HZ2 LYS 20 1HZ LYS 20 5.972 -4.810 5.963
130 HZ3 LYS 20 2HZ LYS 20 5.532 -6.392 6.370
131 H GLY 21 H GLY 21 -0.454 -6.021 2.536
132 HA2 GLY 21 1HA GLY 21 -2.096 -4.536 0.586
133 HA3 GLY 21 2HA GLY 21 -2.485 -6.129 1.219
134 H TYR 22 H TYR 22 -4.245 -3.904 1.200
135 HA TYR 22 HA TYR 22 -4.796 -3.751 4.059
136 HB2 TYR 22 1HB TYR 22 -4.183 -1.417 2.301
137 HB3 TYR 22 2HB TYR 22 -5.426 -1.229 3.534
138 HD1 TYR 22 HD1 TYR 22 -4.849 -1.350 5.911
139 HD2 TYR 22 HD2 TYR 22 -1.857 -1.648 2.900
140 HE1 TYR 22 HE1 TYR 22 -3.113 -0.932 7.602
141 HE2 TYR 22 HE2 TYR 22 -0.113 -1.231 4.583
142 HH TYR 22 HH TYR 22 -0.560 0.101 7.402
143 H ASN 23 H ASN 23 -6.988 -3.249 4.556
144 HA ASN 23 HA ASN 23 -8.816 -3.639 2.277
145 HB2 ASN 23 1HB ASN 23 -9.405 -4.395 5.140
146 HB3 ASN 23 2HB ASN 23 -10.284 -4.876 3.691
147 HD21 ASN 23 1HD2 ASN 23 -9.874 -6.822 2.950
148 HD22 ASN 23 2HD2 ASN 23 -8.445 -7.746 3.248
149 H SER 24 H SER 24 -7.889 -1.085 3.100
150 HA SER 24 HA SER 24 -10.393 0.247 3.432
151 HB2 SER 24 1HB SER 24 -8.394 0.407 5.700
152 HB3 SER 24 2HB SER 24 -9.813 1.439 5.530
153 HG SER 24 HG SER 24 -11.116 -0.260 5.926
154 H LYS 25 H LYS 25 -9.921 2.718 3.806
155 HA LYS 25 HA LYS 25 -7.820 3.419 1.887
156 HB2 LYS 25 1HB LYS 25 -10.102 5.115 2.914
157 HB3 LYS 25 2HB LYS 25 -9.011 5.520 1.595
158 HG2 LYS 25 1HG LYS 25 -10.795 4.774 0.402
159 HG3 LYS 25 2HG LYS 25 -9.924 3.252 0.604
160 HD2 LYS 25 1HD LYS 25 -11.337 2.649 2.471
161 HD3 LYS 25 2HD LYS 25 -12.148 4.215 2.403
162 HE2 LYS 25 1HE LYS 25 -13.257 3.692 0.427
163 HE3 LYS 25 2HE LYS 25 -12.124 2.406 0.018
164 HZ1 LYS 25 3HZ LYS 25 -14.260 2.360 2.068
165 HZ2 LYS 25 1HZ LYS 25 -13.022 1.208 2.022
166 HZ3 LYS 25 2HZ LYS 25 -14.089 1.355 0.718
167 H PHE 26 H PHE 26 -9.135 4.509 5.009
168 HA PHE 26 HA PHE 26 -7.253 6.468 5.580
169 HB2 PHE 26 1HB PHE 26 -9.426 5.711 6.850
170 HB3 PHE 26 2HB PHE 26 -8.301 4.722 7.775
171 HD1 PHE 26 HD2 PHE 26 -8.814 8.229 6.638
172 HD2 PHE 26 HD1 PHE 26 -7.251 5.624 9.618
173 HE1 PHE 26 HE2 PHE 26 -8.274 10.172 8.047
174 HE2 PHE 26 HE1 PHE 26 -6.709 7.562 11.033
175 HZ PHE 26 HZ PHE 26 -7.219 9.840 10.247
176 H ASN 27 H ASN 27 -7.193 3.017 6.434
177 HA ASN 27 HA ASN 27 -4.823 2.957 7.860
178 HB2 ASN 27 1HB ASN 27 -6.204 0.924 6.129
179 HB3 ASN 27 2HB ASN 27 -4.658 0.553 6.888
180 HD21 ASN 27 1HD2 ASN 27 -7.463 -0.446 7.272
181 HD22 ASN 27 2HD2 ASN 27 -7.737 -0.315 8.973
182 H LEU 28 H LEU 28 -5.247 2.368 4.369
183 HA LEU 28 HA LEU 28 -2.572 2.031 3.706
184 HB2 LEU 28 1HB LEU 28 -4.333 1.525 2.147
185 HB3 LEU 28 2HB LEU 28 -4.827 3.216 2.097
186 HG LEU 28 HG LEU 28 -2.526 3.689 1.106
187 HD11 LEU 28 1HD1 LEU 28 -2.590 0.750 0.477
188 HD12 LEU 28 2HD1 LEU 28 -1.626 1.435 1.785
189 HD13 LEU 28 3HD1 LEU 28 -1.316 1.915 0.116
190 HD21 LEU 28 3HD2 LEU 28 -4.958 2.771 -0.060
191 HD22 LEU 28 1HD2 LEU 28 -3.606 2.167 -1.017
192 HD23 LEU 28 2HD2 LEU 28 -3.771 3.897 -0.718
193 H ASP 29 H ASP 29 -4.487 5.010 3.864
194 HA ASP 29 HA ASP 29 -2.580 6.791 2.894
195 HB2 ASP 29 1HB ASP 29 -5.016 7.267 3.417
196 HB3 ASP 29 2HB ASP 29 -4.537 7.421 5.105
197 H MET 30 H MET 30 -3.384 6.367 6.345
198 HA MET 30 HA MET 30 -1.266 7.726 7.430
199 HB2 MET 30 1HB MET 30 -2.895 5.406 8.383
200 HB3 MET 30 2HB MET 30 -1.507 5.921 9.332
201 HG2 MET 30 1HG MET 30 -3.585 7.891 8.476
202 HG3 MET 30 2HG MET 30 -3.835 6.867 9.888
203 HE1 MET 30 3HE MET 30 -3.896 8.045 11.770
204 HE2 MET 30 1HE MET 30 -2.379 7.342 12.332
205 HE3 MET 30 2HE MET 30 -2.657 9.077 12.488
206 H HIS 31 H HIS 31 -1.348 4.344 6.389
207 HA HIS 31 HA HIS 31 1.111 3.488 7.314
208 HB2 HIS 31 1HB HIS 31 -0.345 1.884 6.336
209 HB3 HIS 31 2HB HIS 31 -0.418 2.769 4.815
210 HD1 HIS 31 HD1 HIS 31 1.841 0.520 6.807
211 HD2 HIS 31 HD2 HIS 31 1.620 2.218 3.021
212 HE1 HIS 31 HE1 HIS 31 3.631 -0.616 5.454
213 H GLN 32 H GLN 32 0.367 5.157 4.270
214 HA GLN 32 HA GLN 32 2.751 5.120 2.975
215 HB2 GLN 32 1HB GLN 32 0.888 7.476 3.306
216 HB3 GLN 32 2HB GLN 32 2.191 7.407 2.126
217 HG2 GLN 32 1HG GLN 32 1.081 5.299 1.250
218 HG3 GLN 32 2HG GLN 32 -0.306 5.751 2.240
219 HE21 GLN 32 1HE2 GLN 32 -1.183 5.657 -0.056
220 HE22 GLN 32 2HE2 GLN 32 -1.190 7.148 -0.929
221 H LYS 33 H LYS 33 1.857 7.463 5.503
222 HA LYS 33 HA LYS 33 4.067 9.029 5.633
223 HB2 LYS 33 1HB LYS 33 2.279 7.935 7.772
224 HB3 LYS 33 2HB LYS 33 3.679 8.899 8.225
225 HG2 LYS 33 1HG LYS 33 2.699 10.569 6.450
226 HG3 LYS 33 2HG LYS 33 1.199 9.705 6.797
227 HD2 LYS 33 1HD LYS 33 2.860 10.638 9.085
228 HD3 LYS 33 2HD LYS 33 1.919 11.832 8.188
229 HE2 LYS 33 1HE LYS 33 -0.103 10.467 8.560
230 HE3 LYS 33 2HE LYS 33 0.857 9.339 9.515
231 HZ1 LYS 33 3HZ LYS 33 -0.440 11.575 10.435
232 HZ2 LYS 33 1HZ LYS 33 1.193 12.015 10.421
233 HZ3 LYS 33 2HZ LYS 33 0.693 10.648 11.282
234 H VAL 34 H VAL 34 3.759 5.746 6.889
235 HA VAL 34 HA VAL 34 5.980 5.418 8.409
236 HB VAL 34 HB VAL 34 5.014 3.489 6.293
237 HG11 VAL 34 1HG1 VAL 34 6.413 1.907 7.088
238 HG12 VAL 34 2HG1 VAL 34 7.371 3.302 7.588
239 HG13 VAL 34 3HG1 VAL 34 6.311 2.497 8.746
240 HG21 VAL 34 3HG2 VAL 34 4.390 3.366 9.223
241 HG22 VAL 34 1HG2 VAL 34 3.410 4.335 8.122
242 HG23 VAL 34 2HG2 VAL 34 3.554 2.595 7.875
243 H HIS 35 H HIS 35 5.880 5.421 4.865
244 HA HIS 35 HA HIS 35 8.766 5.139 4.705
245 HB2 HIS 35 1HB HIS 35 6.892 5.665 2.403
246 HB3 HIS 35 2HB HIS 35 8.481 4.905 2.362
247 HD1 HIS 35 HD1 HIS 35 8.595 2.464 3.505
248 HD2 HIS 35 HD2 HIS 35 4.803 3.931 2.649
249 HE1 HIS 35 HE1 HIS 35 7.071 0.465 3.568
250 H THR 36 H THR 36 9.742 6.664 2.878
251 HA THR 36 HA THR 36 10.727 8.757 2.795
252 HB THR 36 HB THR 36 8.952 8.724 1.040
253 HG1 THR 36 HG1 THR 36 9.867 11.059 2.301
254 HG21 THR 36 3HG2 THR 36 6.864 8.726 1.936
255 HG22 THR 36 1HG2 THR 36 7.051 10.471 1.768
256 HG23 THR 36 2HG2 THR 36 7.343 9.699 3.327
257 H GLY 37 H GLY 37 10.125 8.152 5.477
258 HA2 GLY 37 1HA GLY 37 9.816 10.864 6.505
259 HA3 GLY 37 2HA GLY 37 8.657 9.674 7.080
260 H GLU 38 H GLU 38 12.150 9.441 6.444
261 HA GLU 38 HA GLU 38 12.525 8.767 9.286
262 HB2 GLU 38 1HB GLU 38 12.649 6.855 7.483
263 HB3 GLU 38 2HB GLU 38 14.246 7.523 7.179
264 HG2 GLU 38 1HG GLU 38 13.200 6.344 9.734
265 HG3 GLU 38 2HG GLU 38 14.504 5.741 8.714
266 H ARG 39 H ARG 39 13.175 10.931 9.662
267 HA ARG 39 HA ARG 39 15.262 12.196 8.222
268 HB2 ARG 39 1HB ARG 39 15.152 13.909 9.840
269 HB3 ARG 39 2HB ARG 39 13.509 13.295 9.711
270 HG2 ARG 39 1HG ARG 39 15.435 12.389 11.833
271 HG3 ARG 39 2HG ARG 39 14.333 13.752 12.039
272 HD2 ARG 39 1HD ARG 39 12.490 12.098 11.353
273 HD3 ARG 39 2HD ARG 39 13.687 10.845 11.677
274 HE ARG 39 HE ARG 39 13.555 12.572 13.885
275 HH11 ARG 39 1HH1 ARG 39 11.642 10.167 12.248
276 HH12 ARG 39 2HH1 ARG 39 10.788 9.686 13.677
277 HH21 ARG 39 1HH2 ARG 39 12.438 11.947 15.773
278 HH22 ARG 39 2HH2 ARG 39 11.241 10.700 15.681
279 HA PRO 40 HA PRO 40 18.831 10.237 9.892
280 HB2 PRO 40 1HB PRO 40 20.648 12.208 9.465
281 HB3 PRO 40 2HB PRO 40 19.990 11.210 8.163
282 HG2 PRO 40 1HG PRO 40 19.204 13.970 9.017
283 HG3 PRO 40 2HG PRO 40 19.422 13.325 7.379
284 HD2 PRO 40 1HD PRO 40 16.982 13.625 8.514
285 HD3 PRO 40 2HD PRO 40 17.346 12.324 7.361
286 H SER 41 H SER 41 17.271 12.803 11.335
287 HA SER 41 HA SER 41 17.238 13.519 13.506
288 HB2 SER 41 1HB SER 41 18.169 11.110 13.902
289 HB3 SER 41 2HB SER 41 19.706 11.938 14.154
290 HG SER 41 HG SER 41 18.546 11.676 16.107
291 H GLY 42 H GLY 42 18.509 14.982 11.492
292 HA2 GLY 42 1HA GLY 42 20.207 16.526 11.089
293 HA3 GLY 42 2HA GLY 42 19.658 17.082 12.664
294 HA PRO 43 HA PRO 43 23.753 16.456 14.133
295 HB2 PRO 43 1HB PRO 43 23.238 16.333 16.795
296 HB3 PRO 43 2HB PRO 43 23.179 17.841 15.874
297 HG2 PRO 43 1HG PRO 43 20.934 16.054 16.727
298 HG3 PRO 43 2HG PRO 43 21.030 17.824 16.762
299 HD2 PRO 43 1HD PRO 43 19.713 16.474 14.819
300 HD3 PRO 43 2HD PRO 43 20.532 18.020 14.520
301 H SER 44 H SER 44 25.119 14.845 14.889
302 HA SER 44 HA SER 44 24.539 12.224 14.430
303 HB2 SER 44 1HB SER 44 26.822 13.088 14.808
304 HB3 SER 44 2HB SER 44 26.470 13.244 16.529
305 HG SER 44 HG SER 44 25.870 10.836 16.152
306 H SER 45 H SER 45 23.292 10.739 15.341
307 HA SER 45 HA SER 45 22.923 10.625 18.204
308 HB2 SER 45 1HB SER 45 20.588 10.976 18.281
309 HB3 SER 45 2HB SER 45 21.199 12.285 17.270
310 HG SER 45 HG SER 45 20.735 10.560 15.521
311 H GLY 46 H GLY 46 22.311 8.608 18.920
312 HA2 GLY 46 1HA GLY 46 21.306 6.621 17.075
313 HA3 GLY 46 2HA GLY 46 22.969 6.357 17.578
Start of MODEL 8
1 H1 GLY 1 H GLY 1 4.709 -27.700 3.148
2 HA2 GLY 1 1HA GLY 1 3.186 -29.436 3.645
3 HA3 GLY 1 2HA GLY 1 3.322 -29.036 5.350
4 H SER 2 H SER 2 1.324 -28.566 6.012
5 HA SER 2 HA SER 2 -0.384 -26.903 4.304
6 HB2 SER 2 1HB SER 2 -1.200 -29.123 5.268
7 HB3 SER 2 2HB SER 2 -1.222 -28.316 6.836
8 HG SER 2 HG SER 2 -2.492 -27.043 4.704
9 H SER 3 H SER 3 0.494 -27.193 7.749
10 HA SER 3 HA SER 3 -0.517 -24.646 8.461
11 HB2 SER 3 1HB SER 3 1.353 -26.590 9.799
12 HB3 SER 3 2HB SER 3 1.014 -25.013 10.513
13 HG SER 3 HG SER 3 -0.701 -25.935 11.285
14 H GLY 4 H GLY 4 0.252 -22.785 7.713
15 HA2 GLY 4 1HA GLY 4 2.397 -21.410 8.225
16 HA3 GLY 4 2HA GLY 4 3.119 -22.563 7.114
17 H SER 5 H SER 5 0.258 -20.437 7.260
18 HA SER 5 HA SER 5 1.009 -18.913 5.010
19 HB2 SER 5 1HB SER 5 -0.459 -19.735 3.307
20 HB3 SER 5 2HB SER 5 0.455 -21.120 3.903
21 HG SER 5 HG SER 5 -1.853 -21.465 3.677
22 H SER 6 H SER 6 -0.326 -17.153 4.710
23 HA SER 6 HA SER 6 -2.931 -17.054 5.965
24 HB2 SER 6 1HB SER 6 -0.674 -15.286 6.938
25 HB3 SER 6 2HB SER 6 -2.371 -15.086 7.370
26 HG SER 6 HG SER 6 -0.739 -16.453 8.718
27 H GLY 7 H GLY 7 -3.931 -14.829 5.659
28 HA2 GLY 7 1HA GLY 7 -3.758 -12.719 4.398
29 HA3 GLY 7 2HA GLY 7 -2.935 -13.636 3.145
30 H THR 8 H THR 8 -6.029 -13.341 4.847
31 HA THR 8 HA THR 8 -7.362 -14.228 2.371
32 HB THR 8 HB THR 8 -8.407 -14.649 5.176
33 HG1 THR 8 HG1 THR 8 -7.944 -16.933 4.512
34 HG21 THR 8 3HG2 THR 8 -10.188 -14.484 3.558
35 HG22 THR 8 1HG2 THR 8 -9.994 -16.176 4.016
36 HG23 THR 8 2HG2 THR 8 -9.360 -15.601 2.474
37 H GLY 9 H GLY 9 -8.161 -12.444 1.446
38 HA2 GLY 9 1HA GLY 9 -10.347 -11.067 2.220
39 HA3 GLY 9 2HA GLY 9 -9.056 -10.197 3.038
40 H GLU 10 H GLU 10 -10.785 -9.107 1.060
41 HA GLU 10 HA GLU 10 -9.357 -8.996 -1.435
42 HB2 GLU 10 1HB GLU 10 -11.045 -7.175 -1.950
43 HB3 GLU 10 2HB GLU 10 -11.707 -8.766 -1.605
44 HG2 GLU 10 1HG GLU 10 -12.361 -8.104 0.587
45 HG3 GLU 10 2HG GLU 10 -11.494 -6.576 0.442
46 H LYS 11 H LYS 11 -7.574 -7.851 -1.720
47 HA LYS 11 HA LYS 11 -7.153 -5.443 -0.082
48 HB2 LYS 11 1HB LYS 11 -5.066 -7.001 -1.610
49 HB3 LYS 11 2HB LYS 11 -4.791 -5.740 -0.415
50 HG2 LYS 11 1HG LYS 11 -6.287 -8.177 0.404
51 HG3 LYS 11 2HG LYS 11 -4.537 -8.278 0.196
52 HD2 LYS 11 1HD LYS 11 -4.618 -7.669 2.395
53 HD3 LYS 11 2HD LYS 11 -4.607 -6.067 1.654
54 HE2 LYS 11 1HE LYS 11 -6.995 -5.895 1.869
55 HE3 LYS 11 2HE LYS 11 -7.107 -7.562 2.431
56 HZ1 LYS 11 3HZ LYS 11 -5.347 -6.387 4.153
57 HZ2 LYS 11 1HZ LYS 11 -6.976 -6.715 4.466
58 HZ3 LYS 11 2HZ LYS 11 -6.515 -5.188 3.906
59 HA PRO 12 HA PRO 12 -7.981 -3.841 -4.339
60 HB2 PRO 12 1HB PRO 12 -9.413 -1.696 -3.490
61 HB3 PRO 12 2HB PRO 12 -10.134 -3.288 -3.756
62 HG2 PRO 12 1HG PRO 12 -9.253 -2.012 -1.196
63 HG3 PRO 12 2HG PRO 12 -10.724 -2.942 -1.534
64 HD2 PRO 12 1HD PRO 12 -8.574 -4.018 -0.287
65 HD3 PRO 12 2HD PRO 12 -9.638 -4.966 -1.346
66 H TYR 13 H TYR 13 -6.542 -2.621 -1.455
67 HA TYR 13 HA TYR 13 -5.143 -0.560 -3.030
68 HB2 TYR 13 1HB TYR 13 -5.726 -0.411 -0.069
69 HB3 TYR 13 2HB TYR 13 -5.030 0.850 -1.082
70 HD1 TYR 13 HD2 TYR 13 -6.679 1.177 -3.322
71 HD2 TYR 13 HD1 TYR 13 -7.860 0.097 0.620
72 HE1 TYR 13 HE2 TYR 13 -8.927 2.074 -3.756
73 HE2 TYR 13 HE1 TYR 13 -10.112 0.990 0.196
74 HH TYR 13 HH TYR 13 -11.149 1.934 -2.965
75 H LYS 14 H LYS 14 -3.093 -1.085 -3.334
76 HA LYS 14 HA LYS 14 -1.722 -2.700 -1.290
77 HB2 LYS 14 1HB LYS 14 -1.104 -2.383 -4.233
78 HB3 LYS 14 2HB LYS 14 -0.163 -3.347 -3.102
79 HG2 LYS 14 1HG LYS 14 -2.122 -4.771 -2.706
80 HG3 LYS 14 2HG LYS 14 -3.035 -3.818 -3.879
81 HD2 LYS 14 1HD LYS 14 -0.431 -4.971 -4.734
82 HD3 LYS 14 2HD LYS 14 -1.804 -6.066 -4.555
83 HE2 LYS 14 1HE LYS 14 -2.100 -5.453 -6.731
84 HE3 LYS 14 2HE LYS 14 -3.023 -4.171 -5.946
85 HZ1 LYS 14 3HZ LYS 14 -0.434 -4.037 -7.299
86 HZ2 LYS 14 1HZ LYS 14 -0.681 -3.009 -5.978
87 HZ3 LYS 14 2HZ LYS 14 -1.718 -2.936 -7.312
88 H CYS 15 H CYS 15 0.703 -2.306 -1.227
89 HA CYS 15 HA CYS 15 1.191 0.599 -1.285
90 HB2 CYS 15 1HB CYS 15 1.171 -0.427 0.977
91 HB3 CYS 15 2HB CYS 15 2.497 -1.475 0.488
92 H GLU 16 H GLU 16 2.449 1.174 -2.923
93 HA GLU 16 HA GLU 16 4.314 -0.724 -4.091
94 HB2 GLU 16 1HB GLU 16 2.816 0.785 -5.460
95 HB3 GLU 16 2HB GLU 16 3.816 2.131 -4.933
96 HG2 GLU 16 1HG GLU 16 5.722 1.263 -6.047
97 HG3 GLU 16 2HG GLU 16 4.911 -0.268 -6.372
98 H LYS 17 H LYS 17 4.993 0.017 -1.486
99 HA LYS 17 HA LYS 17 7.483 1.508 -1.975
100 HB2 LYS 17 1HB LYS 17 5.598 1.754 0.367
101 HB3 LYS 17 2HB LYS 17 7.262 2.320 0.424
102 HG2 LYS 17 1HG LYS 17 5.549 3.251 -1.814
103 HG3 LYS 17 2HG LYS 17 5.265 3.921 -0.206
104 HD2 LYS 17 1HD LYS 17 6.827 5.405 -0.958
105 HD3 LYS 17 2HD LYS 17 7.901 4.191 -0.259
106 HE2 LYS 17 1HE LYS 17 8.369 3.254 -2.385
107 HE3 LYS 17 2HE LYS 17 7.064 4.161 -3.149
108 HZ1 LYS 17 3HZ LYS 17 8.354 5.952 -3.386
109 HZ2 LYS 17 1HZ LYS 17 9.655 4.902 -3.124
110 HZ3 LYS 17 2HZ LYS 17 9.030 5.812 -1.842
111 H CYS 18 H CYS 18 5.801 -0.818 0.106
112 HA CYS 18 HA CYS 18 8.409 -2.075 0.659
113 HB2 CYS 18 1HB CYS 18 7.500 -2.826 2.812
114 HB3 CYS 18 2HB CYS 18 7.463 -1.070 2.685
115 H GLY 19 H GLY 19 4.920 -2.680 0.324
116 HA2 GLY 19 1HA GLY 19 4.365 -4.424 -1.370
117 HA3 GLY 19 2HA GLY 19 5.596 -5.408 -0.592
118 H LYS 20 H LYS 20 3.075 -3.385 0.868
119 HA LYS 20 HA LYS 20 2.090 -5.787 2.254
120 HB2 LYS 20 1HB LYS 20 3.025 -3.623 3.460
121 HB3 LYS 20 2HB LYS 20 1.394 -3.032 3.170
122 HG2 LYS 20 1HG LYS 20 1.369 -3.951 5.329
123 HG3 LYS 20 2HG LYS 20 0.570 -5.140 4.297
124 HD2 LYS 20 1HD LYS 20 2.805 -6.304 4.118
125 HD3 LYS 20 2HD LYS 20 3.375 -5.225 5.394
126 HE2 LYS 20 1HE LYS 20 1.361 -6.046 6.737
127 HE3 LYS 20 2HE LYS 20 1.232 -7.326 5.532
128 HZ1 LYS 20 3HZ LYS 20 3.463 -8.034 6.070
129 HZ2 LYS 20 1HZ LYS 20 2.518 -8.012 7.474
130 HZ3 LYS 20 2HZ LYS 20 3.636 -6.775 7.187
131 H GLY 21 H GLY 21 -0.245 -5.844 2.730
132 HA2 GLY 21 1HA GLY 21 -1.810 -4.521 0.599
133 HA3 GLY 21 2HA GLY 21 -2.073 -6.196 1.062
134 H TYR 22 H TYR 22 -3.683 -3.563 1.149
135 HA TYR 22 HA TYR 22 -4.670 -3.958 3.895
136 HB2 TYR 22 1HB TYR 22 -4.342 -1.349 2.405
137 HB3 TYR 22 2HB TYR 22 -5.272 -1.515 3.890
138 HD1 TYR 22 HD2 TYR 22 -1.888 -1.660 2.437
139 HD2 TYR 22 HD1 TYR 22 -4.188 -1.689 6.016
140 HE1 TYR 22 HE2 TYR 22 0.163 -1.321 3.751
141 HE2 TYR 22 HE1 TYR 22 -2.144 -1.348 7.340
142 HH TYR 22 HH TYR 22 0.050 -1.027 7.290
143 H ASN 23 H ASN 23 -6.944 -2.881 4.084
144 HA ASN 23 HA ASN 23 -8.503 -3.684 1.716
145 HB2 ASN 23 1HB ASN 23 -10.190 -4.553 3.101
146 HB3 ASN 23 2HB ASN 23 -8.697 -5.072 3.878
147 HD21 ASN 23 1HD2 ASN 23 -11.622 -3.463 4.262
148 HD22 ASN 23 2HD2 ASN 23 -11.342 -2.801 5.833
149 H SER 24 H SER 24 -8.419 -1.480 4.495
150 HA SER 24 HA SER 24 -10.499 0.186 3.365
151 HB2 SER 24 1HB SER 24 -8.798 0.464 5.851
152 HB3 SER 24 2HB SER 24 -10.044 1.621 5.381
153 HG SER 24 HG SER 24 -10.314 -1.041 6.240
154 H LYS 25 H LYS 25 -10.068 2.621 3.338
155 HA LYS 25 HA LYS 25 -7.758 3.067 1.631
156 HB2 LYS 25 1HB LYS 25 -10.169 4.739 2.328
157 HB3 LYS 25 2HB LYS 25 -8.831 5.366 1.373
158 HG2 LYS 25 1HG LYS 25 -9.222 3.413 -0.195
159 HG3 LYS 25 2HG LYS 25 -10.735 3.153 0.676
160 HD2 LYS 25 1HD LYS 25 -10.120 5.887 -0.337
161 HD3 LYS 25 2HD LYS 25 -10.644 4.656 -1.488
162 HE2 LYS 25 1HE LYS 25 -12.134 5.354 1.037
163 HE3 LYS 25 2HE LYS 25 -12.489 6.053 -0.542
164 HZ1 LYS 25 3HZ LYS 25 -13.790 3.984 0.283
165 HZ2 LYS 25 1HZ LYS 25 -12.427 3.130 -0.241
166 HZ3 LYS 25 2HZ LYS 25 -13.303 4.076 -1.335
167 H PHE 26 H PHE 26 -9.221 4.817 4.378
168 HA PHE 26 HA PHE 26 -7.194 6.563 4.939
169 HB2 PHE 26 1HB PHE 26 -9.495 6.226 6.096
170 HB3 PHE 26 2HB PHE 26 -8.613 5.160 7.185
171 HD1 PHE 26 HD1 PHE 26 -6.225 6.334 7.898
172 HD2 PHE 26 HD2 PHE 26 -9.869 8.313 6.941
173 HE1 PHE 26 HE1 PHE 26 -5.514 8.278 9.228
174 HE2 PHE 26 HE2 PHE 26 -9.164 10.261 8.268
175 HZ PHE 26 HZ PHE 26 -6.983 10.245 9.414
176 H ASN 27 H ASN 27 -7.534 3.277 6.268
177 HA ASN 27 HA ASN 27 -5.356 3.128 7.896
178 HB2 ASN 27 1HB ASN 27 -7.123 1.318 7.167
179 HB3 ASN 27 2HB ASN 27 -5.859 0.835 6.039
180 HD21 ASN 27 1HD2 ASN 27 -3.613 0.780 7.188
181 HD22 ASN 27 2HD2 ASN 27 -3.590 -0.109 8.669
182 H LEU 28 H LEU 28 -5.277 2.117 4.473
183 HA LEU 28 HA LEU 28 -2.627 1.646 4.143
184 HB2 LEU 28 1HB LEU 28 -4.231 1.339 2.362
185 HB3 LEU 28 2HB LEU 28 -4.470 3.081 2.238
186 HG LEU 28 HG LEU 28 -2.003 3.199 1.585
187 HD11 LEU 28 1HD1 LEU 28 -1.904 0.619 2.326
188 HD12 LEU 28 2HD1 LEU 28 -0.803 1.340 1.154
189 HD13 LEU 28 3HD1 LEU 28 -2.207 0.428 0.599
190 HD21 LEU 28 3HD2 LEU 28 -2.827 1.953 -0.725
191 HD22 LEU 28 1HD2 LEU 28 -3.121 3.638 -0.296
192 HD23 LEU 28 2HD2 LEU 28 -4.346 2.415 0.044
193 H ASP 29 H ASP 29 -4.151 4.839 3.699
194 HA ASP 29 HA ASP 29 -1.925 6.344 3.140
195 HB2 ASP 29 1HB ASP 29 -4.473 6.968 4.594
196 HB3 ASP 29 2HB ASP 29 -3.211 8.191 4.471
197 H MET 30 H MET 30 -3.245 5.665 6.380
198 HA MET 30 HA MET 30 -1.368 7.018 7.894
199 HB2 MET 30 1HB MET 30 -3.022 4.570 8.414
200 HB3 MET 30 2HB MET 30 -1.862 5.123 9.614
201 HG2 MET 30 1HG MET 30 -3.055 7.411 9.324
202 HG3 MET 30 2HG MET 30 -4.358 6.436 8.649
203 HE1 MET 30 3HE MET 30 -5.252 4.442 9.665
204 HE2 MET 30 1HE MET 30 -5.476 4.160 11.392
205 HE3 MET 30 2HE MET 30 -6.351 5.466 10.591
206 H HIS 31 H HIS 31 -1.033 4.072 6.115
207 HA HIS 31 HA HIS 31 1.414 3.301 7.475
208 HB2 HIS 31 1HB HIS 31 0.115 1.444 6.833
209 HB3 HIS 31 2HB HIS 31 -0.199 2.108 5.232
210 HD1 HIS 31 HD1 HIS 31 2.870 0.978 7.192
211 HD2 HIS 31 HD2 HIS 31 1.305 0.911 3.343
212 HE1 HIS 31 HE1 HIS 31 4.534 -0.306 5.811
213 H GLN 32 H GLN 32 0.398 4.728 4.425
214 HA GLN 32 HA GLN 32 2.788 4.593 3.012
215 HB2 GLN 32 1HB GLN 32 0.488 6.518 2.976
216 HB3 GLN 32 2HB GLN 32 1.903 6.813 1.974
217 HG2 GLN 32 1HG GLN 32 0.192 4.337 1.897
218 HG3 GLN 32 2HG GLN 32 0.118 5.675 0.752
219 HE21 GLN 32 1HE2 GLN 32 0.791 2.784 0.460
220 HE22 GLN 32 2HE2 GLN 32 2.319 2.764 -0.345
221 H LYS 33 H LYS 33 1.658 7.059 5.295
222 HA LYS 33 HA LYS 33 3.704 8.903 5.048
223 HB2 LYS 33 1HB LYS 33 3.056 9.750 7.159
224 HB3 LYS 33 2HB LYS 33 1.593 9.077 6.452
225 HG2 LYS 33 1HG LYS 33 1.414 8.225 8.545
226 HG3 LYS 33 2HG LYS 33 2.362 6.935 7.801
227 HD2 LYS 33 1HD LYS 33 3.606 7.292 9.685
228 HD3 LYS 33 2HD LYS 33 4.381 8.445 8.596
229 HE2 LYS 33 1HE LYS 33 2.671 10.134 9.509
230 HE3 LYS 33 2HE LYS 33 2.413 8.964 10.801
231 HZ1 LYS 33 3HZ LYS 33 4.251 10.876 10.905
232 HZ2 LYS 33 1HZ LYS 33 5.180 9.634 10.228
233 HZ3 LYS 33 2HZ LYS 33 4.408 9.399 11.714
234 H VAL 34 H VAL 34 3.643 5.865 6.817
235 HA VAL 34 HA VAL 34 5.865 6.090 8.423
236 HB VAL 34 HB VAL 34 5.097 3.631 6.844
237 HG11 VAL 34 1HG1 VAL 34 6.565 3.865 9.468
238 HG12 VAL 34 2HG1 VAL 34 6.205 2.381 8.584
239 HG13 VAL 34 3HG1 VAL 34 7.331 3.559 7.910
240 HG21 VAL 34 3HG2 VAL 34 4.129 4.628 9.521
241 HG22 VAL 34 1HG2 VAL 34 3.177 4.453 8.047
242 HG23 VAL 34 2HG2 VAL 34 3.802 3.023 8.868
243 H HIS 35 H HIS 35 5.734 5.352 4.969
244 HA HIS 35 HA HIS 35 8.566 4.940 4.744
245 HB2 HIS 35 1HB HIS 35 6.565 5.465 2.539
246 HB3 HIS 35 2HB HIS 35 8.167 4.754 2.362
247 HD1 HIS 35 HD1 HIS 35 8.282 2.508 4.227
248 HD2 HIS 35 HD2 HIS 35 4.744 3.500 2.288
249 HE1 HIS 35 HE1 HIS 35 6.880 0.420 4.275
250 H THR 36 H THR 36 8.394 7.265 6.023
251 HA THR 36 HA THR 36 8.786 9.364 3.999
252 HB THR 36 HB THR 36 7.108 9.923 5.683
253 HG1 THR 36 HG1 THR 36 9.323 11.495 6.415
254 HG21 THR 36 3HG2 THR 36 8.194 10.407 8.045
255 HG22 THR 36 1HG2 THR 36 9.283 9.112 7.549
256 HG23 THR 36 2HG2 THR 36 7.547 8.817 7.643
257 H GLY 37 H GLY 37 10.783 7.350 4.567
258 HA2 GLY 37 1HA GLY 37 13.145 8.335 4.341
259 HA3 GLY 37 2HA GLY 37 12.841 8.927 5.968
260 H GLU 38 H GLU 38 13.808 7.749 7.466
261 HA GLU 38 HA GLU 38 15.130 5.387 7.152
262 HB2 GLU 38 1HB GLU 38 15.053 6.958 9.185
263 HB3 GLU 38 2HB GLU 38 13.672 6.005 9.712
264 HG2 GLU 38 1HG GLU 38 15.381 4.972 10.825
265 HG3 GLU 38 2HG GLU 38 15.282 3.989 9.366
266 H ARG 39 H ARG 39 14.574 3.359 6.734
267 HA ARG 39 HA ARG 39 11.985 2.350 7.653
268 HB2 ARG 39 1HB ARG 39 11.546 3.043 5.381
269 HB3 ARG 39 2HB ARG 39 12.985 2.211 4.806
270 HG2 ARG 39 1HG ARG 39 11.855 0.086 5.729
271 HG3 ARG 39 2HG ARG 39 10.383 1.059 5.723
272 HD2 ARG 39 1HD ARG 39 10.497 -0.153 3.659
273 HD3 ARG 39 2HD ARG 39 10.791 1.553 3.321
274 HE ARG 39 HE ARG 39 12.959 1.042 2.718
275 HH11 ARG 39 1HH1 ARG 39 11.423 -1.734 4.151
276 HH12 ARG 39 2HH1 ARG 39 12.674 -2.835 3.675
277 HH21 ARG 39 1HH2 ARG 39 14.612 -0.397 2.085
278 HH22 ARG 39 2HH2 ARG 39 14.488 -2.073 2.501
279 HA PRO 40 HA PRO 40 14.415 -1.140 8.799
280 HB2 PRO 40 1HB PRO 40 12.423 -2.967 9.056
281 HB3 PRO 40 2HB PRO 40 12.696 -1.673 10.228
282 HG2 PRO 40 1HG PRO 40 10.709 -1.817 7.995
283 HG3 PRO 40 2HG PRO 40 10.484 -1.242 9.657
284 HD2 PRO 40 1HD PRO 40 10.840 0.443 7.568
285 HD3 PRO 40 2HD PRO 40 11.418 0.816 9.205
286 H SER 41 H SER 41 15.374 -2.910 7.879
287 HA SER 41 HA SER 41 15.630 -3.261 5.235
288 HB2 SER 41 1HB SER 41 15.739 -5.284 7.455
289 HB3 SER 41 2HB SER 41 16.021 -5.777 5.785
290 HG SER 41 HG SER 41 17.579 -4.211 7.469
291 H GLY 42 H GLY 42 13.212 -4.985 7.203
292 HA2 GLY 42 1HA GLY 42 11.160 -4.842 5.321
293 HA3 GLY 42 2HA GLY 42 12.016 -6.350 5.033
294 HA PRO 43 HA PRO 43 8.944 -6.490 8.732
295 HB2 PRO 43 1HB PRO 43 6.673 -7.289 7.478
296 HB3 PRO 43 2HB PRO 43 7.062 -5.590 7.768
297 HG2 PRO 43 1HG PRO 43 7.404 -7.213 5.276
298 HG3 PRO 43 2HG PRO 43 6.798 -5.556 5.458
299 HD2 PRO 43 1HD PRO 43 9.330 -6.102 4.670
300 HD3 PRO 43 2HD PRO 43 8.916 -4.665 5.627
301 H SER 44 H SER 44 10.164 -8.389 6.250
302 HA SER 44 HA SER 44 9.334 -10.860 7.628
303 HB2 SER 44 1HB SER 44 9.641 -10.249 4.710
304 HB3 SER 44 2HB SER 44 9.920 -11.893 5.283
305 HG SER 44 HG SER 44 7.849 -12.133 5.515
306 H SER 45 H SER 45 10.884 -12.487 7.899
307 HA SER 45 HA SER 45 13.604 -11.494 8.063
308 HB2 SER 45 1HB SER 45 12.130 -13.859 9.147
309 HB3 SER 45 2HB SER 45 13.887 -13.943 9.025
310 HG SER 45 HG SER 45 13.576 -11.680 10.099
311 H GLY 46 H GLY 46 15.222 -11.988 6.717
312 HA2 GLY 46 1HA GLY 46 15.079 -14.377 5.056
313 HA3 GLY 46 2HA GLY 46 15.061 -12.842 4.200
Start of MODEL 9
1 H1 GLY 1 H GLY 1 7.766 -18.456 13.964
2 HA2 GLY 1 1HA GLY 1 7.317 -17.469 11.216
3 HA3 GLY 1 2HA GLY 1 6.278 -18.633 12.024
4 H SER 2 H SER 2 5.573 -16.078 10.809
5 HA SER 2 HA SER 2 4.330 -14.847 13.170
6 HB2 SER 2 1HB SER 2 4.695 -12.617 12.264
7 HB3 SER 2 2HB SER 2 6.243 -13.446 12.425
8 HG SER 2 HG SER 2 4.917 -13.704 9.993
9 H SER 3 H SER 3 2.379 -13.612 12.672
10 HA SER 3 HA SER 3 0.983 -14.734 10.334
11 HB2 SER 3 1HB SER 3 0.024 -15.437 12.478
12 HB3 SER 3 2HB SER 3 -0.161 -13.751 12.961
13 HG SER 3 HG SER 3 -2.088 -14.740 12.081
14 H GLY 4 H GLY 4 -0.792 -13.336 9.462
15 HA2 GLY 4 1HA GLY 4 -1.474 -10.837 9.657
16 HA3 GLY 4 2HA GLY 4 0.214 -10.585 9.239
17 H SER 5 H SER 5 -2.320 -12.791 8.046
18 HA SER 5 HA SER 5 -2.033 -11.590 5.387
19 HB2 SER 5 1HB SER 5 -2.013 -13.881 4.377
20 HB3 SER 5 2HB SER 5 -0.565 -13.508 5.311
21 HG SER 5 HG SER 5 -2.755 -15.142 6.049
22 H SER 6 H SER 6 -3.860 -11.695 4.094
23 HA SER 6 HA SER 6 -6.343 -11.860 5.459
24 HB2 SER 6 1HB SER 6 -5.671 -10.454 3.363
25 HB3 SER 6 2HB SER 6 -6.133 -11.899 2.463
26 HG SER 6 HG SER 6 -7.730 -10.039 3.286
27 H GLY 7 H GLY 7 -4.870 -13.879 2.920
28 HA2 GLY 7 1HA GLY 7 -5.013 -16.225 2.802
29 HA3 GLY 7 2HA GLY 7 -6.328 -16.181 3.967
30 H THR 8 H THR 8 -8.168 -14.569 2.882
31 HA THR 8 HA THR 8 -8.837 -15.930 0.356
32 HB THR 8 HB THR 8 -11.208 -15.454 0.909
33 HG1 THR 8 HG1 THR 8 -10.432 -13.692 2.472
34 HG21 THR 8 3HG2 THR 8 -11.302 -17.455 1.895
35 HG22 THR 8 1HG2 THR 8 -10.514 -16.846 3.349
36 HG23 THR 8 2HG2 THR 8 -9.542 -17.409 1.989
37 H GLY 9 H GLY 9 -9.300 -14.758 -1.426
38 HA2 GLY 9 1HA GLY 9 -9.424 -12.939 -2.820
39 HA3 GLY 9 2HA GLY 9 -10.318 -12.167 -1.519
40 H GLU 10 H GLU 10 -8.605 -10.787 -3.267
41 HA GLU 10 HA GLU 10 -6.196 -10.252 -1.697
42 HB2 GLU 10 1HB GLU 10 -7.060 -9.381 -4.454
43 HB3 GLU 10 2HB GLU 10 -5.610 -8.777 -3.665
44 HG2 GLU 10 1HG GLU 10 -4.785 -11.105 -3.503
45 HG3 GLU 10 2HG GLU 10 -6.195 -11.629 -4.421
46 H LYS 11 H LYS 11 -5.567 -7.947 -1.403
47 HA LYS 11 HA LYS 11 -7.769 -6.504 -0.222
48 HB2 LYS 11 1HB LYS 11 -4.796 -6.031 -0.349
49 HB3 LYS 11 2HB LYS 11 -5.898 -4.847 0.343
50 HG2 LYS 11 1HG LYS 11 -5.257 -5.990 2.215
51 HG3 LYS 11 2HG LYS 11 -6.713 -6.882 1.769
52 HD2 LYS 11 1HD LYS 11 -5.113 -8.537 2.226
53 HD3 LYS 11 2HD LYS 11 -5.156 -8.430 0.465
54 HE2 LYS 11 1HE LYS 11 -2.868 -8.530 1.113
55 HE3 LYS 11 2HE LYS 11 -3.196 -6.873 0.606
56 HZ1 LYS 11 3HZ LYS 11 -3.501 -6.325 2.994
57 HZ2 LYS 11 1HZ LYS 11 -1.927 -6.803 2.599
58 HZ3 LYS 11 2HZ LYS 11 -2.966 -7.881 3.387
59 HA PRO 12 HA PRO 12 -8.623 -3.809 -3.594
60 HB2 PRO 12 1HB PRO 12 -9.673 -1.711 -2.226
61 HB3 PRO 12 2HB PRO 12 -10.537 -3.236 -2.459
62 HG2 PRO 12 1HG PRO 12 -8.995 -2.276 -0.079
63 HG3 PRO 12 2HG PRO 12 -10.561 -3.106 -0.137
64 HD2 PRO 12 1HD PRO 12 -8.251 -4.393 0.446
65 HD3 PRO 12 2HD PRO 12 -9.594 -5.180 -0.408
66 H TYR 13 H TYR 13 -6.983 -2.387 -0.780
67 HA TYR 13 HA TYR 13 -5.526 -0.608 -2.623
68 HB2 TYR 13 1HB TYR 13 -5.762 -0.106 0.330
69 HB3 TYR 13 2HB TYR 13 -5.416 1.039 -0.961
70 HD1 TYR 13 HD2 TYR 13 -7.448 1.006 -2.822
71 HD2 TYR 13 HD1 TYR 13 -7.806 0.187 1.337
72 HE1 TYR 13 HE2 TYR 13 -9.825 1.631 -2.910
73 HE2 TYR 13 HE1 TYR 13 -10.184 0.808 1.261
74 HH TYR 13 HH TYR 13 -11.771 1.629 -1.790
75 H LYS 14 H LYS 14 -3.734 -1.784 -3.087
76 HA LYS 14 HA LYS 14 -2.189 -2.909 -0.858
77 HB2 LYS 14 1HB LYS 14 -0.973 -4.177 -2.568
78 HB3 LYS 14 2HB LYS 14 -2.706 -4.460 -2.677
79 HG2 LYS 14 1HG LYS 14 -2.238 -4.174 -4.878
80 HG3 LYS 14 2HG LYS 14 -2.553 -2.494 -4.438
81 HD2 LYS 14 1HD LYS 14 -0.037 -2.340 -3.978
82 HD3 LYS 14 2HD LYS 14 0.089 -3.861 -4.866
83 HE2 LYS 14 1HE LYS 14 0.498 -2.012 -6.364
84 HE3 LYS 14 2HE LYS 14 -1.025 -2.791 -6.791
85 HZ1 LYS 14 3HZ LYS 14 -0.622 -0.118 -6.272
86 HZ2 LYS 14 1HZ LYS 14 -1.448 -0.703 -4.916
87 HZ3 LYS 14 2HZ LYS 14 -2.109 -0.902 -6.461
88 H CYS 15 H CYS 15 -0.038 -2.378 -0.527
89 HA CYS 15 HA CYS 15 0.734 0.240 -1.505
90 HB2 CYS 15 1HB CYS 15 0.967 -0.613 0.916
91 HB3 CYS 15 2HB CYS 15 2.370 -1.499 0.329
92 H GLU 16 H GLU 16 2.668 0.707 -2.593
93 HA GLU 16 HA GLU 16 3.755 -1.568 -4.107
94 HB2 GLU 16 1HB GLU 16 4.453 0.119 -5.778
95 HB3 GLU 16 2HB GLU 16 2.714 0.101 -5.518
96 HG2 GLU 16 1HG GLU 16 2.755 2.115 -4.330
97 HG3 GLU 16 2HG GLU 16 4.499 2.036 -4.088
98 H LYS 17 H LYS 17 4.652 1.340 -2.316
99 HA LYS 17 HA LYS 17 7.374 1.390 -2.658
100 HB2 LYS 17 1HB LYS 17 5.678 2.010 -0.248
101 HB3 LYS 17 2HB LYS 17 7.422 2.241 -0.233
102 HG2 LYS 17 1HG LYS 17 6.929 3.602 -2.429
103 HG3 LYS 17 2HG LYS 17 5.320 3.732 -1.713
104 HD2 LYS 17 1HD LYS 17 6.645 4.428 0.428
105 HD3 LYS 17 2HD LYS 17 7.934 4.792 -0.722
106 HE2 LYS 17 1HE LYS 17 5.155 5.832 -1.140
107 HE3 LYS 17 2HE LYS 17 6.278 6.663 -0.064
108 HZ1 LYS 17 3HZ LYS 17 7.700 6.180 -2.364
109 HZ2 LYS 17 1HZ LYS 17 7.063 7.665 -1.863
110 HZ3 LYS 17 2HZ LYS 17 6.174 6.672 -2.905
111 H CYS 18 H CYS 18 5.565 -0.515 -0.260
112 HA CYS 18 HA CYS 18 7.985 -2.151 0.134
113 HB2 CYS 18 1HB CYS 18 7.111 -2.707 2.357
114 HB3 CYS 18 2HB CYS 18 7.295 -0.967 2.170
115 H GLY 19 H GLY 19 4.436 -2.271 -0.024
116 HA2 GLY 19 1HA GLY 19 3.702 -4.046 -1.697
117 HA3 GLY 19 2HA GLY 19 4.645 -5.137 -0.693
118 H LYS 20 H LYS 20 3.880 -3.919 1.813
119 HA LYS 20 HA LYS 20 1.862 -5.457 2.694
120 HB2 LYS 20 1HB LYS 20 3.273 -3.661 3.936
121 HB3 LYS 20 2HB LYS 20 1.925 -2.589 3.583
122 HG2 LYS 20 1HG LYS 20 1.318 -3.334 5.647
123 HG3 LYS 20 2HG LYS 20 0.520 -4.545 4.640
124 HD2 LYS 20 1HD LYS 20 2.587 -5.965 4.917
125 HD3 LYS 20 2HD LYS 20 3.125 -4.804 6.133
126 HE2 LYS 20 1HE LYS 20 0.392 -5.967 6.367
127 HE3 LYS 20 2HE LYS 20 1.777 -6.968 6.802
128 HZ1 LYS 20 3HZ LYS 20 0.744 -5.635 8.650
129 HZ2 LYS 20 1HZ LYS 20 1.371 -4.250 7.906
130 HZ3 LYS 20 2HZ LYS 20 2.416 -5.456 8.466
131 H GLY 21 H GLY 21 -0.380 -5.384 2.882
132 HA2 GLY 21 1HA GLY 21 -1.697 -3.559 0.969
133 HA3 GLY 21 2HA GLY 21 -2.256 -5.185 1.331
134 H TYR 22 H TYR 22 -4.090 -3.255 1.472
135 HA TYR 22 HA TYR 22 -4.840 -3.313 4.248
136 HB2 TYR 22 1HB TYR 22 -4.347 -0.650 2.899
137 HB3 TYR 22 2HB TYR 22 -5.138 -0.863 4.457
138 HD1 TYR 22 HD1 TYR 22 -3.854 -1.521 6.426
139 HD2 TYR 22 HD2 TYR 22 -1.953 -0.907 2.670
140 HE1 TYR 22 HE1 TYR 22 -1.669 -1.439 7.552
141 HE2 TYR 22 HE2 TYR 22 0.238 -0.824 3.785
142 HH TYR 22 HH TYR 22 0.557 -1.425 7.255
143 H ASN 23 H ASN 23 -7.000 -3.410 4.450
144 HA ASN 23 HA ASN 23 -8.592 -3.157 2.016
145 HB2 ASN 23 1HB ASN 23 -10.313 -4.388 3.226
146 HB3 ASN 23 2HB ASN 23 -8.772 -5.231 3.351
147 HD21 ASN 23 1HD2 ASN 23 -11.403 -4.553 5.033
148 HD22 ASN 23 2HD2 ASN 23 -10.755 -4.444 6.631
149 H SER 24 H SER 24 -7.744 -0.727 3.057
150 HA SER 24 HA SER 24 -10.196 0.665 3.291
151 HB2 SER 24 1HB SER 24 -9.773 -0.359 5.652
152 HB3 SER 24 2HB SER 24 -8.558 0.910 5.797
153 HG SER 24 HG SER 24 -11.193 1.102 6.112
154 H LYS 25 H LYS 25 -9.889 2.625 2.461
155 HA LYS 25 HA LYS 25 -7.442 3.519 1.502
156 HB2 LYS 25 1HB LYS 25 -9.857 5.201 2.199
157 HB3 LYS 25 2HB LYS 25 -8.548 5.673 1.123
158 HG2 LYS 25 1HG LYS 25 -9.152 3.830 -0.388
159 HG3 LYS 25 2HG LYS 25 -10.497 3.421 0.678
160 HD2 LYS 25 1HD LYS 25 -11.524 4.733 -0.929
161 HD3 LYS 25 2HD LYS 25 -11.180 5.905 0.345
162 HE2 LYS 25 1HE LYS 25 -9.534 6.937 -0.862
163 HE3 LYS 25 2HE LYS 25 -9.123 5.475 -1.758
164 HZ1 LYS 25 3HZ LYS 25 -11.412 5.789 -2.827
165 HZ2 LYS 25 1HZ LYS 25 -10.158 6.813 -3.321
166 HZ3 LYS 25 2HZ LYS 25 -11.331 7.373 -2.238
167 H PHE 26 H PHE 26 -9.219 4.685 4.364
168 HA PHE 26 HA PHE 26 -7.444 6.574 5.273
169 HB2 PHE 26 1HB PHE 26 -9.518 6.379 6.400
170 HB3 PHE 26 2HB PHE 26 -9.242 4.681 6.777
171 HD1 PHE 26 HD2 PHE 26 -8.378 8.136 7.654
172 HD2 PHE 26 HD1 PHE 26 -7.919 4.025 8.660
173 HE1 PHE 26 HE2 PHE 26 -7.458 8.778 9.844
174 HE2 PHE 26 HE1 PHE 26 -6.999 4.661 10.852
175 HZ PHE 26 HZ PHE 26 -6.767 7.040 11.446
176 H ASN 27 H ASN 27 -7.476 3.124 6.166
177 HA ASN 27 HA ASN 27 -5.288 3.062 7.830
178 HB2 ASN 27 1HB ASN 27 -6.540 1.067 5.996
179 HB3 ASN 27 2HB ASN 27 -4.982 0.672 6.717
180 HD21 ASN 27 1HD2 ASN 27 -4.878 1.051 9.124
181 HD22 ASN 27 2HD2 ASN 27 -6.252 0.551 10.045
182 H LEU 28 H LEU 28 -5.242 2.414 4.321
183 HA LEU 28 HA LEU 28 -2.504 2.155 4.005
184 HB2 LEU 28 1HB LEU 28 -4.130 1.632 2.262
185 HB3 LEU 28 2HB LEU 28 -4.494 3.347 2.078
186 HG LEU 28 HG LEU 28 -2.048 3.626 1.413
187 HD11 LEU 28 1HD1 LEU 28 -1.337 1.410 2.279
188 HD12 LEU 28 2HD1 LEU 28 -0.887 1.693 0.598
189 HD13 LEU 28 3HD1 LEU 28 -2.258 0.652 0.979
190 HD21 LEU 28 3HD2 LEU 28 -4.312 2.575 -0.097
191 HD22 LEU 28 1HD2 LEU 28 -2.751 2.243 -0.849
192 HD23 LEU 28 2HD2 LEU 28 -3.213 3.904 -0.474
193 H ASP 29 H ASP 29 -4.444 5.106 3.502
194 HA ASP 29 HA ASP 29 -2.611 6.946 2.833
195 HB2 ASP 29 1HB ASP 29 -5.129 7.180 3.605
196 HB3 ASP 29 2HB ASP 29 -4.387 7.687 5.120
197 H MET 30 H MET 30 -3.213 5.967 6.207
198 HA MET 30 HA MET 30 -1.149 7.515 7.330
199 HB2 MET 30 1HB MET 30 -2.808 5.212 8.233
200 HB3 MET 30 2HB MET 30 -1.357 5.584 9.152
201 HG2 MET 30 1HG MET 30 -3.623 7.480 8.582
202 HG3 MET 30 2HG MET 30 -3.314 6.656 10.109
203 HE1 MET 30 3HE MET 30 -2.727 9.509 11.645
204 HE2 MET 30 1HE MET 30 -2.852 7.753 11.753
205 HE3 MET 30 2HE MET 30 -1.310 8.548 12.072
206 H HIS 31 H HIS 31 -1.224 3.978 6.838
207 HA HIS 31 HA HIS 31 1.242 3.204 7.496
208 HB2 HIS 31 1HB HIS 31 -0.101 1.529 6.573
209 HB3 HIS 31 2HB HIS 31 -0.407 2.449 5.103
210 HD1 HIS 31 HD1 HIS 31 2.536 0.732 6.799
211 HD2 HIS 31 HD2 HIS 31 1.103 1.645 3.007
212 HE1 HIS 31 HE1 HIS 31 4.136 -0.359 5.194
213 H GLN 32 H GLN 32 0.466 4.883 4.470
214 HA GLN 32 HA GLN 32 2.813 4.832 3.119
215 HB2 GLN 32 1HB GLN 32 1.063 7.260 3.541
216 HB3 GLN 32 2HB GLN 32 2.275 7.098 2.277
217 HG2 GLN 32 1HG GLN 32 1.012 5.104 1.446
218 HG3 GLN 32 2HG GLN 32 -0.258 5.514 2.599
219 HE21 GLN 32 1HE2 GLN 32 -1.607 5.677 0.698
220 HE22 GLN 32 2HE2 GLN 32 -1.613 7.143 -0.216
221 H LYS 33 H LYS 33 2.033 7.292 5.583
222 HA LYS 33 HA LYS 33 4.341 8.706 5.688
223 HB2 LYS 33 1HB LYS 33 3.738 9.404 7.817
224 HB3 LYS 33 2HB LYS 33 2.206 8.835 7.169
225 HG2 LYS 33 1HG LYS 33 2.585 6.670 8.325
226 HG3 LYS 33 2HG LYS 33 4.025 7.371 9.068
227 HD2 LYS 33 1HD LYS 33 2.734 8.983 10.245
228 HD3 LYS 33 2HD LYS 33 1.283 8.594 9.318
229 HE2 LYS 33 1HE LYS 33 2.633 6.487 10.956
230 HE3 LYS 33 2HE LYS 33 1.568 7.660 11.729
231 HZ1 LYS 33 3HZ LYS 33 -0.072 6.292 11.160
232 HZ2 LYS 33 1HZ LYS 33 0.908 5.394 10.113
233 HZ3 LYS 33 2HZ LYS 33 0.153 6.804 9.564
234 H VAL 34 H VAL 34 3.801 5.499 7.046
235 HA VAL 34 HA VAL 34 5.935 5.064 8.645
236 HB VAL 34 HB VAL 34 5.006 3.154 6.496
237 HG11 VAL 34 1HG1 VAL 34 6.858 2.893 8.800
238 HG12 VAL 34 2HG1 VAL 34 5.773 1.544 8.460
239 HG13 VAL 34 3HG1 VAL 34 6.895 2.108 7.221
240 HG21 VAL 34 3HG2 VAL 34 3.259 2.551 7.807
241 HG22 VAL 34 1HG2 VAL 34 4.131 2.874 9.306
242 HG23 VAL 34 2HG2 VAL 34 3.428 4.207 8.389
243 H HIS 35 H HIS 35 5.996 5.109 5.107
244 HA HIS 35 HA HIS 35 8.812 4.516 4.984
245 HB2 HIS 35 1HB HIS 35 7.105 5.602 2.746
246 HB3 HIS 35 2HB HIS 35 8.585 4.656 2.617
247 HD1 HIS 35 HD1 HIS 35 8.215 2.148 3.922
248 HD2 HIS 35 HD2 HIS 35 4.950 4.077 2.227
249 HE1 HIS 35 HE1 HIS 35 6.485 0.357 3.569
250 H THR 36 H THR 36 10.017 6.070 5.961
251 HA THR 36 HA THR 36 10.417 8.525 4.556
252 HB THR 36 HB THR 36 8.453 9.200 5.850
253 HG1 THR 36 HG1 THR 36 9.763 10.915 5.647
254 HG21 THR 36 3HG2 THR 36 9.372 7.532 7.797
255 HG22 THR 36 1HG2 THR 36 8.136 8.766 8.038
256 HG23 THR 36 2HG2 THR 36 9.817 9.109 8.450
257 H GLY 37 H GLY 37 12.564 8.610 4.540
258 HA2 GLY 37 1HA GLY 37 14.023 7.749 6.954
259 HA3 GLY 37 2HA GLY 37 14.677 7.731 5.323
260 H GLU 38 H GLU 38 13.579 9.884 7.910
261 HA GLU 38 HA GLU 38 14.330 12.328 6.915
262 HB2 GLU 38 1HB GLU 38 14.721 11.396 9.764
263 HB3 GLU 38 2HB GLU 38 14.605 13.065 9.226
264 HG2 GLU 38 1HG GLU 38 12.332 12.889 8.764
265 HG3 GLU 38 2HG GLU 38 12.381 11.128 8.724
266 H ARG 39 H ARG 39 16.386 9.959 8.572
267 HA ARG 39 HA ARG 39 18.744 11.590 8.282
268 HB2 ARG 39 1HB ARG 39 18.129 9.745 10.085
269 HB3 ARG 39 2HB ARG 39 18.903 8.679 8.919
270 HG2 ARG 39 1HG ARG 39 20.971 9.722 9.153
271 HG3 ARG 39 2HG ARG 39 20.264 11.167 9.878
272 HD2 ARG 39 1HD ARG 39 21.211 10.084 11.698
273 HD3 ARG 39 2HD ARG 39 19.524 9.576 11.771
274 HE ARG 39 HE ARG 39 20.185 7.426 11.332
275 HH11 ARG 39 1HH1 ARG 39 22.810 9.603 10.632
276 HH12 ARG 39 2HH1 ARG 39 23.968 8.337 10.391
277 HH21 ARG 39 1HH2 ARG 39 21.701 5.750 11.018
278 HH22 ARG 39 2HH2 ARG 39 23.336 6.146 10.610
279 HA PRO 40 HA PRO 40 19.889 10.258 4.241
280 HB2 PRO 40 1HB PRO 40 22.536 10.855 4.351
281 HB3 PRO 40 2HB PRO 40 21.278 12.088 4.202
282 HG2 PRO 40 1HG PRO 40 22.760 11.180 6.639
283 HG3 PRO 40 2HG PRO 40 22.343 12.827 6.132
284 HD2 PRO 40 1HD PRO 40 20.933 11.480 8.011
285 HD3 PRO 40 2HD PRO 40 20.181 12.655 6.913
286 H SER 41 H SER 41 20.619 8.638 7.020
287 HA SER 41 HA SER 41 22.710 6.995 6.747
288 HB2 SER 41 1HB SER 41 21.449 5.233 7.849
289 HB3 SER 41 2HB SER 41 20.970 6.794 8.516
290 HG SER 41 HG SER 41 19.316 5.088 7.741
291 H GLY 42 H GLY 42 23.470 5.455 5.414
292 HA2 GLY 42 1HA GLY 42 22.395 5.166 2.819
293 HA3 GLY 42 2HA GLY 42 23.683 4.189 3.510
294 HA PRO 43 HA PRO 43 19.402 1.981 3.276
295 HB2 PRO 43 1HB PRO 43 19.451 0.969 0.757
296 HB3 PRO 43 2HB PRO 43 18.713 2.526 1.154
297 HG2 PRO 43 1HG PRO 43 21.410 1.950 -0.012
298 HG3 PRO 43 2HG PRO 43 20.239 3.201 -0.467
299 HD2 PRO 43 1HD PRO 43 22.397 3.720 1.084
300 HD3 PRO 43 2HD PRO 43 20.859 4.589 1.265
301 H SER 44 H SER 44 20.469 0.583 4.723
302 HA SER 44 HA SER 44 22.500 -1.234 3.887
303 HB2 SER 44 1HB SER 44 22.025 -2.340 6.105
304 HB3 SER 44 2HB SER 44 22.419 -0.624 6.207
305 HG SER 44 HG SER 44 20.014 -1.935 6.690
306 H SER 45 H SER 45 21.840 -2.469 2.173
307 HA SER 45 HA SER 45 19.439 -3.609 1.617
308 HB2 SER 45 1HB SER 45 21.780 -3.771 0.409
309 HB3 SER 45 2HB SER 45 21.867 -5.319 1.248
310 HG SER 45 HG SER 45 20.796 -5.076 -0.984
311 H GLY 46 H GLY 46 18.142 -4.534 3.089
312 HA2 GLY 46 1HA GLY 46 17.975 -7.000 3.894
313 HA3 GLY 46 2HA GLY 46 19.286 -6.498 4.950
Start of MODEL 10
1 H1 GLY 1 H GLY 1 3.285 -2.534 -21.440
2 HA2 GLY 1 1HA GLY 1 2.644 -2.457 -18.727
3 HA3 GLY 1 2HA GLY 1 2.725 -0.791 -19.283
4 H SER 2 H SER 2 1.508 -3.780 -20.791
5 HA SER 2 HA SER 2 -0.794 -2.398 -21.811
6 HB2 SER 2 1HB SER 2 0.372 -4.272 -23.013
7 HB3 SER 2 2HB SER 2 -0.270 -5.378 -21.799
8 HG SER 2 HG SER 2 -1.514 -5.079 -23.829
9 H SER 3 H SER 3 -3.003 -3.505 -21.536
10 HA SER 3 HA SER 3 -3.509 -3.679 -18.666
11 HB2 SER 3 1HB SER 3 -5.838 -3.282 -19.220
12 HB3 SER 3 2HB SER 3 -4.838 -2.107 -20.074
13 HG SER 3 HG SER 3 -6.293 -4.277 -21.070
14 H GLY 4 H GLY 4 -5.174 -5.259 -17.918
15 HA2 GLY 4 1HA GLY 4 -6.312 -7.393 -18.756
16 HA3 GLY 4 2HA GLY 4 -4.682 -7.859 -19.218
17 H SER 5 H SER 5 -6.931 -7.490 -16.615
18 HA SER 5 HA SER 5 -5.613 -9.368 -14.984
19 HB2 SER 5 1HB SER 5 -4.913 -7.905 -13.124
20 HB3 SER 5 2HB SER 5 -4.012 -7.552 -14.598
21 HG SER 5 HG SER 5 -4.661 -5.584 -14.273
22 H SER 6 H SER 6 -6.607 -9.404 -12.720
23 HA SER 6 HA SER 6 -9.122 -8.074 -12.365
24 HB2 SER 6 1HB SER 6 -10.606 -9.896 -12.611
25 HB3 SER 6 2HB SER 6 -9.567 -9.978 -14.033
26 HG SER 6 HG SER 6 -9.471 -11.567 -11.695
27 H GLY 7 H GLY 7 -9.821 -8.150 -10.262
28 HA2 GLY 7 1HA GLY 7 -7.980 -9.450 -8.385
29 HA3 GLY 7 2HA GLY 7 -9.087 -8.140 -8.003
30 H THR 8 H THR 8 -8.558 -11.457 -7.842
31 HA THR 8 HA THR 8 -11.405 -12.029 -7.389
32 HB THR 8 HB THR 8 -10.760 -14.419 -7.491
33 HG1 THR 8 HG1 THR 8 -8.240 -13.637 -8.490
34 HG21 THR 8 3HG2 THR 8 -10.022 -14.359 -9.956
35 HG22 THR 8 1HG2 THR 8 -10.121 -12.606 -9.798
36 HG23 THR 8 2HG2 THR 8 -11.555 -13.597 -9.534
37 H GLY 9 H GLY 9 -11.755 -11.364 -5.307
38 HA2 GLY 9 1HA GLY 9 -11.710 -11.434 -3.014
39 HA3 GLY 9 2HA GLY 9 -11.100 -13.072 -3.202
40 H GLU 10 H GLU 10 -9.764 -9.833 -3.873
41 HA GLU 10 HA GLU 10 -7.534 -10.477 -2.069
42 HB2 GLU 10 1HB GLU 10 -7.287 -9.239 -4.817
43 HB3 GLU 10 2HB GLU 10 -5.970 -9.425 -3.667
44 HG2 GLU 10 1HG GLU 10 -6.668 -11.950 -3.755
45 HG3 GLU 10 2HG GLU 10 -7.363 -11.478 -5.305
46 H LYS 11 H LYS 11 -6.506 -8.684 -1.097
47 HA LYS 11 HA LYS 11 -7.999 -6.728 -0.024
48 HB2 LYS 11 1HB LYS 11 -6.028 -5.564 0.538
49 HB3 LYS 11 2HB LYS 11 -5.536 -7.247 0.392
50 HG2 LYS 11 1HG LYS 11 -5.253 -5.293 -1.868
51 HG3 LYS 11 2HG LYS 11 -4.008 -5.507 -0.635
52 HD2 LYS 11 1HD LYS 11 -5.118 -7.806 -2.225
53 HD3 LYS 11 2HD LYS 11 -3.741 -6.850 -2.778
54 HE2 LYS 11 1HE LYS 11 -3.856 -8.226 -0.101
55 HE3 LYS 11 2HE LYS 11 -3.156 -8.957 -1.544
56 HZ1 LYS 11 3HZ LYS 11 -2.249 -6.452 -0.232
57 HZ2 LYS 11 1HZ LYS 11 -1.607 -7.081 -1.665
58 HZ3 LYS 11 2HZ LYS 11 -1.443 -7.939 -0.217
59 HA PRO 12 HA PRO 12 -9.282 -3.948 -3.188
60 HB2 PRO 12 1HB PRO 12 -9.777 -1.759 -1.660
61 HB3 PRO 12 2HB PRO 12 -10.831 -3.178 -1.675
62 HG2 PRO 12 1HG PRO 12 -8.714 -2.410 0.298
63 HG3 PRO 12 2HG PRO 12 -10.336 -3.064 0.595
64 HD2 PRO 12 1HD PRO 12 -8.107 -4.599 0.684
65 HD3 PRO 12 2HD PRO 12 -9.680 -5.229 0.155
66 H TYR 13 H TYR 13 -7.135 -2.448 -0.759
67 HA TYR 13 HA TYR 13 -5.899 -0.870 -2.900
68 HB2 TYR 13 1HB TYR 13 -5.441 -0.543 0.063
69 HB3 TYR 13 2HB TYR 13 -5.113 0.618 -1.220
70 HD1 TYR 13 HD2 TYR 13 -7.148 1.527 -2.518
71 HD2 TYR 13 HD1 TYR 13 -7.456 -0.457 1.233
72 HE1 TYR 13 HE2 TYR 13 -9.360 2.544 -2.168
73 HE2 TYR 13 HE1 TYR 13 -9.669 0.554 1.593
74 HH TYR 13 HH TYR 13 -11.536 1.721 -0.607
75 H LYS 14 H LYS 14 -3.451 -0.381 -2.243
76 HA LYS 14 HA LYS 14 -2.004 -2.611 -1.175
77 HB2 LYS 14 1HB LYS 14 -2.611 -3.448 -3.438
78 HB3 LYS 14 2HB LYS 14 -1.766 -2.075 -4.142
79 HG2 LYS 14 1HG LYS 14 0.298 -2.901 -2.927
80 HG3 LYS 14 2HG LYS 14 -0.607 -4.383 -2.610
81 HD2 LYS 14 1HD LYS 14 -0.859 -4.798 -4.963
82 HD3 LYS 14 2HD LYS 14 -0.151 -3.231 -5.360
83 HE2 LYS 14 1HE LYS 14 1.989 -3.906 -4.621
84 HE3 LYS 14 2HE LYS 14 1.344 -5.336 -3.818
85 HZ1 LYS 14 3HZ LYS 14 1.439 -4.871 -6.749
86 HZ2 LYS 14 1HZ LYS 14 0.755 -6.226 -6.002
87 HZ3 LYS 14 2HZ LYS 14 2.417 -5.940 -5.875
88 H CYS 15 H CYS 15 0.216 -2.179 -0.902
89 HA CYS 15 HA CYS 15 0.883 0.667 -1.158
90 HB2 CYS 15 1HB CYS 15 0.971 -0.333 1.107
91 HB3 CYS 15 2HB CYS 15 2.195 -1.465 0.541
92 H GLU 16 H GLU 16 2.236 1.282 -2.699
93 HA GLU 16 HA GLU 16 3.902 -0.732 -4.016
94 HB2 GLU 16 1HB GLU 16 2.839 1.951 -4.813
95 HB3 GLU 16 2HB GLU 16 4.266 1.315 -5.618
96 HG2 GLU 16 1HG GLU 16 1.795 -0.346 -5.397
97 HG3 GLU 16 2HG GLU 16 1.932 0.897 -6.639
98 H LYS 17 H LYS 17 4.698 0.133 -1.446
99 HA LYS 17 HA LYS 17 7.195 1.544 -2.116
100 HB2 LYS 17 1HB LYS 17 5.463 1.852 0.336
101 HB3 LYS 17 2HB LYS 17 7.125 2.422 0.260
102 HG2 LYS 17 1HG LYS 17 5.194 3.289 -1.837
103 HG3 LYS 17 2HG LYS 17 5.136 4.037 -0.239
104 HD2 LYS 17 1HD LYS 17 7.711 4.303 -0.588
105 HD3 LYS 17 2HD LYS 17 7.306 4.108 -2.295
106 HE2 LYS 17 1HE LYS 17 6.004 6.128 -0.477
107 HE3 LYS 17 2HE LYS 17 7.401 6.481 -1.493
108 HZ1 LYS 17 3HZ LYS 17 5.396 5.253 -3.044
109 HZ2 LYS 17 1HZ LYS 17 6.062 6.800 -3.207
110 HZ3 LYS 17 2HZ LYS 17 4.719 6.559 -2.208
111 H CYS 18 H CYS 18 5.628 -0.634 0.217
112 HA CYS 18 HA CYS 18 8.248 -1.905 0.665
113 HB2 CYS 18 1HB CYS 18 7.260 -2.732 2.807
114 HB3 CYS 18 2HB CYS 18 7.396 -0.979 2.719
115 H GLY 19 H GLY 19 4.767 -2.596 0.393
116 HA2 GLY 19 1HA GLY 19 4.187 -4.337 -1.280
117 HA3 GLY 19 2HA GLY 19 5.499 -5.285 -0.594
118 H LYS 20 H LYS 20 2.750 -3.473 0.776
119 HA LYS 20 HA LYS 20 1.971 -5.939 2.190
120 HB2 LYS 20 1HB LYS 20 2.206 -3.124 3.187
121 HB3 LYS 20 2HB LYS 20 1.025 -4.206 3.914
122 HG2 LYS 20 1HG LYS 20 3.922 -4.947 3.662
123 HG3 LYS 20 2HG LYS 20 3.295 -4.034 5.037
124 HD2 LYS 20 1HD LYS 20 2.064 -6.637 4.184
125 HD3 LYS 20 2HD LYS 20 3.462 -6.586 5.261
126 HE2 LYS 20 1HE LYS 20 2.188 -5.155 6.807
127 HE3 LYS 20 2HE LYS 20 0.790 -5.268 5.739
128 HZ1 LYS 20 3HZ LYS 20 1.812 -7.842 6.400
129 HZ2 LYS 20 1HZ LYS 20 0.249 -7.226 6.597
130 HZ3 LYS 20 2HZ LYS 20 1.417 -6.970 7.794
131 H GLY 21 H GLY 21 -0.381 -5.642 3.084
132 HA2 GLY 21 1HA GLY 21 -2.017 -4.440 0.935
133 HA3 GLY 21 2HA GLY 21 -2.378 -6.020 1.615
134 H TYR 22 H TYR 22 -4.071 -3.654 1.500
135 HA TYR 22 HA TYR 22 -4.731 -3.527 4.342
136 HB2 TYR 22 1HB TYR 22 -4.047 -1.183 2.607
137 HB3 TYR 22 2HB TYR 22 -5.244 -0.994 3.884
138 HD1 TYR 22 HD1 TYR 22 -4.514 -1.757 6.261
139 HD2 TYR 22 HD2 TYR 22 -1.791 -0.921 3.100
140 HE1 TYR 22 HE1 TYR 22 -2.716 -1.427 7.906
141 HE2 TYR 22 HE2 TYR 22 0.015 -0.591 4.736
142 HH TYR 22 HH TYR 22 0.556 -1.266 7.044
143 H ASN 23 H ASN 23 -6.921 -2.935 4.766
144 HA ASN 23 HA ASN 23 -8.682 -3.272 2.427
145 HB2 ASN 23 1HB ASN 23 -9.155 -4.105 5.298
146 HB3 ASN 23 2HB ASN 23 -10.326 -4.267 3.993
147 HD21 ASN 23 1HD2 ASN 23 -9.390 -5.441 2.020
148 HD22 ASN 23 2HD2 ASN 23 -8.506 -6.885 2.364
149 H SER 24 H SER 24 -7.655 -0.753 3.353
150 HA SER 24 HA SER 24 -10.121 0.686 3.537
151 HB2 SER 24 1HB SER 24 -9.412 -0.093 5.957
152 HB3 SER 24 2HB SER 24 -8.292 1.265 5.834
153 HG SER 24 HG SER 24 -9.916 2.630 5.922
154 H LYS 25 H LYS 25 -9.907 2.649 2.633
155 HA LYS 25 HA LYS 25 -7.491 3.377 1.370
156 HB2 LYS 25 1HB LYS 25 -8.662 5.407 0.699
157 HB3 LYS 25 2HB LYS 25 -9.705 4.005 0.502
158 HG2 LYS 25 1HG LYS 25 -11.013 4.579 2.363
159 HG3 LYS 25 2HG LYS 25 -9.815 5.735 2.951
160 HD2 LYS 25 1HD LYS 25 -10.281 6.865 0.606
161 HD3 LYS 25 2HD LYS 25 -11.816 6.008 0.763
162 HE2 LYS 25 1HE LYS 25 -10.698 7.776 2.927
163 HE3 LYS 25 2HE LYS 25 -11.754 8.379 1.651
164 HZ1 LYS 25 3HZ LYS 25 -13.300 6.490 2.411
165 HZ2 LYS 25 1HZ LYS 25 -13.211 7.891 3.355
166 HZ3 LYS 25 2HZ LYS 25 -12.379 6.497 3.831
167 H PHE 26 H PHE 26 -8.870 4.165 4.460
168 HA PHE 26 HA PHE 26 -7.261 6.468 4.965
169 HB2 PHE 26 1HB PHE 26 -9.133 6.469 6.312
170 HB3 PHE 26 2HB PHE 26 -9.073 4.730 6.579
171 HD1 PHE 26 HD2 PHE 26 -6.640 7.498 7.169
172 HD2 PHE 26 HD1 PHE 26 -8.878 4.273 8.816
173 HE1 PHE 26 HE2 PHE 26 -5.571 7.875 9.352
174 HE2 PHE 26 HE1 PHE 26 -7.813 4.646 11.002
175 HZ PHE 26 HZ PHE 26 -6.156 6.448 11.272
176 H ASN 27 H ASN 27 -7.121 3.108 6.144
177 HA ASN 27 HA ASN 27 -4.821 3.297 7.670
178 HB2 ASN 27 1HB ASN 27 -6.484 1.300 7.232
179 HB3 ASN 27 2HB ASN 27 -5.286 0.839 6.026
180 HD21 ASN 27 1HD2 ASN 27 -6.228 0.030 8.917
181 HD22 ASN 27 2HD2 ASN 27 -4.728 -0.344 9.689
182 H LEU 28 H LEU 28 -5.114 2.530 4.213
183 HA LEU 28 HA LEU 28 -2.441 2.061 3.644
184 HB2 LEU 28 1HB LEU 28 -4.135 1.606 2.019
185 HB3 LEU 28 2HB LEU 28 -4.606 3.303 1.960
186 HG LEU 28 HG LEU 28 -2.206 3.695 1.076
187 HD11 LEU 28 1HD1 LEU 28 -1.576 1.289 1.639
188 HD12 LEU 28 2HD1 LEU 28 -1.095 1.905 0.059
189 HD13 LEU 28 3HD1 LEU 28 -2.493 0.839 0.201
190 HD21 LEU 28 3HD2 LEU 28 -2.988 3.036 -1.248
191 HD22 LEU 28 1HD2 LEU 28 -4.039 4.123 -0.339
192 HD23 LEU 28 2HD2 LEU 28 -4.443 2.412 -0.470
193 H ASP 29 H ASP 29 -4.154 5.093 4.046
194 HA ASP 29 HA ASP 29 -2.092 6.766 3.028
195 HB2 ASP 29 1HB ASP 29 -4.364 7.592 3.150
196 HB3 ASP 29 2HB ASP 29 -4.397 7.355 4.895
197 H MET 30 H MET 30 -3.161 6.149 6.378
198 HA MET 30 HA MET 30 -1.116 7.519 7.665
199 HB2 MET 30 1HB MET 30 -1.905 6.597 9.613
200 HB3 MET 30 2HB MET 30 -3.286 6.311 8.562
201 HG2 MET 30 1HG MET 30 -3.098 4.252 9.483
202 HG3 MET 30 2HG MET 30 -2.018 4.042 8.107
203 HE1 MET 30 3HE MET 30 -0.640 4.814 12.442
204 HE2 MET 30 1HE MET 30 -1.526 6.004 11.488
205 HE3 MET 30 2HE MET 30 -2.314 4.505 11.980
206 H HIS 31 H HIS 31 -1.143 4.331 6.238
207 HA HIS 31 HA HIS 31 1.242 3.383 7.458
208 HB2 HIS 31 1HB HIS 31 -0.310 1.797 6.518
209 HB3 HIS 31 2HB HIS 31 -0.190 2.549 4.929
210 HD1 HIS 31 HD1 HIS 31 2.112 0.777 7.389
211 HD2 HIS 31 HD2 HIS 31 1.585 1.316 3.304
212 HE1 HIS 31 HE1 HIS 31 3.847 -0.675 6.290
213 H GLN 32 H GLN 32 0.590 4.669 4.197
214 HA GLN 32 HA GLN 32 3.033 4.592 3.047
215 HB2 GLN 32 1HB GLN 32 0.932 6.739 2.977
216 HB3 GLN 32 2HB GLN 32 2.415 6.897 2.046
217 HG2 GLN 32 1HG GLN 32 1.905 5.059 0.699
218 HG3 GLN 32 2HG GLN 32 0.677 4.469 1.817
219 HE21 GLN 32 1HE2 GLN 32 -1.354 5.407 1.822
220 HE22 GLN 32 2HE2 GLN 32 -1.903 6.437 0.549
221 H LYS 33 H LYS 33 1.945 7.085 5.332
222 HA LYS 33 HA LYS 33 4.084 8.782 5.346
223 HB2 LYS 33 1HB LYS 33 2.530 7.806 7.749
224 HB3 LYS 33 2HB LYS 33 3.553 9.236 7.725
225 HG2 LYS 33 1HG LYS 33 2.106 10.376 6.264
226 HG3 LYS 33 2HG LYS 33 1.230 8.899 5.854
227 HD2 LYS 33 1HD LYS 33 -0.197 10.006 7.336
228 HD3 LYS 33 2HD LYS 33 0.618 8.811 8.348
229 HE2 LYS 33 1HE LYS 33 1.974 10.417 9.358
230 HE3 LYS 33 2HE LYS 33 1.699 11.593 8.074
231 HZ1 LYS 33 3HZ LYS 33 -0.002 10.901 10.356
232 HZ2 LYS 33 1HZ LYS 33 -0.754 11.392 8.922
233 HZ3 LYS 33 2HZ LYS 33 0.348 12.418 9.692
234 H VAL 34 H VAL 34 3.836 5.646 6.947
235 HA VAL 34 HA VAL 34 5.994 5.574 8.584
236 HB VAL 34 HB VAL 34 5.209 3.390 6.650
237 HG11 VAL 34 1HG1 VAL 34 6.492 1.893 7.842
238 HG12 VAL 34 2HG1 VAL 34 7.509 3.335 7.887
239 HG13 VAL 34 3HG1 VAL 34 6.524 2.905 9.285
240 HG21 VAL 34 3HG2 VAL 34 4.440 3.487 9.536
241 HG22 VAL 34 1HG2 VAL 34 3.510 4.397 8.345
242 HG23 VAL 34 2HG2 VAL 34 3.661 2.646 8.196
243 H HIS 35 H HIS 35 6.062 5.200 5.060
244 HA HIS 35 HA HIS 35 8.936 4.926 5.010
245 HB2 HIS 35 1HB HIS 35 7.247 5.487 2.591
246 HB3 HIS 35 2HB HIS 35 8.729 4.544 2.710
247 HD1 HIS 35 HD1 HIS 35 8.441 2.185 4.029
248 HD2 HIS 35 HD2 HIS 35 4.966 4.011 2.669
249 HE1 HIS 35 HE1 HIS 35 6.688 0.382 4.034
250 H THR 36 H THR 36 8.215 7.272 6.297
251 HA THR 36 HA THR 36 9.148 9.306 4.380
252 HB THR 36 HB THR 36 7.208 9.735 6.661
253 HG1 THR 36 HG1 THR 36 6.904 9.759 3.829
254 HG21 THR 36 3HG2 THR 36 7.139 12.030 6.042
255 HG22 THR 36 1HG2 THR 36 8.118 11.742 4.605
256 HG23 THR 36 2HG2 THR 36 8.843 11.607 6.207
257 H GLY 37 H GLY 37 8.982 8.390 7.812
258 HA2 GLY 37 1HA GLY 37 10.506 8.644 9.511
259 HA3 GLY 37 2HA GLY 37 11.726 8.866 8.266
260 H GLU 38 H GLU 38 8.868 10.862 8.866
261 HA GLU 38 HA GLU 38 10.602 13.197 9.057
262 HB2 GLU 38 1HB GLU 38 8.669 14.512 8.658
263 HB3 GLU 38 2HB GLU 38 8.545 13.126 7.584
264 HG2 GLU 38 1HG GLU 38 6.792 12.209 8.738
265 HG3 GLU 38 2HG GLU 38 7.232 13.001 10.251
266 H ARG 39 H ARG 39 10.538 14.672 10.778
267 HA ARG 39 HA ARG 39 9.146 13.818 13.211
268 HB2 ARG 39 1HB ARG 39 12.101 14.194 12.874
269 HB3 ARG 39 2HB ARG 39 11.346 14.525 14.427
270 HG2 ARG 39 1HG ARG 39 10.825 12.322 14.801
271 HG3 ARG 39 2HG ARG 39 10.809 11.923 13.081
272 HD2 ARG 39 1HD ARG 39 13.336 12.729 14.485
273 HD3 ARG 39 2HD ARG 39 12.762 11.062 14.507
274 HE ARG 39 HE ARG 39 12.746 11.702 11.874
275 HH11 ARG 39 1HH1 ARG 39 15.150 11.884 14.385
276 HH12 ARG 39 2HH1 ARG 39 16.484 11.643 13.305
277 HH21 ARG 39 1HH2 ARG 39 14.494 11.383 10.442
278 HH22 ARG 39 2HH2 ARG 39 16.109 11.359 11.063
279 HA PRO 40 HA PRO 40 8.176 18.099 13.521
280 HB2 PRO 40 1HB PRO 40 7.594 18.223 16.170
281 HB3 PRO 40 2HB PRO 40 6.523 17.465 14.986
282 HG2 PRO 40 1HG PRO 40 8.485 16.190 16.853
283 HG3 PRO 40 2HG PRO 40 6.835 15.684 16.448
284 HD2 PRO 40 1HD PRO 40 9.024 14.530 15.349
285 HD3 PRO 40 2HD PRO 40 7.489 14.694 14.472
286 H SER 41 H SER 41 9.443 19.838 13.634
287 HA SER 41 HA SER 41 12.052 19.854 14.531
288 HB2 SER 41 1HB SER 41 11.816 22.377 14.530
289 HB3 SER 41 2HB SER 41 11.330 21.575 13.036
290 HG SER 41 HG SER 41 9.823 23.176 13.783
291 H GLY 42 H GLY 42 9.189 21.147 16.217
292 HA2 GLY 42 1HA GLY 42 10.689 21.731 18.600
293 HA3 GLY 42 2HA GLY 42 8.946 21.848 18.408
294 HA PRO 43 HA PRO 43 10.129 18.154 21.075
295 HB2 PRO 43 1HB PRO 43 8.873 18.991 23.332
296 HB3 PRO 43 2HB PRO 43 10.553 19.395 22.961
297 HG2 PRO 43 1HG PRO 43 8.083 21.045 22.591
298 HG3 PRO 43 2HG PRO 43 9.670 21.530 23.216
299 HD2 PRO 43 1HD PRO 43 8.887 22.039 20.675
300 HD3 PRO 43 2HD PRO 43 10.580 21.727 21.108
301 H SER 44 H SER 44 8.806 16.625 20.274
302 HA SER 44 HA SER 44 6.016 16.649 21.111
303 HB2 SER 44 1HB SER 44 6.931 16.650 18.248
304 HB3 SER 44 2HB SER 44 5.423 15.858 18.705
305 HG SER 44 HG SER 44 5.749 18.393 19.731
306 H SER 45 H SER 45 4.962 14.535 20.758
307 HA SER 45 HA SER 45 6.874 12.394 21.268
308 HB2 SER 45 1HB SER 45 4.738 12.892 22.662
309 HB3 SER 45 2HB SER 45 3.885 12.073 21.354
310 HG SER 45 HG SER 45 4.435 10.577 22.938
311 H GLY 46 H GLY 46 7.460 10.981 19.763
312 HA2 GLY 46 1HA GLY 46 5.576 10.296 17.622
313 HA3 GLY 46 2HA GLY 46 7.150 10.931 17.164
Start of MODEL 11
1 H1 GLY 1 H GLY 1 9.287 -32.246 -8.355
2 HA2 GLY 1 1HA GLY 1 9.546 -31.598 -5.679
3 HA3 GLY 1 2HA GLY 1 11.089 -31.194 -6.417
4 H SER 2 H SER 2 8.052 -30.056 -5.664
5 HA SER 2 HA SER 2 8.520 -27.521 -6.828
6 HB2 SER 2 1HB SER 2 7.664 -29.113 -8.764
7 HB3 SER 2 2HB SER 2 6.091 -28.765 -8.048
8 HG SER 2 HG SER 2 6.600 -27.249 -9.660
9 H SER 3 H SER 3 7.870 -26.381 -5.124
10 HA SER 3 HA SER 3 5.140 -26.813 -4.127
11 HB2 SER 3 1HB SER 3 5.927 -26.398 -1.820
12 HB3 SER 3 2HB SER 3 6.664 -27.842 -2.513
13 HG SER 3 HG SER 3 8.015 -25.426 -2.835
14 H GLY 4 H GLY 4 4.125 -24.954 -3.219
15 HA2 GLY 4 1HA GLY 4 5.501 -22.396 -3.629
16 HA3 GLY 4 2HA GLY 4 3.993 -22.675 -4.488
17 H SER 5 H SER 5 3.250 -20.765 -3.333
18 HA SER 5 HA SER 5 2.188 -21.494 -0.694
19 HB2 SER 5 1HB SER 5 4.186 -19.978 -0.463
20 HB3 SER 5 2HB SER 5 3.275 -18.745 -1.335
21 HG SER 5 HG SER 5 3.012 -18.440 0.874
22 H SER 6 H SER 6 0.061 -21.227 -0.571
23 HA SER 6 HA SER 6 -1.263 -19.620 -2.644
24 HB2 SER 6 1HB SER 6 -3.170 -20.997 -2.396
25 HB3 SER 6 2HB SER 6 -1.802 -22.108 -2.325
26 HG SER 6 HG SER 6 -3.286 -21.074 -0.139
27 H GLY 7 H GLY 7 -3.098 -18.311 -2.058
28 HA2 GLY 7 1HA GLY 7 -4.479 -17.398 -0.240
29 HA3 GLY 7 2HA GLY 7 -3.037 -17.433 0.763
30 H THR 8 H THR 8 -3.457 -16.296 -2.572
31 HA THR 8 HA THR 8 -1.818 -14.110 -2.442
32 HB THR 8 HB THR 8 -3.248 -13.096 -4.255
33 HG1 THR 8 HG1 THR 8 -4.881 -15.245 -3.461
34 HG21 THR 8 3HG2 THR 8 -3.017 -15.316 -5.712
35 HG22 THR 8 1HG2 THR 8 -2.066 -15.820 -4.316
36 HG23 THR 8 2HG2 THR 8 -1.614 -14.370 -5.213
37 H GLY 9 H GLY 9 -5.306 -14.176 -1.730
38 HA2 GLY 9 1HA GLY 9 -6.564 -12.828 -0.351
39 HA3 GLY 9 2HA GLY 9 -5.061 -12.170 0.278
40 H GLU 10 H GLU 10 -7.601 -11.803 -2.072
41 HA GLU 10 HA GLU 10 -6.525 -9.662 -3.546
42 HB2 GLU 10 1HB GLU 10 -8.820 -9.228 -4.260
43 HB3 GLU 10 2HB GLU 10 -8.470 -10.950 -4.300
44 HG2 GLU 10 1HG GLU 10 -9.867 -11.420 -2.547
45 HG3 GLU 10 2HG GLU 10 -9.735 -9.799 -1.866
46 H LYS 11 H LYS 11 -6.932 -7.421 -3.425
47 HA LYS 11 HA LYS 11 -8.266 -6.273 -1.161
48 HB2 LYS 11 1HB LYS 11 -5.803 -7.049 -0.512
49 HB3 LYS 11 2HB LYS 11 -5.386 -5.517 -1.269
50 HG2 LYS 11 1HG LYS 11 -6.504 -4.273 0.329
51 HG3 LYS 11 2HG LYS 11 -7.517 -5.631 0.823
52 HD2 LYS 11 1HD LYS 11 -4.536 -5.580 1.243
53 HD3 LYS 11 2HD LYS 11 -5.680 -4.954 2.433
54 HE2 LYS 11 1HE LYS 11 -6.090 -7.700 1.355
55 HE3 LYS 11 2HE LYS 11 -4.810 -7.440 2.539
56 HZ1 LYS 11 3HZ LYS 11 -7.137 -6.147 3.426
57 HZ2 LYS 11 1HZ LYS 11 -6.322 -7.448 4.135
58 HZ3 LYS 11 2HZ LYS 11 -7.545 -7.733 3.003
59 HA PRO 12 HA PRO 12 -8.683 -3.047 -4.134
60 HB2 PRO 12 1HB PRO 12 -9.529 -1.070 -2.476
61 HB3 PRO 12 2HB PRO 12 -10.559 -2.422 -2.963
62 HG2 PRO 12 1HG PRO 12 -9.010 -2.037 -0.430
63 HG3 PRO 12 2HG PRO 12 -10.661 -2.647 -0.651
64 HD2 PRO 12 1HD PRO 12 -8.546 -4.285 -0.229
65 HD3 PRO 12 2HD PRO 12 -9.938 -4.759 -1.224
66 H TYR 13 H TYR 13 -7.015 -2.267 -1.092
67 HA TYR 13 HA TYR 13 -5.288 -0.416 -2.598
68 HB2 TYR 13 1HB TYR 13 -5.608 -0.397 0.395
69 HB3 TYR 13 2HB TYR 13 -5.004 0.883 -0.651
70 HD1 TYR 13 HD2 TYR 13 -6.943 1.343 -2.637
71 HD2 TYR 13 HD1 TYR 13 -7.588 0.188 1.407
72 HE1 TYR 13 HE2 TYR 13 -9.189 2.341 -2.716
73 HE2 TYR 13 HE1 TYR 13 -9.837 1.183 1.339
74 HH TYR 13 HH TYR 13 -10.913 3.193 -0.226
75 H LYS 14 H LYS 14 -3.258 -1.025 -2.896
76 HA LYS 14 HA LYS 14 -2.034 -2.878 -0.964
77 HB2 LYS 14 1HB LYS 14 -0.838 -3.942 -2.869
78 HB3 LYS 14 2HB LYS 14 -2.580 -4.180 -2.918
79 HG2 LYS 14 1HG LYS 14 -2.743 -2.331 -4.555
80 HG3 LYS 14 2HG LYS 14 -0.981 -2.227 -4.560
81 HD2 LYS 14 1HD LYS 14 -2.261 -4.867 -5.079
82 HD3 LYS 14 2HD LYS 14 -2.270 -3.654 -6.361
83 HE2 LYS 14 1HE LYS 14 -0.307 -4.766 -6.809
84 HE3 LYS 14 2HE LYS 14 0.270 -3.451 -5.786
85 HZ1 LYS 14 3HZ LYS 14 0.992 -5.891 -5.322
86 HZ2 LYS 14 1HZ LYS 14 -0.503 -5.993 -4.536
87 HZ3 LYS 14 2HZ LYS 14 0.641 -4.853 -4.034
88 H CYS 15 H CYS 15 -0.177 -2.175 -0.140
89 HA CYS 15 HA CYS 15 0.923 0.329 -0.875
90 HB2 CYS 15 1HB CYS 15 1.014 -0.987 1.393
91 HB3 CYS 15 2HB CYS 15 2.475 -1.689 0.706
92 H GLU 16 H GLU 16 1.832 0.569 -2.827
93 HA GLU 16 HA GLU 16 3.443 -1.536 -3.997
94 HB2 GLU 16 1HB GLU 16 1.826 0.005 -5.261
95 HB3 GLU 16 2HB GLU 16 3.071 1.236 -5.110
96 HG2 GLU 16 1HG GLU 16 3.507 0.357 -7.187
97 HG3 GLU 16 2HG GLU 16 4.621 -0.547 -6.163
98 H LYS 17 H LYS 17 4.334 -0.164 -1.535
99 HA LYS 17 HA LYS 17 6.860 0.980 -2.534
100 HB2 LYS 17 1HB LYS 17 5.305 1.543 -0.012
101 HB3 LYS 17 2HB LYS 17 6.984 2.026 -0.212
102 HG2 LYS 17 1HG LYS 17 5.067 2.823 -2.327
103 HG3 LYS 17 2HG LYS 17 4.967 3.647 -0.769
104 HD2 LYS 17 1HD LYS 17 6.492 4.997 -1.793
105 HD3 LYS 17 2HD LYS 17 7.596 3.799 -1.113
106 HE2 LYS 17 1HE LYS 17 8.053 4.351 -3.493
107 HE3 LYS 17 2HE LYS 17 7.727 2.642 -3.208
108 HZ1 LYS 17 3HZ LYS 17 6.596 3.746 -5.183
109 HZ2 LYS 17 1HZ LYS 17 5.587 4.497 -4.051
110 HZ3 LYS 17 2HZ LYS 17 5.624 2.810 -4.162
111 H CYS 18 H CYS 18 5.445 -0.964 0.086
112 HA CYS 18 HA CYS 18 8.074 -2.241 0.451
113 HB2 CYS 18 1HB CYS 18 7.151 -2.927 2.702
114 HB3 CYS 18 2HB CYS 18 7.418 -1.199 2.493
115 H GLY 19 H GLY 19 4.585 -2.865 0.295
116 HA2 GLY 19 1HA GLY 19 3.955 -4.748 -1.197
117 HA3 GLY 19 2HA GLY 19 5.227 -5.665 -0.404
118 H LYS 20 H LYS 20 2.619 -3.584 0.842
119 HA LYS 20 HA LYS 20 1.727 -5.870 2.476
120 HB2 LYS 20 1HB LYS 20 1.937 -2.944 3.135
121 HB3 LYS 20 2HB LYS 20 0.838 -3.995 4.020
122 HG2 LYS 20 1HG LYS 20 3.765 -4.602 3.738
123 HG3 LYS 20 2HG LYS 20 3.119 -3.602 5.042
124 HD2 LYS 20 1HD LYS 20 1.607 -5.492 5.645
125 HD3 LYS 20 2HD LYS 20 2.436 -6.479 4.440
126 HE2 LYS 20 1HE LYS 20 4.033 -5.076 6.534
127 HE3 LYS 20 2HE LYS 20 3.160 -6.547 6.960
128 HZ1 LYS 20 3HZ LYS 20 4.908 -6.492 4.588
129 HZ2 LYS 20 1HZ LYS 20 4.425 -7.815 5.526
130 HZ3 LYS 20 2HZ LYS 20 5.571 -6.725 6.127
131 H GLY 21 H GLY 21 -0.593 -5.749 3.129
132 HA2 GLY 21 1HA GLY 21 -2.213 -4.515 0.987
133 HA3 GLY 21 2HA GLY 21 -2.531 -6.132 1.595
134 H TYR 22 H TYR 22 -3.869 -3.282 1.602
135 HA TYR 22 HA TYR 22 -4.974 -3.613 4.296
136 HB2 TYR 22 1HB TYR 22 -4.039 -0.980 3.135
137 HB3 TYR 22 2HB TYR 22 -4.953 -1.155 4.629
138 HD1 TYR 22 HD1 TYR 22 -3.886 -2.626 6.474
139 HD2 TYR 22 HD2 TYR 22 -1.713 -1.018 3.188
140 HE1 TYR 22 HE1 TYR 22 -1.790 -2.910 7.729
141 HE2 TYR 22 HE2 TYR 22 0.390 -1.298 4.434
142 HH TYR 22 HH TYR 22 1.296 -2.560 6.257
143 H ASN 23 H ASN 23 -7.087 -3.884 4.107
144 HA ASN 23 HA ASN 23 -8.483 -3.091 1.710
145 HB2 ASN 23 1HB ASN 23 -10.421 -4.210 2.734
146 HB3 ASN 23 2HB ASN 23 -8.993 -5.241 2.767
147 HD21 ASN 23 1HD2 ASN 23 -11.544 -4.171 4.527
148 HD22 ASN 23 2HD2 ASN 23 -10.939 -4.458 6.120
149 H SER 24 H SER 24 -7.498 -0.854 2.991
150 HA SER 24 HA SER 24 -9.893 0.673 3.341
151 HB2 SER 24 1HB SER 24 -9.359 -0.442 5.631
152 HB3 SER 24 2HB SER 24 -8.057 0.744 5.719
153 HG SER 24 HG SER 24 -10.423 1.181 6.498
154 H LYS 25 H LYS 25 -9.569 2.791 2.868
155 HA LYS 25 HA LYS 25 -7.041 3.536 1.760
156 HB2 LYS 25 1HB LYS 25 -8.131 5.671 1.248
157 HB3 LYS 25 2HB LYS 25 -9.137 4.311 0.767
158 HG2 LYS 25 1HG LYS 25 -10.452 4.595 2.836
159 HG3 LYS 25 2HG LYS 25 -9.482 6.019 3.222
160 HD2 LYS 25 1HD LYS 25 -10.261 7.151 1.249
161 HD3 LYS 25 2HD LYS 25 -11.099 5.699 0.696
162 HE2 LYS 25 1HE LYS 25 -11.758 6.916 3.350
163 HE3 LYS 25 2HE LYS 25 -12.443 7.585 1.869
164 HZ1 LYS 25 3HZ LYS 25 -13.169 5.215 1.387
165 HZ2 LYS 25 1HZ LYS 25 -14.001 6.037 2.609
166 HZ3 LYS 25 2HZ LYS 25 -12.829 4.886 3.011
167 H PHE 26 H PHE 26 -8.903 4.532 4.609
168 HA PHE 26 HA PHE 26 -7.172 6.539 5.509
169 HB2 PHE 26 1HB PHE 26 -9.376 6.357 6.450
170 HB3 PHE 26 2HB PHE 26 -9.052 4.725 7.026
171 HD1 PHE 26 HD2 PHE 26 -7.674 8.175 7.367
172 HD2 PHE 26 HD1 PHE 26 -8.542 4.455 9.244
173 HE1 PHE 26 HE2 PHE 26 -6.920 9.091 9.522
174 HE2 PHE 26 HE1 PHE 26 -7.791 5.366 11.403
175 HZ PHE 26 HZ PHE 26 -6.977 7.686 11.544
176 H ASN 27 H ASN 27 -7.249 3.068 6.223
177 HA ASN 27 HA ASN 27 -5.196 3.025 8.125
178 HB2 ASN 27 1HB ASN 27 -6.784 1.144 7.590
179 HB3 ASN 27 2HB ASN 27 -5.821 0.822 6.151
180 HD21 ASN 27 1HD2 ASN 27 -5.368 1.341 9.633
181 HD22 ASN 27 2HD2 ASN 27 -4.200 0.084 9.840
182 H LEU 28 H LEU 28 -5.047 2.429 4.617
183 HA LEU 28 HA LEU 28 -2.276 2.036 4.466
184 HB2 LEU 28 1HB LEU 28 -3.839 1.434 2.681
185 HB3 LEU 28 2HB LEU 28 -4.148 3.142 2.376
186 HG LEU 28 HG LEU 28 -1.790 3.411 1.688
187 HD11 LEU 28 1HD1 LEU 28 -1.618 0.410 1.783
188 HD12 LEU 28 2HD1 LEU 28 -0.978 1.454 3.052
189 HD13 LEU 28 3HD1 LEU 28 -0.337 1.564 1.413
190 HD21 LEU 28 3HD2 LEU 28 -3.218 1.223 0.183
191 HD22 LEU 28 1HD2 LEU 28 -2.020 2.346 -0.459
192 HD23 LEU 28 2HD2 LEU 28 -3.597 2.942 0.060
193 H ASP 29 H ASP 29 -4.193 4.970 3.824
194 HA ASP 29 HA ASP 29 -2.210 6.732 3.157
195 HB2 ASP 29 1HB ASP 29 -4.354 7.623 3.040
196 HB3 ASP 29 2HB ASP 29 -4.783 7.066 4.655
197 H MET 30 H MET 30 -3.211 5.793 6.427
198 HA MET 30 HA MET 30 -1.417 7.515 7.781
199 HB2 MET 30 1HB MET 30 -3.087 5.161 8.529
200 HB3 MET 30 2HB MET 30 -1.806 5.647 9.631
201 HG2 MET 30 1HG MET 30 -2.783 7.949 9.612
202 HG3 MET 30 2HG MET 30 -4.141 7.294 8.701
203 HE1 MET 30 3HE MET 30 -2.067 7.357 11.767
204 HE2 MET 30 1HE MET 30 -3.412 8.317 12.385
205 HE3 MET 30 2HE MET 30 -3.072 6.729 13.074
206 H HIS 31 H HIS 31 -1.043 4.446 6.245
207 HA HIS 31 HA HIS 31 1.416 3.788 7.620
208 HB2 HIS 31 1HB HIS 31 0.122 1.907 6.987
209 HB3 HIS 31 2HB HIS 31 -0.106 2.516 5.350
210 HD1 HIS 31 HD1 HIS 31 2.845 1.454 7.516
211 HD2 HIS 31 HD2 HIS 31 1.515 1.283 3.584
212 HE1 HIS 31 HE1 HIS 31 4.591 0.139 6.273
213 H GLN 32 H GLN 32 0.428 5.054 4.479
214 HA GLN 32 HA GLN 32 2.750 4.942 3.042
215 HB2 GLN 32 1HB GLN 32 0.588 7.018 3.175
216 HB3 GLN 32 2HB GLN 32 1.977 7.248 2.121
217 HG2 GLN 32 1HG GLN 32 0.250 4.794 2.027
218 HG3 GLN 32 2HG GLN 32 -0.075 6.237 1.069
219 HE21 GLN 32 1HE2 GLN 32 0.716 3.434 0.372
220 HE22 GLN 32 2HE2 GLN 32 2.088 3.612 -0.663
221 H LYS 33 H LYS 33 1.828 7.533 5.304
222 HA LYS 33 HA LYS 33 4.007 9.179 5.091
223 HB2 LYS 33 1HB LYS 33 3.492 10.008 7.261
224 HB3 LYS 33 2HB LYS 33 1.966 9.520 6.534
225 HG2 LYS 33 1HG LYS 33 2.385 7.282 7.782
226 HG3 LYS 33 2HG LYS 33 3.495 8.247 8.760
227 HD2 LYS 33 1HD LYS 33 0.707 9.212 8.264
228 HD3 LYS 33 2HD LYS 33 1.012 7.989 9.499
229 HE2 LYS 33 1HE LYS 33 2.674 9.510 10.527
230 HE3 LYS 33 2HE LYS 33 2.244 10.738 9.338
231 HZ1 LYS 33 3HZ LYS 33 1.114 10.978 11.519
232 HZ2 LYS 33 1HZ LYS 33 0.304 9.522 11.225
233 HZ3 LYS 33 2HZ LYS 33 0.049 10.852 10.211
234 H VAL 34 H VAL 34 3.788 6.091 6.730
235 HA VAL 34 HA VAL 34 6.019 6.107 8.336
236 HB VAL 34 HB VAL 34 5.137 3.778 6.627
237 HG11 VAL 34 1HG1 VAL 34 6.004 2.567 8.763
238 HG12 VAL 34 2HG1 VAL 34 7.152 3.111 7.538
239 HG13 VAL 34 3HG1 VAL 34 6.918 4.054 9.010
240 HG21 VAL 34 3HG2 VAL 34 4.264 3.867 9.416
241 HG22 VAL 34 1HG2 VAL 34 3.576 5.142 8.410
242 HG23 VAL 34 2HG2 VAL 34 3.364 3.450 7.958
243 H HIS 35 H HIS 35 5.852 5.494 4.853
244 HA HIS 35 HA HIS 35 8.640 4.942 4.579
245 HB2 HIS 35 1HB HIS 35 6.669 5.780 2.443
246 HB3 HIS 35 2HB HIS 35 8.227 4.999 2.184
247 HD1 HIS 35 HD1 HIS 35 8.136 2.656 4.050
248 HD2 HIS 35 HD2 HIS 35 4.835 3.889 1.849
249 HE1 HIS 35 HE1 HIS 35 6.644 0.638 3.889
250 H THR 36 H THR 36 9.397 6.833 5.803
251 HA THR 36 HA THR 36 9.935 9.052 3.983
252 HB THR 36 HB THR 36 9.604 10.587 6.093
253 HG1 THR 36 HG1 THR 36 8.273 8.228 6.740
254 HG21 THR 36 3HG2 THR 36 8.035 9.935 3.829
255 HG22 THR 36 1HG2 THR 36 8.039 11.436 4.755
256 HG23 THR 36 2HG2 THR 36 6.933 10.133 5.191
257 H GLY 37 H GLY 37 11.988 9.751 4.112
258 HA2 GLY 37 1HA GLY 37 13.540 9.056 6.522
259 HA3 GLY 37 2HA GLY 37 14.158 8.673 4.922
260 H GLU 38 H GLU 38 12.543 11.570 6.215
261 HA GLU 38 HA GLU 38 14.824 13.147 5.230
262 HB2 GLU 38 1HB GLU 38 13.254 15.052 5.144
263 HB3 GLU 38 2HB GLU 38 12.747 13.718 4.118
264 HG2 GLU 38 1HG GLU 38 11.048 13.076 5.634
265 HG3 GLU 38 2HG GLU 38 11.671 14.147 6.888
266 H ARG 39 H ARG 39 15.159 11.931 7.661
267 HA ARG 39 HA ARG 39 14.691 14.061 9.634
268 HB2 ARG 39 1HB ARG 39 15.185 12.318 11.333
269 HB3 ARG 39 2HB ARG 39 13.792 11.933 10.331
270 HG2 ARG 39 1HG ARG 39 15.366 10.529 8.927
271 HG3 ARG 39 2HG ARG 39 16.541 10.736 10.228
272 HD2 ARG 39 1HD ARG 39 13.803 9.826 10.942
273 HD3 ARG 39 2HD ARG 39 14.879 8.674 10.152
274 HE ARG 39 HE ARG 39 16.365 9.750 12.184
275 HH11 ARG 39 1HH1 ARG 39 13.323 8.074 11.947
276 HH12 ARG 39 2HH1 ARG 39 13.448 7.355 13.518
277 HH21 ARG 39 1HH2 ARG 39 16.542 8.808 14.254
278 HH22 ARG 39 2HH2 ARG 39 15.279 7.774 14.830
279 HA PRO 40 HA PRO 40 18.970 15.093 9.618
280 HB2 PRO 40 1HB PRO 40 19.158 16.195 12.092
281 HB3 PRO 40 2HB PRO 40 18.359 17.003 10.739
282 HG2 PRO 40 1HG PRO 40 17.154 15.450 12.997
283 HG3 PRO 40 2HG PRO 40 16.620 16.984 12.284
284 HD2 PRO 40 1HD PRO 40 15.459 14.613 11.678
285 HD3 PRO 40 2HD PRO 40 15.585 15.942 10.507
286 H SER 41 H SER 41 20.912 14.255 10.255
287 HA SER 41 HA SER 41 20.812 12.101 12.262
288 HB2 SER 41 1HB SER 41 22.801 11.168 11.039
289 HB3 SER 41 2HB SER 41 21.315 11.194 10.090
290 HG SER 41 HG SER 41 23.576 12.173 9.357
291 H GLY 42 H GLY 42 21.183 13.736 13.912
292 HA2 GLY 42 1HA GLY 42 23.743 15.108 13.889
293 HA3 GLY 42 2HA GLY 42 22.508 15.220 15.135
294 HA PRO 43 HA PRO 43 26.087 12.205 16.193
295 HB2 PRO 43 1HB PRO 43 27.700 13.864 17.612
296 HB3 PRO 43 2HB PRO 43 27.888 13.596 15.875
297 HG2 PRO 43 1HG PRO 43 26.558 15.862 17.308
298 HG3 PRO 43 2HG PRO 43 27.638 15.907 15.903
299 HD2 PRO 43 1HD PRO 43 24.947 16.108 15.679
300 HD3 PRO 43 2HD PRO 43 25.955 15.344 14.433
301 H SER 44 H SER 44 25.641 11.038 17.950
302 HA SER 44 HA SER 44 23.905 12.032 19.986
303 HB2 SER 44 1HB SER 44 24.132 9.610 19.079
304 HB3 SER 44 2HB SER 44 25.469 9.473 20.220
305 HG SER 44 HG SER 44 23.085 10.526 21.190
306 H SER 45 H SER 45 24.497 11.551 22.361
307 HA SER 45 HA SER 45 26.540 13.308 23.130
308 HB2 SER 45 1HB SER 45 24.651 12.841 24.593
309 HB3 SER 45 2HB SER 45 25.144 11.154 24.735
310 HG SER 45 HG SER 45 26.550 13.436 25.665
311 H GLY 46 H GLY 46 28.632 13.036 23.752
312 HA2 GLY 46 1HA GLY 46 29.722 10.346 24.031
313 HA3 GLY 46 2HA GLY 46 30.345 11.302 22.694
Start of MODEL 12
1 H1 GLY 1 H GLY 1 8.385 -11.768 11.669
2 HA2 GLY 1 1HA GLY 1 8.710 -12.140 9.426
3 HA3 GLY 1 2HA GLY 1 8.733 -13.843 9.858
4 H SER 2 H SER 2 7.090 -11.417 8.190
5 HA SER 2 HA SER 2 4.577 -12.911 8.098
6 HB2 SER 2 1HB SER 2 5.403 -10.141 7.310
7 HB3 SER 2 2HB SER 2 3.975 -10.860 6.566
8 HG SER 2 HG SER 2 3.129 -11.169 8.662
9 H SER 3 H SER 3 5.297 -14.709 6.899
10 HA SER 3 HA SER 3 5.623 -14.144 4.033
11 HB2 SER 3 1HB SER 3 7.231 -16.022 3.868
12 HB3 SER 3 2HB SER 3 7.832 -14.723 4.898
13 HG SER 3 HG SER 3 6.941 -17.288 5.593
14 H GLY 4 H GLY 4 3.733 -14.816 3.219
15 HA2 GLY 4 1HA GLY 4 3.080 -17.479 2.894
16 HA3 GLY 4 2HA GLY 4 2.209 -16.956 4.328
17 H SER 5 H SER 5 2.052 -17.262 1.024
18 HA SER 5 HA SER 5 0.481 -14.978 0.366
19 HB2 SER 5 1HB SER 5 0.934 -17.625 -1.015
20 HB3 SER 5 2HB SER 5 -0.105 -16.369 -1.687
21 HG SER 5 HG SER 5 2.460 -16.565 -1.995
22 H SER 6 H SER 6 -1.427 -14.624 1.292
23 HA SER 6 HA SER 6 -3.229 -16.908 1.733
24 HB2 SER 6 1HB SER 6 -3.230 -14.177 3.041
25 HB3 SER 6 2HB SER 6 -4.372 -15.475 3.387
26 HG SER 6 HG SER 6 -1.578 -15.818 3.647
27 H GLY 7 H GLY 7 -4.103 -16.983 -0.350
28 HA2 GLY 7 1HA GLY 7 -5.214 -14.656 -1.607
29 HA3 GLY 7 2HA GLY 7 -5.401 -16.320 -2.141
30 H THR 8 H THR 8 -6.311 -14.723 0.902
31 HA THR 8 HA THR 8 -9.052 -15.707 0.480
32 HB THR 8 HB THR 8 -7.642 -14.967 3.051
33 HG1 THR 8 HG1 THR 8 -7.231 -17.039 3.170
34 HG21 THR 8 3HG2 THR 8 -9.696 -15.886 4.134
35 HG22 THR 8 1HG2 THR 8 -10.466 -15.907 2.548
36 HG23 THR 8 2HG2 THR 8 -9.962 -14.375 3.263
37 H GLY 9 H GLY 9 -9.974 -14.036 -0.657
38 HA2 GLY 9 1HA GLY 9 -11.155 -12.065 -0.837
39 HA3 GLY 9 2HA GLY 9 -10.790 -11.754 0.854
40 H GLU 10 H GLU 10 -9.473 -11.556 -2.421
41 HA GLU 10 HA GLU 10 -7.096 -10.314 -2.084
42 HB2 GLU 10 1HB GLU 10 -7.446 -9.181 -4.206
43 HB3 GLU 10 2HB GLU 10 -8.094 -10.813 -4.280
44 HG2 GLU 10 1HG GLU 10 -10.350 -9.887 -3.858
45 HG3 GLU 10 2HG GLU 10 -9.659 -8.267 -3.935
46 H LYS 11 H LYS 11 -6.472 -8.009 -2.269
47 HA LYS 11 HA LYS 11 -8.171 -6.372 -0.517
48 HB2 LYS 11 1HB LYS 11 -6.062 -5.045 -0.156
49 HB3 LYS 11 2HB LYS 11 -6.013 -6.700 0.440
50 HG2 LYS 11 1HG LYS 11 -4.811 -7.354 -1.628
51 HG3 LYS 11 2HG LYS 11 -4.765 -5.651 -2.091
52 HD2 LYS 11 1HD LYS 11 -3.440 -5.100 -0.172
53 HD3 LYS 11 2HD LYS 11 -3.633 -6.726 0.489
54 HE2 LYS 11 1HE LYS 11 -2.413 -6.362 -2.213
55 HE3 LYS 11 2HE LYS 11 -1.442 -6.059 -0.773
56 HZ1 LYS 11 3HZ LYS 11 -1.271 -8.227 -0.357
57 HZ2 LYS 11 1HZ LYS 11 -1.813 -8.474 -1.941
58 HZ3 LYS 11 2HZ LYS 11 -2.909 -8.524 -0.654
59 HA PRO 12 HA PRO 12 -9.074 -3.619 -3.835
60 HB2 PRO 12 1HB PRO 12 -9.694 -1.406 -2.388
61 HB3 PRO 12 2HB PRO 12 -10.762 -2.810 -2.503
62 HG2 PRO 12 1HG PRO 12 -8.857 -2.052 -0.322
63 HG3 PRO 12 2HG PRO 12 -10.511 -2.679 -0.195
64 HD2 PRO 12 1HD PRO 12 -8.329 -4.246 0.147
65 HD3 PRO 12 2HD PRO 12 -9.846 -4.858 -0.543
66 H TYR 13 H TYR 13 -7.101 -2.225 -1.209
67 HA TYR 13 HA TYR 13 -5.693 -0.580 -3.182
68 HB2 TYR 13 1HB TYR 13 -5.556 -0.485 -0.162
69 HB3 TYR 13 2HB TYR 13 -4.827 0.669 -1.272
70 HD1 TYR 13 HD2 TYR 13 -6.474 1.894 -2.883
71 HD2 TYR 13 HD1 TYR 13 -7.668 -0.063 0.702
72 HE1 TYR 13 HE2 TYR 13 -8.532 3.239 -2.842
73 HE2 TYR 13 HE1 TYR 13 -9.730 1.277 0.752
74 HH TYR 13 HH TYR 13 -11.153 2.542 -1.276
75 H LYS 14 H LYS 14 -3.302 -0.317 -2.813
76 HA LYS 14 HA LYS 14 -1.933 -2.583 -1.644
77 HB2 LYS 14 1HB LYS 14 -1.930 -2.070 -4.618
78 HB3 LYS 14 2HB LYS 14 -0.698 -3.032 -3.812
79 HG2 LYS 14 1HG LYS 14 -2.527 -4.515 -2.970
80 HG3 LYS 14 2HG LYS 14 -3.641 -3.620 -4.006
81 HD2 LYS 14 1HD LYS 14 -1.151 -4.745 -5.200
82 HD3 LYS 14 2HD LYS 14 -2.493 -5.835 -4.844
83 HE2 LYS 14 1HE LYS 14 -2.858 -3.294 -6.408
84 HE3 LYS 14 2HE LYS 14 -2.404 -4.814 -7.179
85 HZ1 LYS 14 3HZ LYS 14 -4.673 -4.994 -5.398
86 HZ2 LYS 14 1HZ LYS 14 -4.459 -5.634 -6.949
87 HZ3 LYS 14 2HZ LYS 14 -4.930 -4.021 -6.758
88 H CYS 15 H CYS 15 0.416 -2.318 -1.663
89 HA CYS 15 HA CYS 15 1.190 0.517 -1.899
90 HB2 CYS 15 1HB CYS 15 1.075 -0.388 0.442
91 HB3 CYS 15 2HB CYS 15 2.359 -1.513 0.011
92 H GLU 16 H GLU 16 3.422 0.942 -2.445
93 HA GLU 16 HA GLU 16 4.626 -1.229 -4.033
94 HB2 GLU 16 1HB GLU 16 4.245 1.673 -4.606
95 HB3 GLU 16 2HB GLU 16 5.685 0.885 -5.235
96 HG2 GLU 16 1HG GLU 16 4.383 -0.666 -6.487
97 HG3 GLU 16 2HG GLU 16 2.895 -0.123 -5.714
98 H LYS 17 H LYS 17 5.203 1.484 -1.878
99 HA LYS 17 HA LYS 17 7.978 1.540 -1.867
100 HB2 LYS 17 1HB LYS 17 5.852 2.293 0.070
101 HB3 LYS 17 2HB LYS 17 7.492 2.161 0.692
102 HG2 LYS 17 1HG LYS 17 8.271 3.899 -0.635
103 HG3 LYS 17 2HG LYS 17 6.914 3.779 -1.758
104 HD2 LYS 17 1HD LYS 17 6.324 4.447 1.078
105 HD3 LYS 17 2HD LYS 17 7.058 5.696 0.069
106 HE2 LYS 17 1HE LYS 17 4.805 6.083 -0.254
107 HE3 LYS 17 2HE LYS 17 5.197 5.046 -1.625
108 HZ1 LYS 17 3HZ LYS 17 3.145 4.580 -0.053
109 HZ2 LYS 17 1HZ LYS 17 4.316 3.737 0.830
110 HZ3 LYS 17 2HZ LYS 17 4.015 3.326 -0.782
111 H CYS 18 H CYS 18 5.761 -0.524 -0.043
112 HA CYS 18 HA CYS 18 8.069 -2.197 0.704
113 HB2 CYS 18 1HB CYS 18 6.947 -2.761 2.793
114 HB3 CYS 18 2HB CYS 18 7.151 -1.017 2.668
115 H GLY 19 H GLY 19 4.597 -2.124 -0.004
116 HA2 GLY 19 1HA GLY 19 3.654 -3.675 -1.581
117 HA3 GLY 19 2HA GLY 19 4.861 -4.851 -1.082
118 H LYS 20 H LYS 20 3.036 -2.905 1.184
119 HA LYS 20 HA LYS 20 1.927 -5.349 2.327
120 HB2 LYS 20 1HB LYS 20 2.293 -2.541 3.308
121 HB3 LYS 20 2HB LYS 20 1.132 -3.598 4.101
122 HG2 LYS 20 1HG LYS 20 2.977 -5.245 4.436
123 HG3 LYS 20 2HG LYS 20 4.097 -4.026 3.821
124 HD2 LYS 20 1HD LYS 20 4.263 -3.609 6.063
125 HD3 LYS 20 2HD LYS 20 2.923 -2.533 5.659
126 HE2 LYS 20 1HE LYS 20 2.161 -3.649 7.551
127 HE3 LYS 20 2HE LYS 20 1.422 -4.548 6.227
128 HZ1 LYS 20 3HZ LYS 20 2.374 -6.365 7.020
129 HZ2 LYS 20 1HZ LYS 20 3.166 -5.485 8.228
130 HZ3 LYS 20 2HZ LYS 20 3.901 -5.703 6.721
131 H GLY 21 H GLY 21 -0.310 -5.547 2.868
132 HA2 GLY 21 1HA GLY 21 -2.036 -4.066 0.994
133 HA3 GLY 21 2HA GLY 21 -2.374 -5.670 1.627
134 H TYR 22 H TYR 22 -4.211 -3.535 1.671
135 HA TYR 22 HA TYR 22 -4.738 -3.437 4.522
136 HB2 TYR 22 1HB TYR 22 -4.390 -0.940 2.857
137 HB3 TYR 22 2HB TYR 22 -5.182 -0.961 4.429
138 HD1 TYR 22 HD2 TYR 22 -1.975 -1.344 2.673
139 HD2 TYR 22 HD1 TYR 22 -3.907 -1.173 6.460
140 HE1 TYR 22 HE2 TYR 22 0.210 -1.079 3.769
141 HE2 TYR 22 HE1 TYR 22 -1.727 -0.907 7.567
142 HH TYR 22 HH TYR 22 1.159 -1.571 6.126
143 H ASN 23 H ASN 23 -6.896 -3.293 5.011
144 HA ASN 23 HA ASN 23 -8.719 -3.759 2.813
145 HB2 ASN 23 1HB ASN 23 -8.837 -5.106 4.892
146 HB3 ASN 23 2HB ASN 23 -9.272 -3.652 5.787
147 HD21 ASN 23 1HD2 ASN 23 -11.310 -2.769 5.540
148 HD22 ASN 23 2HD2 ASN 23 -12.607 -3.630 4.789
149 H SER 24 H SER 24 -8.227 -1.332 5.339
150 HA SER 24 HA SER 24 -10.415 0.288 4.318
151 HB2 SER 24 1HB SER 24 -10.278 0.283 6.688
152 HB3 SER 24 2HB SER 24 -8.539 0.575 6.664
153 HG SER 24 HG SER 24 -10.589 2.352 6.589
154 H LYS 25 H LYS 25 -10.161 2.422 3.547
155 HA LYS 25 HA LYS 25 -7.821 2.781 1.915
156 HB2 LYS 25 1HB LYS 25 -8.965 4.651 0.965
157 HB3 LYS 25 2HB LYS 25 -10.154 3.377 1.200
158 HG2 LYS 25 1HG LYS 25 -11.332 5.142 2.005
159 HG3 LYS 25 2HG LYS 25 -10.527 4.636 3.492
160 HD2 LYS 25 1HD LYS 25 -9.070 6.416 3.468
161 HD3 LYS 25 2HD LYS 25 -9.171 6.612 1.717
162 HE2 LYS 25 1HE LYS 25 -11.331 7.612 1.882
163 HE3 LYS 25 2HE LYS 25 -11.451 7.207 3.594
164 HZ1 LYS 25 3HZ LYS 25 -9.440 8.676 3.895
165 HZ2 LYS 25 1HZ LYS 25 -10.883 9.466 3.504
166 HZ3 LYS 25 2HZ LYS 25 -9.703 9.226 2.317
167 H PHE 26 H PHE 26 -9.129 4.192 4.853
168 HA PHE 26 HA PHE 26 -7.366 6.399 5.002
169 HB2 PHE 26 1HB PHE 26 -9.295 6.538 6.347
170 HB3 PHE 26 2HB PHE 26 -9.035 4.939 7.036
171 HD1 PHE 26 HD1 PHE 26 -7.302 4.594 8.746
172 HD2 PHE 26 HD2 PHE 26 -8.245 8.469 7.257
173 HE1 PHE 26 HE1 PHE 26 -6.158 5.610 10.673
174 HE2 PHE 26 HE2 PHE 26 -7.101 9.490 9.181
175 HZ PHE 26 HZ PHE 26 -6.055 8.061 10.892
176 H ASN 27 H ASN 27 -7.143 3.064 6.074
177 HA ASN 27 HA ASN 27 -4.907 3.303 7.749
178 HB2 ASN 27 1HB ASN 27 -6.133 1.050 6.201
179 HB3 ASN 27 2HB ASN 27 -4.569 0.815 6.976
180 HD21 ASN 27 1HD2 ASN 27 -4.825 -0.257 8.788
181 HD22 ASN 27 2HD2 ASN 27 -6.065 0.005 9.962
182 H LEU 28 H LEU 28 -5.076 2.354 4.317
183 HA LEU 28 HA LEU 28 -2.390 2.027 3.808
184 HB2 LEU 28 1HB LEU 28 -4.142 1.503 2.200
185 HB3 LEU 28 2HB LEU 28 -4.482 3.220 1.994
186 HG LEU 28 HG LEU 28 -1.988 3.329 1.222
187 HD11 LEU 28 1HD1 LEU 28 -1.362 1.240 0.006
188 HD12 LEU 28 2HD1 LEU 28 -2.664 0.416 0.863
189 HD13 LEU 28 3HD1 LEU 28 -1.314 1.105 1.764
190 HD21 LEU 28 3HD2 LEU 28 -3.118 2.182 -1.040
191 HD22 LEU 28 1HD2 LEU 28 -3.171 3.884 -0.579
192 HD23 LEU 28 2HD2 LEU 28 -4.493 2.807 -0.128
193 H ASP 29 H ASP 29 -4.254 5.028 3.304
194 HA ASP 29 HA ASP 29 -2.296 6.733 2.502
195 HB2 ASP 29 1HB ASP 29 -4.828 7.136 3.087
196 HB3 ASP 29 2HB ASP 29 -4.175 7.690 4.627
197 H MET 30 H MET 30 -3.208 6.354 5.934
198 HA MET 30 HA MET 30 -1.082 7.795 7.001
199 HB2 MET 30 1HB MET 30 -2.532 5.446 8.236
200 HB3 MET 30 2HB MET 30 -1.554 6.618 9.109
201 HG2 MET 30 1HG MET 30 -3.981 7.376 7.511
202 HG3 MET 30 2HG MET 30 -4.042 6.946 9.218
203 HE1 MET 30 3HE MET 30 -2.249 9.606 11.069
204 HE2 MET 30 1HE MET 30 -3.979 9.263 11.034
205 HE3 MET 30 2HE MET 30 -2.816 7.938 10.970
206 H HIS 31 H HIS 31 -1.332 4.332 6.288
207 HA HIS 31 HA HIS 31 1.028 3.424 7.382
208 HB2 HIS 31 1HB HIS 31 -0.280 1.721 6.527
209 HB3 HIS 31 2HB HIS 31 -0.608 2.583 5.026
210 HD1 HIS 31 HD1 HIS 31 2.637 1.363 6.615
211 HD2 HIS 31 HD2 HIS 31 0.539 1.178 3.034
212 HE1 HIS 31 HE1 HIS 31 4.100 0.051 5.046
213 H GLN 32 H GLN 32 0.535 4.806 4.144
214 HA GLN 32 HA GLN 32 3.002 4.537 3.034
215 HB2 GLN 32 1HB GLN 32 1.254 7.001 2.942
216 HB3 GLN 32 2HB GLN 32 2.580 6.665 1.836
217 HG2 GLN 32 1HG GLN 32 1.371 4.565 1.185
218 HG3 GLN 32 2HG GLN 32 -0.001 5.155 2.122
219 HE21 GLN 32 1HE2 GLN 32 -0.548 4.685 -0.388
220 HE22 GLN 32 2HE2 GLN 32 -0.653 6.135 -1.323
221 H LYS 33 H LYS 33 2.015 7.207 5.175
222 HA LYS 33 HA LYS 33 4.314 8.675 5.269
223 HB2 LYS 33 1HB LYS 33 2.247 8.048 7.345
224 HB3 LYS 33 2HB LYS 33 3.657 9.002 7.785
225 HG2 LYS 33 1HG LYS 33 2.993 10.424 5.704
226 HG3 LYS 33 2HG LYS 33 1.414 9.674 5.941
227 HD2 LYS 33 1HD LYS 33 2.848 10.955 8.237
228 HD3 LYS 33 2HD LYS 33 1.929 11.939 7.096
229 HE2 LYS 33 1HE LYS 33 0.787 9.558 8.545
230 HE3 LYS 33 2HE LYS 33 0.673 11.210 9.148
231 HZ1 LYS 33 3HZ LYS 33 -0.514 10.094 6.674
232 HZ2 LYS 33 1HZ LYS 33 -0.401 11.758 6.959
233 HZ3 LYS 33 2HZ LYS 33 -1.315 10.784 7.995
234 H VAL 34 H VAL 34 3.645 5.649 6.948
235 HA VAL 34 HA VAL 34 5.652 5.442 8.759
236 HB VAL 34 HB VAL 34 4.820 3.263 6.838
237 HG11 VAL 34 1HG1 VAL 34 5.846 1.705 8.190
238 HG12 VAL 34 2HG1 VAL 34 6.990 3.047 8.276
239 HG13 VAL 34 3HG1 VAL 34 5.851 2.770 9.595
240 HG21 VAL 34 3HG2 VAL 34 3.117 4.526 8.400
241 HG22 VAL 34 1HG2 VAL 34 3.053 2.774 8.212
242 HG23 VAL 34 2HG2 VAL 34 3.819 3.481 9.635
243 H HIS 35 H HIS 35 5.954 4.951 5.264
244 HA HIS 35 HA HIS 35 8.727 4.271 5.371
245 HB2 HIS 35 1HB HIS 35 7.282 5.319 2.943
246 HB3 HIS 35 2HB HIS 35 8.657 4.221 3.004
247 HD1 HIS 35 HD1 HIS 35 8.035 1.802 4.181
248 HD2 HIS 35 HD2 HIS 35 4.909 4.059 2.632
249 HE1 HIS 35 HE1 HIS 35 6.125 0.192 3.886
250 H THR 36 H THR 36 9.712 5.937 6.554
251 HA THR 36 HA THR 36 9.860 8.532 5.163
252 HB THR 36 HB THR 36 10.429 9.567 7.292
253 HG1 THR 36 HG1 THR 36 10.168 8.162 9.213
254 HG21 THR 36 3HG2 THR 36 8.294 9.622 8.179
255 HG22 THR 36 1HG2 THR 36 8.036 7.894 7.940
256 HG23 THR 36 2HG2 THR 36 7.986 8.993 6.561
257 H GLY 37 H GLY 37 11.456 6.350 4.364
258 HA2 GLY 37 1HA GLY 37 14.060 7.550 4.627
259 HA3 GLY 37 2HA GLY 37 13.933 5.996 5.438
260 H GLU 38 H GLU 38 14.518 7.574 2.512
261 HA GLU 38 HA GLU 38 13.758 5.458 0.740
262 HB2 GLU 38 1HB GLU 38 15.020 6.734 -0.957
263 HB3 GLU 38 2HB GLU 38 13.870 7.736 -0.083
264 HG2 GLU 38 1HG GLU 38 15.683 9.110 -0.092
265 HG3 GLU 38 2HG GLU 38 15.948 8.255 1.427
266 H ARG 39 H ARG 39 15.104 4.007 -0.360
267 HA ARG 39 HA ARG 39 17.761 3.606 0.849
268 HB2 ARG 39 1HB ARG 39 15.818 1.941 1.412
269 HB3 ARG 39 2HB ARG 39 16.148 1.309 -0.195
270 HG2 ARG 39 1HG ARG 39 18.383 0.743 0.403
271 HG3 ARG 39 2HG ARG 39 18.243 1.593 1.943
272 HD2 ARG 39 1HD ARG 39 16.260 -0.057 2.342
273 HD3 ARG 39 2HD ARG 39 17.058 -1.015 1.095
274 HE ARG 39 HE ARG 39 19.010 -0.341 2.933
275 HH11 ARG 39 1HH1 ARG 39 16.018 -2.121 2.911
276 HH12 ARG 39 2HH1 ARG 39 16.501 -3.202 4.176
277 HH21 ARG 39 1HH2 ARG 39 19.657 -1.758 4.599
278 HH22 ARG 39 2HH2 ARG 39 18.570 -2.994 5.137
279 HA PRO 40 HA PRO 40 19.301 3.832 -3.274
280 HB2 PRO 40 1HB PRO 40 21.705 2.636 -2.870
281 HB3 PRO 40 2HB PRO 40 21.343 4.276 -2.319
282 HG2 PRO 40 1HG PRO 40 21.326 1.712 -0.774
283 HG3 PRO 40 2HG PRO 40 21.962 3.299 -0.302
284 HD2 PRO 40 1HD PRO 40 19.562 2.380 0.549
285 HD3 PRO 40 2HD PRO 40 19.880 4.104 0.270
286 H SER 41 H SER 41 20.934 2.077 -4.542
287 HA SER 41 HA SER 41 20.581 0.339 -6.025
288 HB2 SER 41 1HB SER 41 20.921 -0.777 -3.273
289 HB3 SER 41 2HB SER 41 20.568 -1.890 -4.594
290 HG SER 41 HG SER 41 22.395 -0.988 -5.690
291 H GLY 42 H GLY 42 18.153 1.589 -5.646
292 HA2 GLY 42 1HA GLY 42 16.263 -0.664 -5.373
293 HA3 GLY 42 2HA GLY 42 15.851 1.016 -5.063
294 HA PRO 43 HA PRO 43 15.246 -0.377 -9.637
295 HB2 PRO 43 1HB PRO 43 12.721 -1.372 -9.562
296 HB3 PRO 43 2HB PRO 43 14.158 -2.382 -9.364
297 HG2 PRO 43 1HG PRO 43 12.331 -1.256 -7.276
298 HG3 PRO 43 2HG PRO 43 13.037 -2.879 -7.388
299 HD2 PRO 43 1HD PRO 43 14.043 -0.961 -5.763
300 HD3 PRO 43 2HD PRO 43 15.065 -2.193 -6.532
301 H SER 44 H SER 44 12.638 0.674 -7.440
302 HA SER 44 HA SER 44 11.643 2.545 -9.417
303 HB2 SER 44 1HB SER 44 10.752 1.957 -6.584
304 HB3 SER 44 2HB SER 44 9.936 3.075 -7.677
305 HG SER 44 HG SER 44 9.329 0.647 -7.488
306 H SER 45 H SER 45 11.890 4.717 -9.407
307 HA SER 45 HA SER 45 13.620 5.846 -7.305
308 HB2 SER 45 1HB SER 45 14.190 7.574 -9.100
309 HB3 SER 45 2HB SER 45 14.820 5.946 -9.351
310 HG SER 45 HG SER 45 13.838 6.057 -11.199
311 H GLY 46 H GLY 46 12.716 7.299 -6.014
312 HA2 GLY 46 1HA GLY 46 11.568 9.389 -5.708
313 HA3 GLY 46 2HA GLY 46 10.548 8.983 -7.079
Start of MODEL 13
1 H1 GLY 1 H GLY 1 8.074 -14.752 -2.957
2 HA2 GLY 1 1HA GLY 1 7.692 -15.081 -5.867
3 HA3 GLY 1 2HA GLY 1 7.788 -16.410 -4.720
4 H SER 2 H SER 2 5.878 -17.386 -4.659
5 HA SER 2 HA SER 2 3.428 -15.919 -5.092
6 HB2 SER 2 1HB SER 2 2.339 -18.116 -4.941
7 HB3 SER 2 2HB SER 2 3.714 -18.172 -6.043
8 HG SER 2 HG SER 2 4.195 -18.794 -3.373
9 H SER 3 H SER 3 3.019 -14.594 -3.381
10 HA SER 3 HA SER 3 3.335 -15.407 -0.663
11 HB2 SER 3 1HB SER 3 2.064 -13.025 -1.998
12 HB3 SER 3 2HB SER 3 1.948 -13.267 -0.255
13 HG SER 3 HG SER 3 4.018 -12.828 -0.041
14 H GLY 4 H GLY 4 0.462 -14.767 -2.680
15 HA2 GLY 4 1HA GLY 4 -1.585 -15.294 -1.002
16 HA3 GLY 4 2HA GLY 4 -1.587 -15.847 -2.671
17 H SER 5 H SER 5 -2.016 -16.836 0.414
18 HA SER 5 HA SER 5 -0.735 -19.424 0.205
19 HB2 SER 5 1HB SER 5 -0.900 -18.259 2.386
20 HB3 SER 5 2HB SER 5 -2.657 -18.385 2.302
21 HG SER 5 HG SER 5 -1.060 -20.690 2.076
22 H SER 6 H SER 6 -1.611 -20.850 -1.150
23 HA SER 6 HA SER 6 -3.135 -22.116 -2.277
24 HB2 SER 6 1HB SER 6 -4.602 -21.825 0.355
25 HB3 SER 6 2HB SER 6 -5.016 -22.992 -0.900
26 HG SER 6 HG SER 6 -2.557 -23.464 -0.580
27 H GLY 7 H GLY 7 -3.285 -19.406 -2.894
28 HA2 GLY 7 1HA GLY 7 -4.641 -17.921 -4.000
29 HA3 GLY 7 2HA GLY 7 -5.773 -19.253 -4.188
30 H THR 8 H THR 8 -4.779 -16.614 -2.085
31 HA THR 8 HA THR 8 -7.432 -15.970 -1.372
32 HB THR 8 HB THR 8 -7.073 -18.063 0.016
33 HG1 THR 8 HG1 THR 8 -8.553 -16.240 0.515
34 HG21 THR 8 3HG2 THR 8 -5.523 -18.173 1.682
35 HG22 THR 8 1HG2 THR 8 -5.541 -16.433 1.964
36 HG23 THR 8 2HG2 THR 8 -4.652 -17.094 0.592
37 H GLY 9 H GLY 9 -7.574 -14.072 -0.087
38 HA2 GLY 9 1HA GLY 9 -6.581 -12.342 1.241
39 HA3 GLY 9 2HA GLY 9 -5.011 -12.802 0.600
40 H GLU 10 H GLU 10 -8.164 -11.591 -0.540
41 HA GLU 10 HA GLU 10 -6.754 -10.069 -2.615
42 HB2 GLU 10 1HB GLU 10 -8.836 -11.641 -2.994
43 HB3 GLU 10 2HB GLU 10 -9.735 -10.229 -2.458
44 HG2 GLU 10 1HG GLU 10 -8.254 -9.015 -4.260
45 HG3 GLU 10 2HG GLU 10 -8.144 -10.641 -4.931
46 H LYS 11 H LYS 11 -6.444 -7.962 -2.380
47 HA LYS 11 HA LYS 11 -8.317 -6.405 -0.747
48 HB2 LYS 11 1HB LYS 11 -6.299 -5.155 0.173
49 HB3 LYS 11 2HB LYS 11 -6.578 -6.771 0.809
50 HG2 LYS 11 1HG LYS 11 -4.747 -6.442 -1.513
51 HG3 LYS 11 2HG LYS 11 -4.182 -5.992 0.097
52 HD2 LYS 11 1HD LYS 11 -5.501 -8.641 -0.339
53 HD3 LYS 11 2HD LYS 11 -3.806 -8.417 -0.779
54 HE2 LYS 11 1HE LYS 11 -3.236 -7.819 1.466
55 HE3 LYS 11 2HE LYS 11 -4.933 -7.767 1.939
56 HZ1 LYS 11 3HZ LYS 11 -4.976 -10.204 1.301
57 HZ2 LYS 11 1HZ LYS 11 -4.139 -9.805 2.716
58 HZ3 LYS 11 2HZ LYS 11 -3.286 -10.136 1.294
59 HA PRO 12 HA PRO 12 -8.103 -3.729 -4.258
60 HB2 PRO 12 1HB PRO 12 -9.358 -1.589 -3.154
61 HB3 PRO 12 2HB PRO 12 -10.216 -3.048 -3.664
62 HG2 PRO 12 1HG PRO 12 -9.325 -2.233 -0.924
63 HG3 PRO 12 2HG PRO 12 -10.863 -2.955 -1.432
64 HD2 PRO 12 1HD PRO 12 -8.880 -4.404 -0.291
65 HD3 PRO 12 2HD PRO 12 -9.985 -5.085 -1.502
66 H TYR 13 H TYR 13 -6.767 -2.973 -1.144
67 HA TYR 13 HA TYR 13 -5.181 -0.794 -2.330
68 HB2 TYR 13 1HB TYR 13 -5.676 -1.368 0.599
69 HB3 TYR 13 2HB TYR 13 -4.823 0.022 -0.063
70 HD1 TYR 13 HD2 TYR 13 -6.041 1.841 -1.126
71 HD2 TYR 13 HD1 TYR 13 -8.097 -1.511 0.500
72 HE1 TYR 13 HE2 TYR 13 -8.156 3.092 -1.237
73 HE2 TYR 13 HE1 TYR 13 -10.218 -0.269 0.392
74 HH TYR 13 HH TYR 13 -11.222 1.611 -0.224
75 H LYS 14 H LYS 14 -3.155 -1.265 -2.819
76 HA LYS 14 HA LYS 14 -1.692 -3.186 -1.143
77 HB2 LYS 14 1HB LYS 14 -1.810 -3.127 -4.159
78 HB3 LYS 14 2HB LYS 14 -0.572 -3.996 -3.262
79 HG2 LYS 14 1HG LYS 14 -2.033 -5.598 -2.524
80 HG3 LYS 14 2HG LYS 14 -3.433 -4.530 -2.641
81 HD2 LYS 14 1HD LYS 14 -1.951 -5.412 -5.094
82 HD3 LYS 14 2HD LYS 14 -3.188 -6.436 -4.361
83 HE2 LYS 14 1HE LYS 14 -4.889 -4.938 -4.828
84 HE3 LYS 14 2HE LYS 14 -3.785 -3.569 -4.957
85 HZ1 LYS 14 3HZ LYS 14 -3.862 -3.866 -7.139
86 HZ2 LYS 14 1HZ LYS 14 -4.711 -5.322 -6.990
87 HZ3 LYS 14 2HZ LYS 14 -3.020 -5.319 -6.936
88 H CYS 15 H CYS 15 -0.451 -1.676 -0.118
89 HA CYS 15 HA CYS 15 0.640 0.643 -1.079
90 HB2 CYS 15 1HB CYS 15 0.752 -0.412 1.289
91 HB3 CYS 15 2HB CYS 15 2.251 -1.143 0.724
92 H GLU 16 H GLU 16 2.119 1.175 -2.548
93 HA GLU 16 HA GLU 16 3.567 -0.943 -3.913
94 HB2 GLU 16 1HB GLU 16 3.043 1.956 -4.480
95 HB3 GLU 16 2HB GLU 16 4.314 1.101 -5.343
96 HG2 GLU 16 1HG GLU 16 1.497 0.080 -5.237
97 HG3 GLU 16 2HG GLU 16 2.035 1.238 -6.452
98 H LYS 17 H LYS 17 4.152 1.625 -1.664
99 HA LYS 17 HA LYS 17 6.876 2.070 -2.021
100 HB2 LYS 17 1HB LYS 17 5.107 2.194 0.410
101 HB3 LYS 17 2HB LYS 17 6.821 2.576 0.503
102 HG2 LYS 17 1HG LYS 17 6.593 4.444 -0.896
103 HG3 LYS 17 2HG LYS 17 4.996 3.937 -1.451
104 HD2 LYS 17 1HD LYS 17 4.098 4.321 0.796
105 HD3 LYS 17 2HD LYS 17 5.696 4.828 1.348
106 HE2 LYS 17 1HE LYS 17 4.422 6.795 0.898
107 HE3 LYS 17 2HE LYS 17 5.630 6.634 -0.377
108 HZ1 LYS 17 3HZ LYS 17 3.050 7.087 -0.839
109 HZ2 LYS 17 1HZ LYS 17 3.060 5.397 -0.913
110 HZ3 LYS 17 2HZ LYS 17 4.065 6.294 -1.935
111 H CYS 18 H CYS 18 5.241 -0.332 0.025
112 HA CYS 18 HA CYS 18 7.817 -1.740 0.283
113 HB2 CYS 18 1HB CYS 18 6.766 -2.800 2.322
114 HB3 CYS 18 2HB CYS 18 7.092 -1.075 2.457
115 H GLY 19 H GLY 19 4.301 -2.297 0.085
116 HA2 GLY 19 1HA GLY 19 3.607 -3.789 -1.786
117 HA3 GLY 19 2HA GLY 19 4.904 -4.855 -1.268
118 H LYS 20 H LYS 20 2.578 -3.108 0.747
119 HA LYS 20 HA LYS 20 1.768 -5.680 1.900
120 HB2 LYS 20 1HB LYS 20 1.716 -2.849 2.899
121 HB3 LYS 20 2HB LYS 20 0.690 -4.072 3.638
122 HG2 LYS 20 1HG LYS 20 3.672 -4.349 3.363
123 HG3 LYS 20 2HG LYS 20 2.873 -3.678 4.787
124 HD2 LYS 20 1HD LYS 20 1.631 -5.786 5.057
125 HD3 LYS 20 2HD LYS 20 2.480 -6.451 3.659
126 HE2 LYS 20 1HE LYS 20 3.700 -7.277 5.452
127 HE3 LYS 20 2HE LYS 20 4.624 -5.856 4.968
128 HZ1 LYS 20 3HZ LYS 20 4.071 -4.741 6.843
129 HZ2 LYS 20 1HZ LYS 20 3.947 -6.309 7.466
130 HZ3 LYS 20 2HZ LYS 20 2.554 -5.476 6.989
131 H GLY 21 H GLY 21 -0.637 -5.350 2.889
132 HA2 GLY 21 1HA GLY 21 -2.354 -4.272 0.757
133 HA3 GLY 21 2HA GLY 21 -2.551 -5.945 1.257
134 H TYR 22 H TYR 22 -4.206 -3.349 1.434
135 HA TYR 22 HA TYR 22 -5.023 -3.772 4.226
136 HB2 TYR 22 1HB TYR 22 -4.746 -1.106 2.825
137 HB3 TYR 22 2HB TYR 22 -5.523 -1.333 4.388
138 HD1 TYR 22 HD2 TYR 22 -2.282 -1.880 2.632
139 HD2 TYR 22 HD1 TYR 22 -4.258 -1.199 6.338
140 HE1 TYR 22 HE2 TYR 22 -0.101 -1.635 3.743
141 HE2 TYR 22 HE1 TYR 22 -2.083 -0.951 7.459
142 HH TYR 22 HH TYR 22 0.121 -0.969 7.227
143 H ASN 23 H ASN 23 -7.261 -3.016 4.652
144 HA ASN 23 HA ASN 23 -8.971 -3.752 2.404
145 HB2 ASN 23 1HB ASN 23 -9.331 -4.912 4.529
146 HB3 ASN 23 2HB ASN 23 -9.618 -3.373 5.336
147 HD21 ASN 23 1HD2 ASN 23 -11.580 -2.411 5.183
148 HD22 ASN 23 2HD2 ASN 23 -12.939 -3.121 4.386
149 H SER 24 H SER 24 -8.432 -1.091 4.658
150 HA SER 24 HA SER 24 -10.416 0.528 3.228
151 HB2 SER 24 1HB SER 24 -10.273 2.075 5.113
152 HB3 SER 24 2HB SER 24 -10.578 0.439 5.698
153 HG SER 24 HG SER 24 -8.779 0.543 6.762
154 H LYS 25 H LYS 25 -9.799 2.881 2.947
155 HA LYS 25 HA LYS 25 -7.234 2.975 1.578
156 HB2 LYS 25 1HB LYS 25 -8.034 5.057 0.613
157 HB3 LYS 25 2HB LYS 25 -9.262 3.809 0.447
158 HG2 LYS 25 1HG LYS 25 -10.573 5.520 1.148
159 HG3 LYS 25 2HG LYS 25 -10.115 4.862 2.721
160 HD2 LYS 25 1HD LYS 25 -9.632 7.062 3.086
161 HD3 LYS 25 2HD LYS 25 -8.085 6.540 2.416
162 HE2 LYS 25 1HE LYS 25 -8.918 7.263 0.168
163 HE3 LYS 25 2HE LYS 25 -10.326 7.950 0.975
164 HZ1 LYS 25 3HZ LYS 25 -7.701 8.736 1.978
165 HZ2 LYS 25 1HZ LYS 25 -9.122 9.643 1.837
166 HZ3 LYS 25 2HZ LYS 25 -8.164 9.358 0.474
167 H PHE 26 H PHE 26 -8.880 4.479 4.299
168 HA PHE 26 HA PHE 26 -7.078 6.540 4.838
169 HB2 PHE 26 1HB PHE 26 -9.366 6.056 5.911
170 HB3 PHE 26 2HB PHE 26 -8.487 4.987 7.000
171 HD1 PHE 26 HD1 PHE 26 -6.583 5.985 8.362
172 HD2 PHE 26 HD2 PHE 26 -9.486 8.341 6.327
173 HE1 PHE 26 HE1 PHE 26 -6.029 7.904 9.799
174 HE2 PHE 26 HE2 PHE 26 -8.936 10.263 7.760
175 HZ PHE 26 HZ PHE 26 -7.205 10.047 9.499
176 H ASN 27 H ASN 27 -7.201 3.291 6.306
177 HA ASN 27 HA ASN 27 -5.007 3.392 7.924
178 HB2 ASN 27 1HB ASN 27 -6.672 1.439 7.377
179 HB3 ASN 27 2HB ASN 27 -5.417 0.945 6.245
180 HD21 ASN 27 1HD2 ASN 27 -5.956 -0.816 8.098
181 HD22 ASN 27 2HD2 ASN 27 -4.750 -0.857 9.335
182 H LEU 28 H LEU 28 -5.045 2.761 4.441
183 HA LEU 28 HA LEU 28 -2.288 2.242 4.165
184 HB2 LEU 28 1HB LEU 28 -3.756 1.575 2.425
185 HB3 LEU 28 2HB LEU 28 -4.376 3.213 2.231
186 HG LEU 28 HG LEU 28 -1.984 3.809 1.492
187 HD11 LEU 28 1HD1 LEU 28 -0.957 1.710 2.256
188 HD12 LEU 28 2HD1 LEU 28 -0.697 1.998 0.536
189 HD13 LEU 28 3HD1 LEU 28 -1.906 0.827 1.060
190 HD21 LEU 28 3HD2 LEU 28 -3.703 2.026 -0.232
191 HD22 LEU 28 1HD2 LEU 28 -2.475 3.155 -0.805
192 HD23 LEU 28 2HD2 LEU 28 -3.922 3.761 0.001
193 H ASP 29 H ASP 29 -4.140 5.201 3.431
194 HA ASP 29 HA ASP 29 -2.192 6.908 2.655
195 HB2 ASP 29 1HB ASP 29 -4.669 7.275 4.264
196 HB3 ASP 29 2HB ASP 29 -3.543 8.627 4.190
197 H MET 30 H MET 30 -3.084 6.389 6.071
198 HA MET 30 HA MET 30 -1.017 7.947 7.154
199 HB2 MET 30 1HB MET 30 -2.832 5.823 8.197
200 HB3 MET 30 2HB MET 30 -1.442 6.278 9.173
201 HG2 MET 30 1HG MET 30 -3.455 8.252 8.135
202 HG3 MET 30 2HG MET 30 -3.574 7.469 9.709
203 HE1 MET 30 3HE MET 30 -2.993 11.032 10.288
204 HE2 MET 30 1HE MET 30 -3.965 9.579 10.524
205 HE3 MET 30 2HE MET 30 -2.683 9.977 11.668
206 H HIS 31 H HIS 31 -1.203 4.471 6.475
207 HA HIS 31 HA HIS 31 1.169 3.618 7.587
208 HB2 HIS 31 1HB HIS 31 -0.267 1.965 6.701
209 HB3 HIS 31 2HB HIS 31 -0.299 2.726 5.113
210 HD1 HIS 31 HD1 HIS 31 2.537 1.414 7.301
211 HD2 HIS 31 HD2 HIS 31 1.092 1.168 3.414
212 HE1 HIS 31 HE1 HIS 31 4.152 -0.074 6.077
213 H GLN 32 H GLN 32 0.664 4.955 4.332
214 HA GLN 32 HA GLN 32 3.102 4.719 3.191
215 HB2 GLN 32 1HB GLN 32 1.338 7.171 3.196
216 HB3 GLN 32 2HB GLN 32 2.694 6.935 2.101
217 HG2 GLN 32 1HG GLN 32 1.628 5.043 1.091
218 HG3 GLN 32 2HG GLN 32 0.328 5.086 2.281
219 HE21 GLN 32 1HE2 GLN 32 -1.447 5.642 1.233
220 HE22 GLN 32 2HE2 GLN 32 -1.607 6.977 0.149
221 H LYS 33 H LYS 33 2.204 7.125 5.629
222 HA LYS 33 HA LYS 33 4.466 8.688 5.679
223 HB2 LYS 33 1HB LYS 33 2.929 7.750 8.108
224 HB3 LYS 33 2HB LYS 33 3.932 9.191 8.000
225 HG2 LYS 33 1HG LYS 33 1.472 8.735 6.328
226 HG3 LYS 33 2HG LYS 33 1.479 9.607 7.863
227 HD2 LYS 33 1HD LYS 33 3.395 10.983 6.715
228 HD3 LYS 33 2HD LYS 33 2.656 10.378 5.230
229 HE2 LYS 33 1HE LYS 33 1.673 12.494 5.707
230 HE3 LYS 33 2HE LYS 33 0.467 11.260 6.068
231 HZ1 LYS 33 3HZ LYS 33 0.286 12.230 8.042
232 HZ2 LYS 33 1HZ LYS 33 1.664 13.182 7.804
233 HZ3 LYS 33 2HZ LYS 33 1.816 11.614 8.419
234 H VAL 34 H VAL 34 3.946 5.564 7.263
235 HA VAL 34 HA VAL 34 6.114 5.278 8.854
236 HB VAL 34 HB VAL 34 5.105 3.187 6.920
237 HG11 VAL 34 1HG1 VAL 34 7.010 3.082 9.214
238 HG12 VAL 34 2HG1 VAL 34 5.973 1.694 8.880
239 HG13 VAL 34 3HG1 VAL 34 7.091 2.278 7.647
240 HG21 VAL 34 3HG2 VAL 34 4.384 3.253 9.806
241 HG22 VAL 34 1HG2 VAL 34 3.570 4.368 8.709
242 HG23 VAL 34 2HG2 VAL 34 3.475 2.629 8.429
243 H HIS 35 H HIS 35 6.099 4.888 5.328
244 HA HIS 35 HA HIS 35 8.903 4.301 5.196
245 HB2 HIS 35 1HB HIS 35 7.182 5.217 2.897
246 HB3 HIS 35 2HB HIS 35 8.622 4.205 2.842
247 HD1 HIS 35 HD1 HIS 35 8.278 1.768 4.060
248 HD2 HIS 35 HD2 HIS 35 4.862 3.819 2.884
249 HE1 HIS 35 HE1 HIS 35 6.450 0.042 3.986
250 H THR 36 H THR 36 9.717 6.128 6.393
251 HA THR 36 HA THR 36 10.271 8.386 4.641
252 HB THR 36 HB THR 36 9.821 10.009 6.523
253 HG1 THR 36 HG1 THR 36 9.104 9.227 8.348
254 HG21 THR 36 3HG2 THR 36 8.306 9.989 4.688
255 HG22 THR 36 1HG2 THR 36 7.324 9.991 6.152
256 HG23 THR 36 2HG2 THR 36 7.549 8.496 5.244
257 H GLY 37 H GLY 37 12.392 8.714 4.678
258 HA2 GLY 37 1HA GLY 37 14.366 9.368 5.888
259 HA3 GLY 37 2HA GLY 37 13.827 8.362 7.225
260 H GLU 38 H GLU 38 14.363 7.826 3.738
261 HA GLU 38 HA GLU 38 15.945 5.451 4.466
262 HB2 GLU 38 1HB GLU 38 15.330 4.517 2.292
263 HB3 GLU 38 2HB GLU 38 13.899 4.915 3.231
264 HG2 GLU 38 1HG GLU 38 13.340 5.685 1.140
265 HG3 GLU 38 2HG GLU 38 13.952 7.143 1.919
266 H ARG 39 H ARG 39 17.989 5.251 3.733
267 HA ARG 39 HA ARG 39 19.621 7.287 3.125
268 HB2 ARG 39 1HB ARG 39 19.707 4.431 2.198
269 HB3 ARG 39 2HB ARG 39 20.967 5.563 1.727
270 HG2 ARG 39 1HG ARG 39 20.202 5.060 4.589
271 HG3 ARG 39 2HG ARG 39 21.457 4.151 3.744
272 HD2 ARG 39 1HD ARG 39 22.679 6.219 3.318
273 HD3 ARG 39 2HD ARG 39 21.413 7.143 4.127
274 HE ARG 39 HE ARG 39 22.278 6.500 6.153
275 HH11 ARG 39 1HH1 ARG 39 23.671 4.552 3.626
276 HH12 ARG 39 2HH1 ARG 39 24.856 3.825 4.661
277 HH21 ARG 39 1HH2 ARG 39 23.833 5.550 7.525
278 HH22 ARG 39 2HH2 ARG 39 24.946 4.392 6.878
279 HA PRO 40 HA PRO 40 18.535 8.950 -0.803
280 HB2 PRO 40 1HB PRO 40 20.897 10.124 -1.443
281 HB3 PRO 40 2HB PRO 40 19.804 10.772 -0.214
282 HG2 PRO 40 1HG PRO 40 22.269 9.108 0.130
283 HG3 PRO 40 2HG PRO 40 21.739 10.527 1.053
284 HD2 PRO 40 1HD PRO 40 21.411 7.996 1.957
285 HD3 PRO 40 2HD PRO 40 20.268 9.301 2.335
286 H SER 41 H SER 41 20.752 6.449 -0.371
287 HA SER 41 HA SER 41 21.607 6.257 -3.126
288 HB2 SER 41 1HB SER 41 21.935 4.320 -0.820
289 HB3 SER 41 2HB SER 41 22.714 4.172 -2.396
290 HG SER 41 HG SER 41 23.388 6.512 -1.730
291 H GLY 42 H GLY 42 19.360 6.242 -3.948
292 HA2 GLY 42 1HA GLY 42 18.458 3.473 -4.232
293 HA3 GLY 42 2HA GLY 42 17.293 4.642 -3.627
294 HA PRO 43 HA PRO 43 18.301 6.084 -8.123
295 HB2 PRO 43 1HB PRO 43 19.937 4.494 -9.595
296 HB3 PRO 43 2HB PRO 43 20.536 5.817 -8.589
297 HG2 PRO 43 1HG PRO 43 20.443 2.884 -8.001
298 HG3 PRO 43 2HG PRO 43 21.745 4.046 -7.691
299 HD2 PRO 43 1HD PRO 43 20.037 3.221 -5.758
300 HD3 PRO 43 2HD PRO 43 20.741 4.851 -5.778
301 H SER 44 H SER 44 17.316 3.127 -6.995
302 HA SER 44 HA SER 44 15.669 1.697 -7.662
303 HB2 SER 44 1HB SER 44 14.754 3.900 -8.698
304 HB3 SER 44 2HB SER 44 15.320 3.226 -10.227
305 HG SER 44 HG SER 44 13.792 1.578 -8.579
306 H SER 45 H SER 45 18.200 0.893 -8.068
307 HA SER 45 HA SER 45 18.497 -0.028 -10.811
308 HB2 SER 45 1HB SER 45 20.235 -0.056 -8.368
309 HB3 SER 45 2HB SER 45 20.592 -1.155 -9.700
310 HG SER 45 HG SER 45 20.112 1.510 -10.345
311 H GLY 46 H GLY 46 18.147 -1.441 -7.565
312 HA2 GLY 46 1HA GLY 46 16.714 -3.318 -7.169
313 HA3 GLY 46 2HA GLY 46 16.973 -3.822 -8.833
Start of MODEL 14
1 H1 GLY 1 H GLY 1 1.194 -24.466 -10.889
2 HA2 GLY 1 1HA GLY 1 2.892 -25.049 -8.725
3 HA3 GLY 1 2HA GLY 1 3.435 -23.553 -9.469
4 H SER 2 H SER 2 2.754 -23.209 -6.991
5 HA SER 2 HA SER 2 0.051 -22.043 -7.093
6 HB2 SER 2 1HB SER 2 1.352 -23.653 -4.915
7 HB3 SER 2 2HB SER 2 0.103 -22.470 -4.524
8 HG SER 2 HG SER 2 -0.978 -23.730 -6.431
9 H SER 3 H SER 3 0.949 -20.034 -7.684
10 HA SER 3 HA SER 3 3.046 -18.669 -6.605
11 HB2 SER 3 1HB SER 3 0.360 -17.665 -7.539
12 HB3 SER 3 2HB SER 3 1.644 -16.566 -7.037
13 HG SER 3 HG SER 3 2.872 -18.085 -8.649
14 H GLY 4 H GLY 4 -0.314 -18.335 -5.436
15 HA2 GLY 4 1HA GLY 4 -0.279 -18.725 -2.855
16 HA3 GLY 4 2HA GLY 4 0.739 -17.293 -2.903
17 H SER 5 H SER 5 -0.432 -15.639 -4.635
18 HA SER 5 HA SER 5 -2.439 -14.400 -3.240
19 HB2 SER 5 1HB SER 5 -1.266 -13.263 -5.030
20 HB3 SER 5 2HB SER 5 -1.948 -14.364 -6.227
21 HG SER 5 HG SER 5 -4.036 -13.535 -5.582
22 H SER 6 H SER 6 -4.634 -14.475 -3.151
23 HA SER 6 HA SER 6 -5.885 -16.879 -4.213
24 HB2 SER 6 1HB SER 6 -6.935 -14.773 -2.308
25 HB3 SER 6 2HB SER 6 -7.789 -16.249 -2.757
26 HG SER 6 HG SER 6 -5.327 -16.036 -1.366
27 H GLY 7 H GLY 7 -7.910 -16.825 -5.344
28 HA2 GLY 7 1HA GLY 7 -7.986 -14.708 -7.311
29 HA3 GLY 7 2HA GLY 7 -8.992 -16.149 -7.285
30 H THR 8 H THR 8 -10.249 -15.985 -4.880
31 HA THR 8 HA THR 8 -12.201 -13.953 -5.398
32 HB THR 8 HB THR 8 -12.000 -15.806 -3.016
33 HG1 THR 8 HG1 THR 8 -13.813 -16.769 -4.479
34 HG21 THR 8 3HG2 THR 8 -14.085 -13.915 -4.014
35 HG22 THR 8 1HG2 THR 8 -13.560 -14.238 -2.362
36 HG23 THR 8 2HG2 THR 8 -14.586 -15.400 -3.205
37 H GLY 9 H GLY 9 -10.053 -14.629 -2.625
38 HA2 GLY 9 1HA GLY 9 -10.664 -12.097 -1.395
39 HA3 GLY 9 2HA GLY 9 -9.482 -13.272 -0.838
40 H GLU 10 H GLU 10 -9.959 -10.302 -2.388
41 HA GLU 10 HA GLU 10 -7.075 -10.058 -2.818
42 HB2 GLU 10 1HB GLU 10 -8.203 -10.614 -4.998
43 HB3 GLU 10 2HB GLU 10 -9.088 -9.102 -4.855
44 HG2 GLU 10 1HG GLU 10 -6.713 -8.058 -4.622
45 HG3 GLU 10 2HG GLU 10 -6.193 -9.558 -5.388
46 H LYS 11 H LYS 11 -6.325 -8.292 -1.862
47 HA LYS 11 HA LYS 11 -8.057 -6.407 -0.627
48 HB2 LYS 11 1HB LYS 11 -5.656 -7.169 0.042
49 HB3 LYS 11 2HB LYS 11 -5.130 -5.910 -1.068
50 HG2 LYS 11 1HG LYS 11 -5.145 -4.953 1.089
51 HG3 LYS 11 2HG LYS 11 -6.552 -4.305 0.243
52 HD2 LYS 11 1HD LYS 11 -7.408 -4.860 2.331
53 HD3 LYS 11 2HD LYS 11 -7.826 -6.265 1.348
54 HE2 LYS 11 1HE LYS 11 -6.936 -7.333 3.153
55 HE3 LYS 11 2HE LYS 11 -5.465 -7.104 2.209
56 HZ1 LYS 11 3HZ LYS 11 -5.275 -6.476 4.591
57 HZ2 LYS 11 1HZ LYS 11 -6.374 -5.220 4.312
58 HZ3 LYS 11 2HZ LYS 11 -4.880 -5.228 3.519
59 HA PRO 12 HA PRO 12 -8.626 -3.635 -4.025
60 HB2 PRO 12 1HB PRO 12 -9.619 -1.542 -2.609
61 HB3 PRO 12 2HB PRO 12 -10.562 -2.994 -2.967
62 HG2 PRO 12 1HG PRO 12 -9.103 -2.253 -0.460
63 HG3 PRO 12 2HG PRO 12 -10.711 -2.975 -0.646
64 HD2 PRO 12 1HD PRO 12 -8.524 -4.437 -0.007
65 HD3 PRO 12 2HD PRO 12 -9.862 -5.093 -0.972
66 H TYR 13 H TYR 13 -6.576 -3.049 -1.315
67 HA TYR 13 HA TYR 13 -5.201 -0.929 -2.829
68 HB2 TYR 13 1HB TYR 13 -5.505 -1.119 0.175
69 HB3 TYR 13 2HB TYR 13 -4.557 0.095 -0.678
70 HD1 TYR 13 HD2 TYR 13 -6.342 0.821 -2.894
71 HD2 TYR 13 HD1 TYR 13 -7.236 0.054 1.195
72 HE1 TYR 13 HE2 TYR 13 -8.331 2.258 -3.065
73 HE2 TYR 13 HE1 TYR 13 -9.228 1.488 1.034
74 HH TYR 13 HH TYR 13 -9.761 3.621 -1.468
75 H LYS 14 H LYS 14 -3.001 -1.043 -2.958
76 HA LYS 14 HA LYS 14 -1.576 -3.061 -1.408
77 HB2 LYS 14 1HB LYS 14 -1.822 -3.062 -4.407
78 HB3 LYS 14 2HB LYS 14 -0.446 -3.801 -3.600
79 HG2 LYS 14 1HG LYS 14 -3.305 -4.542 -3.033
80 HG3 LYS 14 2HG LYS 14 -2.284 -5.374 -4.208
81 HD2 LYS 14 1HD LYS 14 -0.669 -5.863 -2.396
82 HD3 LYS 14 2HD LYS 14 -1.779 -5.116 -1.243
83 HE2 LYS 14 1HE LYS 14 -3.487 -6.773 -1.829
84 HE3 LYS 14 2HE LYS 14 -2.371 -7.519 -2.971
85 HZ1 LYS 14 3HZ LYS 14 -2.525 -8.617 -0.745
86 HZ2 LYS 14 1HZ LYS 14 -1.783 -7.251 -0.078
87 HZ3 LYS 14 2HZ LYS 14 -0.958 -8.189 -1.217
88 H CYS 15 H CYS 15 -0.001 -1.920 -0.497
89 HA CYS 15 HA CYS 15 1.002 0.517 -1.512
90 HB2 CYS 15 1HB CYS 15 1.029 -0.182 0.896
91 HB3 CYS 15 2HB CYS 15 2.330 -1.303 0.505
92 H GLU 16 H GLU 16 3.195 0.983 -2.183
93 HA GLU 16 HA GLU 16 4.350 -1.226 -3.749
94 HB2 GLU 16 1HB GLU 16 4.052 1.695 -4.270
95 HB3 GLU 16 2HB GLU 16 5.454 0.872 -4.940
96 HG2 GLU 16 1HG GLU 16 3.629 -0.835 -5.770
97 HG3 GLU 16 2HG GLU 16 2.576 0.569 -5.603
98 H LYS 17 H LYS 17 5.089 1.484 -1.624
99 HA LYS 17 HA LYS 17 7.839 1.476 -1.649
100 HB2 LYS 17 1HB LYS 17 5.873 1.983 0.573
101 HB3 LYS 17 2HB LYS 17 7.606 2.132 0.832
102 HG2 LYS 17 1HG LYS 17 6.226 3.607 -1.381
103 HG3 LYS 17 2HG LYS 17 6.287 4.244 0.264
104 HD2 LYS 17 1HD LYS 17 8.629 4.418 0.226
105 HD3 LYS 17 2HD LYS 17 8.768 3.367 -1.186
106 HE2 LYS 17 1HE LYS 17 9.157 5.612 -1.902
107 HE3 LYS 17 2HE LYS 17 7.577 5.118 -2.509
108 HZ1 LYS 17 3HZ LYS 17 7.321 7.279 -1.650
109 HZ2 LYS 17 1HZ LYS 17 8.163 6.915 -0.229
110 HZ3 LYS 17 2HZ LYS 17 6.630 6.253 -0.496
111 H CYS 18 H CYS 18 5.665 -0.668 0.133
112 HA CYS 18 HA CYS 18 7.989 -2.368 0.760
113 HB2 CYS 18 1HB CYS 18 6.837 -3.082 2.801
114 HB3 CYS 18 2HB CYS 18 7.081 -1.338 2.795
115 H GLY 19 H GLY 19 4.495 -2.324 0.125
116 HA2 GLY 19 1HA GLY 19 3.607 -3.791 -1.591
117 HA3 GLY 19 2HA GLY 19 4.797 -4.989 -1.105
118 H LYS 20 H LYS 20 2.760 -3.072 1.043
119 HA LYS 20 HA LYS 20 1.630 -5.577 2.074
120 HB2 LYS 20 1HB LYS 20 2.849 -3.700 3.492
121 HB3 LYS 20 2HB LYS 20 1.254 -2.960 3.462
122 HG2 LYS 20 1HG LYS 20 1.119 -4.169 5.391
123 HG3 LYS 20 2HG LYS 20 0.477 -5.341 4.238
124 HD2 LYS 20 1HD LYS 20 2.379 -6.641 4.296
125 HD3 LYS 20 2HD LYS 20 3.410 -5.295 4.789
126 HE2 LYS 20 1HE LYS 20 1.291 -6.482 6.566
127 HE3 LYS 20 2HE LYS 20 2.959 -7.052 6.548
128 HZ1 LYS 20 3HZ LYS 20 3.097 -5.515 8.192
129 HZ2 LYS 20 1HZ LYS 20 1.862 -4.542 7.566
130 HZ3 LYS 20 2HZ LYS 20 3.408 -4.492 6.881
131 H GLY 21 H GLY 21 -0.636 -5.650 2.650
132 HA2 GLY 21 1HA GLY 21 -2.259 -3.985 0.834
133 HA3 GLY 21 2HA GLY 21 -2.677 -5.616 1.337
134 H TYR 22 H TYR 22 -4.291 -3.213 1.515
135 HA TYR 22 HA TYR 22 -4.947 -3.402 4.346
136 HB2 TYR 22 1HB TYR 22 -4.543 -0.721 3.005
137 HB3 TYR 22 2HB TYR 22 -5.044 -0.995 4.670
138 HD1 TYR 22 HD2 TYR 22 -2.226 -1.163 2.312
139 HD2 TYR 22 HD1 TYR 22 -3.444 -1.576 6.368
140 HE1 TYR 22 HE2 TYR 22 0.131 -1.150 3.015
141 HE2 TYR 22 HE1 TYR 22 -1.090 -1.562 7.082
142 HH TYR 22 HH TYR 22 1.148 -2.102 6.056
143 H ASN 23 H ASN 23 -7.082 -3.516 4.644
144 HA ASN 23 HA ASN 23 -8.847 -3.477 2.409
145 HB2 ASN 23 1HB ASN 23 -10.618 -3.760 4.241
146 HB3 ASN 23 2HB ASN 23 -9.398 -5.023 4.104
147 HD21 ASN 23 1HD2 ASN 23 -11.042 -3.176 6.228
148 HD22 ASN 23 2HD2 ASN 23 -9.942 -3.199 7.561
149 H SER 24 H SER 24 -8.472 -1.385 5.259
150 HA SER 24 HA SER 24 -10.389 0.515 4.179
151 HB2 SER 24 1HB SER 24 -10.021 1.738 6.296
152 HB3 SER 24 2HB SER 24 -10.446 0.051 6.581
153 HG SER 24 HG SER 24 -8.367 1.305 7.512
154 H LYS 25 H LYS 25 -9.871 2.256 3.033
155 HA LYS 25 HA LYS 25 -7.286 2.740 2.082
156 HB2 LYS 25 1HB LYS 25 -8.209 4.878 1.233
157 HB3 LYS 25 2HB LYS 25 -9.230 3.497 0.858
158 HG2 LYS 25 1HG LYS 25 -10.807 4.987 1.549
159 HG3 LYS 25 2HG LYS 25 -10.437 4.200 3.085
160 HD2 LYS 25 1HD LYS 25 -10.277 6.381 3.737
161 HD3 LYS 25 2HD LYS 25 -8.614 6.121 3.204
162 HE2 LYS 25 1HE LYS 25 -10.714 7.139 1.320
163 HE3 LYS 25 2HE LYS 25 -9.848 8.232 2.398
164 HZ1 LYS 25 3HZ LYS 25 -7.813 6.906 1.346
165 HZ2 LYS 25 1HZ LYS 25 -8.443 8.317 0.656
166 HZ3 LYS 25 2HZ LYS 25 -8.897 6.804 0.051
167 H PHE 26 H PHE 26 -9.080 4.205 4.746
168 HA PHE 26 HA PHE 26 -7.417 6.330 5.356
169 HB2 PHE 26 1HB PHE 26 -9.462 6.185 6.532
170 HB3 PHE 26 2HB PHE 26 -9.114 4.555 7.099
171 HD1 PHE 26 HD1 PHE 26 -7.459 4.197 8.892
172 HD2 PHE 26 HD2 PHE 26 -8.682 8.096 7.702
173 HE1 PHE 26 HE1 PHE 26 -6.552 5.116 10.986
174 HE2 PHE 26 HE2 PHE 26 -7.776 9.022 9.794
175 HZ PHE 26 HZ PHE 26 -6.709 7.532 11.439
176 H ASN 27 H ASN 27 -7.158 2.947 6.378
177 HA ASN 27 HA ASN 27 -4.963 3.247 8.097
178 HB2 ASN 27 1HB ASN 27 -6.365 1.219 8.016
179 HB3 ASN 27 2HB ASN 27 -5.717 0.840 6.423
180 HD21 ASN 27 1HD2 ASN 27 -5.422 -1.105 8.085
181 HD22 ASN 27 2HD2 ASN 27 -3.821 -1.217 8.725
182 H LEU 28 H LEU 28 -5.116 2.531 4.629
183 HA LEU 28 HA LEU 28 -2.355 2.171 4.229
184 HB2 LEU 28 1HB LEU 28 -3.802 1.406 2.541
185 HB3 LEU 28 2HB LEU 28 -4.608 2.968 2.413
186 HG LEU 28 HG LEU 28 -2.256 3.778 1.594
187 HD11 LEU 28 1HD1 LEU 28 -1.787 1.352 0.189
188 HD12 LEU 28 2HD1 LEU 28 -1.801 1.005 1.918
189 HD13 LEU 28 3HD1 LEU 28 -0.707 2.229 1.273
190 HD21 LEU 28 3HD2 LEU 28 -2.918 3.058 -0.743
191 HD22 LEU 28 1HD2 LEU 28 -4.134 3.947 0.176
192 HD23 LEU 28 2HD2 LEU 28 -4.263 2.196 0.007
193 H ASP 29 H ASP 29 -4.407 5.040 3.752
194 HA ASP 29 HA ASP 29 -2.584 6.842 2.812
195 HB2 ASP 29 1HB ASP 29 -4.920 7.426 3.104
196 HB3 ASP 29 2HB ASP 29 -4.761 7.322 4.855
197 H MET 30 H MET 30 -3.176 6.069 6.235
198 HA MET 30 HA MET 30 -1.169 7.795 7.240
199 HB2 MET 30 1HB MET 30 -2.789 5.545 8.351
200 HB3 MET 30 2HB MET 30 -1.386 6.096 9.256
201 HG2 MET 30 1HG MET 30 -3.429 7.173 10.021
202 HG3 MET 30 2HG MET 30 -2.294 8.340 9.347
203 HE1 MET 30 3HE MET 30 -4.732 10.431 8.040
204 HE2 MET 30 1HE MET 30 -5.685 9.528 9.219
205 HE3 MET 30 2HE MET 30 -3.988 9.885 9.544
206 H HIS 31 H HIS 31 -1.216 4.310 6.561
207 HA HIS 31 HA HIS 31 1.288 3.614 7.494
208 HB2 HIS 31 1HB HIS 31 -0.052 1.830 6.789
209 HB3 HIS 31 2HB HIS 31 -0.393 2.577 5.231
210 HD1 HIS 31 HD1 HIS 31 2.746 1.336 7.010
211 HD2 HIS 31 HD2 HIS 31 0.950 1.324 3.263
212 HE1 HIS 31 HE1 HIS 31 4.301 0.034 5.523
213 H GLN 32 H GLN 32 0.417 4.901 4.303
214 HA GLN 32 HA GLN 32 2.725 4.755 2.912
215 HB2 GLN 32 1HB GLN 32 0.823 7.084 3.132
216 HB3 GLN 32 2HB GLN 32 2.141 7.043 1.969
217 HG2 GLN 32 1HG GLN 32 1.174 4.900 1.097
218 HG3 GLN 32 2HG GLN 32 -0.225 5.199 2.128
219 HE21 GLN 32 1HE2 GLN 32 -1.857 5.991 1.033
220 HE22 GLN 32 2HE2 GLN 32 -1.765 7.114 -0.277
221 H LYS 33 H LYS 33 1.981 7.400 5.184
222 HA LYS 33 HA LYS 33 4.244 8.885 5.069
223 HB2 LYS 33 1HB LYS 33 2.791 8.058 7.589
224 HB3 LYS 33 2HB LYS 33 3.915 9.405 7.470
225 HG2 LYS 33 1HG LYS 33 2.459 10.607 6.034
226 HG3 LYS 33 2HG LYS 33 1.411 9.203 5.819
227 HD2 LYS 33 1HD LYS 33 0.234 10.449 7.370
228 HD3 LYS 33 2HD LYS 33 1.141 9.343 8.404
229 HE2 LYS 33 1HE LYS 33 2.032 12.136 7.698
230 HE3 LYS 33 2HE LYS 33 1.163 11.714 9.173
231 HZ1 LYS 33 3HZ LYS 33 3.937 11.270 8.472
232 HZ2 LYS 33 1HZ LYS 33 3.179 9.963 9.232
233 HZ3 LYS 33 2HZ LYS 33 3.222 11.473 9.991
234 H VAL 34 H VAL 34 3.848 5.892 6.938
235 HA VAL 34 HA VAL 34 6.101 5.646 8.355
236 HB VAL 34 HB VAL 34 4.996 3.507 6.531
237 HG11 VAL 34 1HG1 VAL 34 6.306 2.622 8.970
238 HG12 VAL 34 2HG1 VAL 34 6.499 2.053 7.310
239 HG13 VAL 34 3HG1 VAL 34 7.407 3.456 7.874
240 HG21 VAL 34 3HG2 VAL 34 3.591 2.867 8.269
241 HG22 VAL 34 1HG2 VAL 34 4.538 3.727 9.482
242 HG23 VAL 34 2HG2 VAL 34 3.535 4.628 8.345
243 H HIS 35 H HIS 35 5.919 5.290 4.841
244 HA HIS 35 HA HIS 35 8.744 4.741 4.605
245 HB2 HIS 35 1HB HIS 35 6.824 5.428 2.380
246 HB3 HIS 35 2HB HIS 35 8.355 4.569 2.250
247 HD1 HIS 35 HD1 HIS 35 8.233 2.270 3.990
248 HD2 HIS 35 HD2 HIS 35 4.789 3.684 2.145
249 HE1 HIS 35 HE1 HIS 35 6.627 0.335 3.991
250 H THR 36 H THR 36 8.497 7.071 5.964
251 HA THR 36 HA THR 36 9.124 9.160 3.984
252 HB THR 36 HB THR 36 7.216 9.692 5.466
253 HG1 THR 36 HG1 THR 36 8.048 11.750 6.088
254 HG21 THR 36 3HG2 THR 36 8.678 10.300 7.853
255 HG22 THR 36 1HG2 THR 36 8.885 8.594 7.460
256 HG23 THR 36 2HG2 THR 36 7.265 9.265 7.652
257 H GLY 37 H GLY 37 11.066 7.241 4.662
258 HA2 GLY 37 1HA GLY 37 12.863 8.657 6.508
259 HA3 GLY 37 2HA GLY 37 13.044 6.991 5.980
260 H GLU 38 H GLU 38 12.797 7.295 3.231
261 HA GLU 38 HA GLU 38 15.388 7.911 2.459
262 HB2 GLU 38 1HB GLU 38 12.813 7.689 0.928
263 HB3 GLU 38 2HB GLU 38 14.309 8.124 0.113
264 HG2 GLU 38 1HG GLU 38 14.314 5.867 -0.189
265 HG3 GLU 38 2HG GLU 38 15.225 5.987 1.315
266 H ARG 39 H ARG 39 16.293 9.648 1.286
267 HA ARG 39 HA ARG 39 16.808 11.873 1.131
268 HB2 ARG 39 1HB ARG 39 15.231 11.476 -0.769
269 HB3 ARG 39 2HB ARG 39 13.923 12.057 0.253
270 HG2 ARG 39 1HG ARG 39 14.444 13.937 -0.955
271 HG3 ARG 39 2HG ARG 39 15.415 14.172 0.500
272 HD2 ARG 39 1HD ARG 39 16.914 14.646 -1.206
273 HD3 ARG 39 2HD ARG 39 17.272 12.962 -0.825
274 HE ARG 39 HE ARG 39 16.607 12.399 -2.932
275 HH11 ARG 39 1HH1 ARG 39 15.301 15.530 -2.150
276 HH12 ARG 39 2HH1 ARG 39 14.659 15.802 -3.736
277 HH21 ARG 39 1HH2 ARG 39 15.766 12.746 -5.024
278 HH22 ARG 39 2HH2 ARG 39 14.923 14.218 -5.370
279 HA PRO 40 HA PRO 40 14.454 12.869 5.106
280 HB2 PRO 40 1HB PRO 40 16.567 12.640 6.795
281 HB3 PRO 40 2HB PRO 40 15.509 11.283 6.392
282 HG2 PRO 40 1HG PRO 40 18.199 11.983 5.281
283 HG3 PRO 40 2HG PRO 40 17.564 10.398 5.757
284 HD2 PRO 40 1HD PRO 40 17.667 11.210 3.176
285 HD3 PRO 40 2HD PRO 40 16.393 10.135 3.789
286 H SER 41 H SER 41 17.640 13.761 3.878
287 HA SER 41 HA SER 41 17.815 16.221 5.304
288 HB2 SER 41 1HB SER 41 19.272 15.205 2.856
289 HB3 SER 41 2HB SER 41 19.656 16.725 3.664
290 HG SER 41 HG SER 41 19.534 14.391 5.201
291 H GLY 42 H GLY 42 16.353 17.780 5.003
292 HA2 GLY 42 1HA GLY 42 15.382 18.298 2.273
293 HA3 GLY 42 2HA GLY 42 14.572 18.792 3.752
294 HA PRO 43 HA PRO 43 16.392 22.769 3.559
295 HB2 PRO 43 1HB PRO 43 17.033 23.292 6.144
296 HB3 PRO 43 2HB PRO 43 15.366 23.255 5.557
297 HG2 PRO 43 1HG PRO 43 16.909 21.142 7.012
298 HG3 PRO 43 2HG PRO 43 15.234 21.670 7.253
299 HD2 PRO 43 1HD PRO 43 15.871 19.428 5.874
300 HD3 PRO 43 2HD PRO 43 14.452 20.421 5.480
301 H SER 44 H SER 44 18.250 20.097 4.202
302 HA SER 44 HA SER 44 20.732 21.683 4.308
303 HB2 SER 44 1HB SER 44 20.191 20.072 6.241
304 HB3 SER 44 2HB SER 44 20.534 18.779 5.091
305 HG SER 44 HG SER 44 22.296 20.853 5.899
306 H SER 45 H SER 45 22.597 20.706 3.183
307 HA SER 45 HA SER 45 21.776 19.785 0.556
308 HB2 SER 45 1HB SER 45 24.512 20.521 1.626
309 HB3 SER 45 2HB SER 45 24.142 20.155 -0.059
310 HG SER 45 HG SER 45 22.981 22.000 -0.217
311 H GLY 46 H GLY 46 21.278 17.862 2.476
312 HA2 GLY 46 1HA GLY 46 21.722 15.681 3.075
313 HA3 GLY 46 2HA GLY 46 22.256 15.545 1.406
Start of MODEL 15
1 H1 GLY 1 H GLY 1 4.772 -24.499 1.694
2 HA2 GLY 1 1HA GLY 1 2.462 -25.309 1.508
3 HA3 GLY 1 2HA GLY 1 2.744 -26.218 2.985
4 H SER 2 H SER 2 1.695 -23.272 1.642
5 HA SER 2 HA SER 2 0.703 -22.341 4.138
6 HB2 SER 2 1HB SER 2 1.996 -20.265 4.308
7 HB3 SER 2 2HB SER 2 3.059 -21.667 4.420
8 HG SER 2 HG SER 2 3.154 -19.653 2.681
9 H SER 3 H SER 3 -1.095 -21.228 3.739
10 HA SER 3 HA SER 3 -1.368 -19.286 1.702
11 HB2 SER 3 1HB SER 3 -1.404 -21.416 0.338
12 HB3 SER 3 2HB SER 3 -2.904 -21.835 1.166
13 HG SER 3 HG SER 3 -3.909 -20.130 0.221
14 H GLY 4 H GLY 4 -3.508 -18.329 1.652
15 HA2 GLY 4 1HA GLY 4 -5.407 -19.226 3.669
16 HA3 GLY 4 2HA GLY 4 -4.650 -17.668 3.965
17 H SER 5 H SER 5 -7.071 -19.371 2.245
18 HA SER 5 HA SER 5 -7.588 -17.414 0.239
19 HB2 SER 5 1HB SER 5 -9.483 -19.501 1.341
20 HB3 SER 5 2HB SER 5 -9.616 -18.667 -0.208
21 HG SER 5 HG SER 5 -7.954 -19.820 -0.991
22 H SER 6 H SER 6 -9.203 -18.223 3.308
23 HA SER 6 HA SER 6 -10.479 -16.983 4.726
24 HB2 SER 6 1HB SER 6 -8.512 -15.360 4.351
25 HB3 SER 6 2HB SER 6 -9.602 -14.495 3.268
26 HG SER 6 HG SER 6 -11.091 -14.595 5.192
27 H GLY 7 H GLY 7 -11.721 -18.073 2.490
28 HA2 GLY 7 1HA GLY 7 -13.774 -17.999 1.457
29 HA3 GLY 7 2HA GLY 7 -14.133 -16.581 2.430
30 H THR 8 H THR 8 -14.422 -14.742 1.368
31 HA THR 8 HA THR 8 -13.249 -14.494 -1.326
32 HB THR 8 HB THR 8 -15.679 -14.715 -1.458
33 HG1 THR 8 HG1 THR 8 -15.259 -13.377 -3.054
34 HG21 THR 8 3HG2 THR 8 -16.560 -13.977 0.561
35 HG22 THR 8 1HG2 THR 8 -16.990 -12.668 -0.538
36 HG23 THR 8 2HG2 THR 8 -15.612 -12.491 0.548
37 H GLY 9 H GLY 9 -12.625 -12.377 -2.010
38 HA2 GLY 9 1HA GLY 9 -12.635 -9.956 -1.178
39 HA3 GLY 9 2HA GLY 9 -11.901 -10.646 0.263
40 H GLU 10 H GLU 10 -11.062 -8.779 -2.087
41 HA GLU 10 HA GLU 10 -8.409 -10.008 -2.404
42 HB2 GLU 10 1HB GLU 10 -10.224 -8.916 -4.506
43 HB3 GLU 10 2HB GLU 10 -8.492 -8.682 -4.695
44 HG2 GLU 10 1HG GLU 10 -8.137 -11.083 -4.577
45 HG3 GLU 10 2HG GLU 10 -9.865 -11.337 -4.339
46 H LYS 11 H LYS 11 -7.101 -8.770 -1.228
47 HA LYS 11 HA LYS 11 -7.334 -6.351 -0.163
48 HB2 LYS 11 1HB LYS 11 -4.866 -7.364 -1.583
49 HB3 LYS 11 2HB LYS 11 -4.878 -6.005 -0.467
50 HG2 LYS 11 1HG LYS 11 -5.978 -8.604 0.464
51 HG3 LYS 11 2HG LYS 11 -4.227 -8.430 0.317
52 HD2 LYS 11 1HD LYS 11 -4.620 -7.775 2.507
53 HD3 LYS 11 2HD LYS 11 -4.580 -6.234 1.648
54 HE2 LYS 11 1HE LYS 11 -6.894 -5.978 1.756
55 HE3 LYS 11 2HE LYS 11 -7.164 -7.691 2.071
56 HZ1 LYS 11 3HZ LYS 11 -6.105 -5.651 3.940
57 HZ2 LYS 11 1HZ LYS 11 -6.008 -7.311 4.249
58 HZ3 LYS 11 2HZ LYS 11 -7.519 -6.568 4.094
59 HA PRO 12 HA PRO 12 -8.217 -3.951 -3.923
60 HB2 PRO 12 1HB PRO 12 -9.535 -1.980 -2.601
61 HB3 PRO 12 2HB PRO 12 -10.301 -3.504 -3.066
62 HG2 PRO 12 1HG PRO 12 -9.179 -2.680 -0.416
63 HG3 PRO 12 2HG PRO 12 -10.688 -3.539 -0.773
64 HD2 PRO 12 1HD PRO 12 -8.455 -4.811 0.077
65 HD3 PRO 12 2HD PRO 12 -9.622 -5.566 -1.027
66 H TYR 13 H TYR 13 -6.771 -2.994 -0.873
67 HA TYR 13 HA TYR 13 -5.442 -0.739 -2.218
68 HB2 TYR 13 1HB TYR 13 -5.874 -1.276 0.727
69 HB3 TYR 13 2HB TYR 13 -4.965 0.087 0.083
70 HD1 TYR 13 HD2 TYR 13 -6.471 1.237 -1.982
71 HD2 TYR 13 HD1 TYR 13 -7.930 -0.647 1.543
72 HE1 TYR 13 HE2 TYR 13 -8.545 2.547 -2.148
73 HE2 TYR 13 HE1 TYR 13 -10.010 0.657 1.386
74 HH TYR 13 HH TYR 13 -10.529 2.974 -1.259
75 H LYS 14 H LYS 14 -3.480 -1.211 -2.932
76 HA LYS 14 HA LYS 14 -1.756 -2.930 -1.270
77 HB2 LYS 14 1HB LYS 14 -2.390 -4.133 -3.282
78 HB3 LYS 14 2HB LYS 14 -1.896 -2.776 -4.286
79 HG2 LYS 14 1HG LYS 14 0.432 -3.104 -3.371
80 HG3 LYS 14 2HG LYS 14 -0.151 -4.620 -2.680
81 HD2 LYS 14 1HD LYS 14 -0.732 -5.441 -4.881
82 HD3 LYS 14 2HD LYS 14 -0.285 -3.895 -5.607
83 HE2 LYS 14 1HE LYS 14 1.541 -5.339 -5.987
84 HE3 LYS 14 2HE LYS 14 2.034 -4.280 -4.667
85 HZ1 LYS 14 3HZ LYS 14 1.107 -6.198 -3.210
86 HZ2 LYS 14 1HZ LYS 14 2.653 -6.329 -3.885
87 HZ3 LYS 14 2HZ LYS 14 1.348 -7.136 -4.597
88 H CYS 15 H CYS 15 0.282 -2.229 -0.862
89 HA CYS 15 HA CYS 15 0.928 0.484 -1.754
90 HB2 CYS 15 1HB CYS 15 0.920 -0.088 0.694
91 HB3 CYS 15 2HB CYS 15 2.291 -1.150 0.392
92 H GLU 16 H GLU 16 2.910 1.016 -2.684
93 HA GLU 16 HA GLU 16 4.307 -1.254 -3.924
94 HB2 GLU 16 1HB GLU 16 4.128 1.644 -4.763
95 HB3 GLU 16 2HB GLU 16 5.112 0.436 -5.576
96 HG2 GLU 16 1HG GLU 16 3.199 -0.784 -6.266
97 HG3 GLU 16 2HG GLU 16 2.139 0.176 -5.236
98 H LYS 17 H LYS 17 4.655 1.285 -1.672
99 HA LYS 17 HA LYS 17 7.439 1.742 -1.867
100 HB2 LYS 17 1HB LYS 17 5.382 2.196 0.269
101 HB3 LYS 17 2HB LYS 17 7.087 2.447 0.620
102 HG2 LYS 17 1HG LYS 17 5.689 3.777 -1.682
103 HG3 LYS 17 2HG LYS 17 5.771 4.484 -0.066
104 HD2 LYS 17 1HD LYS 17 8.213 3.622 -1.602
105 HD3 LYS 17 2HD LYS 17 7.537 5.249 -1.712
106 HE2 LYS 17 1HE LYS 17 7.733 5.365 0.802
107 HE3 LYS 17 2HE LYS 17 8.663 3.870 0.717
108 HZ1 LYS 17 3HZ LYS 17 10.446 4.923 -0.133
109 HZ2 LYS 17 1HZ LYS 17 9.765 6.280 0.613
110 HZ3 LYS 17 2HZ LYS 17 9.529 6.017 -1.041
111 H CYS 18 H CYS 18 5.501 -0.583 -0.064
112 HA CYS 18 HA CYS 18 7.993 -1.968 0.680
113 HB2 CYS 18 1HB CYS 18 6.783 -2.763 2.727
114 HB3 CYS 18 2HB CYS 18 7.096 -1.031 2.702
115 H GLY 19 H GLY 19 4.512 -2.333 0.068
116 HA2 GLY 19 1HA GLY 19 3.800 -3.969 -1.582
117 HA3 GLY 19 2HA GLY 19 5.100 -5.011 -1.022
118 H LYS 20 H LYS 20 2.752 -3.190 0.904
119 HA LYS 20 HA LYS 20 1.878 -5.744 2.075
120 HB2 LYS 20 1HB LYS 20 2.946 -3.743 3.437
121 HB3 LYS 20 2HB LYS 20 1.304 -3.117 3.375
122 HG2 LYS 20 1HG LYS 20 1.690 -5.929 4.244
123 HG3 LYS 20 2HG LYS 20 2.142 -4.637 5.359
124 HD2 LYS 20 1HD LYS 20 -0.015 -3.916 5.613
125 HD3 LYS 20 2HD LYS 20 -0.502 -4.463 4.007
126 HE2 LYS 20 1HE LYS 20 -1.590 -5.932 5.457
127 HE3 LYS 20 2HE LYS 20 -0.169 -6.832 4.929
128 HZ1 LYS 20 3HZ LYS 20 0.894 -6.473 6.967
129 HZ2 LYS 20 1HZ LYS 20 -0.697 -6.867 7.387
130 HZ3 LYS 20 2HZ LYS 20 -0.185 -5.256 7.432
131 H GLY 21 H GLY 21 -0.347 -6.086 2.502
132 HA2 GLY 21 1HA GLY 21 -2.089 -4.604 0.655
133 HA3 GLY 21 2HA GLY 21 -2.396 -6.218 1.276
134 H TYR 22 H TYR 22 -4.020 -3.703 1.277
135 HA TYR 22 HA TYR 22 -4.676 -3.753 4.138
136 HB2 TYR 22 1HB TYR 22 -4.308 -1.303 2.417
137 HB3 TYR 22 2HB TYR 22 -5.212 -1.272 3.927
138 HD1 TYR 22 HD1 TYR 22 -4.056 -1.647 6.072
139 HD2 TYR 22 HD2 TYR 22 -1.912 -1.420 2.404
140 HE1 TYR 22 HE1 TYR 22 -1.965 -1.308 7.322
141 HE2 TYR 22 HE2 TYR 22 0.185 -1.082 3.644
142 HH TYR 22 HH TYR 22 1.014 -0.462 5.724
143 H ASN 23 H ASN 23 -6.881 -3.051 4.606
144 HA ASN 23 HA ASN 23 -8.689 -3.782 2.414
145 HB2 ASN 23 1HB ASN 23 -8.783 -5.105 4.531
146 HB3 ASN 23 2HB ASN 23 -9.283 -3.644 5.378
147 HD21 ASN 23 1HD2 ASN 23 -11.334 -2.806 5.022
148 HD22 ASN 23 2HD2 ASN 23 -12.587 -3.731 4.273
149 H SER 24 H SER 24 -8.152 -1.334 4.903
150 HA SER 24 HA SER 24 -10.279 0.318 3.749
151 HB2 SER 24 1HB SER 24 -10.496 0.205 6.103
152 HB3 SER 24 2HB SER 24 -8.766 0.438 6.355
153 HG SER 24 HG SER 24 -10.760 2.299 5.850
154 H LYS 25 H LYS 25 -9.850 2.631 3.434
155 HA LYS 25 HA LYS 25 -7.372 3.001 1.996
156 HB2 LYS 25 1HB LYS 25 -8.339 5.187 1.371
157 HB3 LYS 25 2HB LYS 25 -9.424 3.849 1.019
158 HG2 LYS 25 1HG LYS 25 -10.871 4.405 2.756
159 HG3 LYS 25 2HG LYS 25 -9.661 5.401 3.569
160 HD2 LYS 25 1HD LYS 25 -9.841 7.107 1.920
161 HD3 LYS 25 2HD LYS 25 -10.809 6.074 0.866
162 HE2 LYS 25 1HE LYS 25 -12.359 7.520 1.862
163 HE3 LYS 25 2HE LYS 25 -12.505 6.018 2.773
164 HZ1 LYS 25 3HZ LYS 25 -11.475 8.609 3.617
165 HZ2 LYS 25 1HZ LYS 25 -10.681 7.246 4.229
166 HZ3 LYS 25 2HZ LYS 25 -12.339 7.449 4.495
167 H PHE 26 H PHE 26 -8.899 4.260 4.916
168 HA PHE 26 HA PHE 26 -7.162 6.332 5.522
169 HB2 PHE 26 1HB PHE 26 -9.312 5.593 6.730
170 HB3 PHE 26 2HB PHE 26 -8.272 4.500 7.637
171 HD1 PHE 26 HD2 PHE 26 -8.658 8.086 6.735
172 HD2 PHE 26 HD1 PHE 26 -7.206 5.244 9.550
173 HE1 PHE 26 HE2 PHE 26 -8.105 9.912 8.288
174 HE2 PHE 26 HE1 PHE 26 -6.651 7.065 11.108
175 HZ PHE 26 HZ PHE 26 -7.099 9.403 10.478
176 H ASN 27 H ASN 27 -6.865 2.881 6.264
177 HA ASN 27 HA ASN 27 -4.516 3.052 7.798
178 HB2 ASN 27 1HB ASN 27 -5.364 0.727 6.061
179 HB3 ASN 27 2HB ASN 27 -4.314 0.668 7.474
180 HD21 ASN 27 1HD2 ASN 27 -5.608 -0.788 8.554
181 HD22 ASN 27 2HD2 ASN 27 -7.145 -0.358 9.216
182 H LEU 28 H LEU 28 -5.041 2.677 4.328
183 HA LEU 28 HA LEU 28 -2.328 2.247 3.640
184 HB2 LEU 28 1HB LEU 28 -4.237 1.683 2.185
185 HB3 LEU 28 2HB LEU 28 -4.548 3.402 1.959
186 HG LEU 28 HG LEU 28 -2.223 3.545 0.950
187 HD11 LEU 28 1HD1 LEU 28 -1.947 1.006 1.909
188 HD12 LEU 28 2HD1 LEU 28 -0.943 1.735 0.655
189 HD13 LEU 28 3HD1 LEU 28 -2.313 0.719 0.207
190 HD21 LEU 28 3HD2 LEU 28 -4.563 3.289 -0.213
191 HD22 LEU 28 1HD2 LEU 28 -3.913 1.720 -0.689
192 HD23 LEU 28 2HD2 LEU 28 -3.071 3.199 -1.151
193 H ASP 29 H ASP 29 -4.372 5.160 3.476
194 HA ASP 29 HA ASP 29 -2.467 6.943 2.540
195 HB2 ASP 29 1HB ASP 29 -4.700 7.512 4.501
196 HB3 ASP 29 2HB ASP 29 -3.852 8.712 3.530
197 H MET 30 H MET 30 -3.309 6.220 5.925
198 HA MET 30 HA MET 30 -1.349 7.899 7.063
199 HB2 MET 30 1HB MET 30 -2.971 5.590 8.078
200 HB3 MET 30 2HB MET 30 -1.695 6.276 9.075
201 HG2 MET 30 1HG MET 30 -3.965 7.870 7.915
202 HG3 MET 30 2HG MET 30 -3.967 7.171 9.533
203 HE1 MET 30 3HE MET 30 -4.437 10.362 9.167
204 HE2 MET 30 1HE MET 30 -2.974 11.283 8.815
205 HE3 MET 30 2HE MET 30 -3.617 10.158 7.618
206 H HIS 31 H HIS 31 -1.372 4.397 6.440
207 HA HIS 31 HA HIS 31 1.034 3.653 7.501
208 HB2 HIS 31 1HB HIS 31 -0.110 1.863 6.614
209 HB3 HIS 31 2HB HIS 31 -0.532 2.725 5.138
210 HD1 HIS 31 HD1 HIS 31 2.637 1.343 6.740
211 HD2 HIS 31 HD2 HIS 31 0.884 1.862 3.010
212 HE1 HIS 31 HE1 HIS 31 4.224 0.289 5.099
213 H GLN 32 H GLN 32 0.525 4.915 4.208
214 HA GLN 32 HA GLN 32 2.962 4.857 3.105
215 HB2 GLN 32 1HB GLN 32 0.991 7.132 3.147
216 HB3 GLN 32 2HB GLN 32 2.462 7.201 2.187
217 HG2 GLN 32 1HG GLN 32 1.783 5.424 0.817
218 HG3 GLN 32 2HG GLN 32 0.508 4.942 1.935
219 HE21 GLN 32 1HE2 GLN 32 0.272 5.514 -0.872
220 HE22 GLN 32 2HE2 GLN 32 -0.832 6.834 -1.025
221 H LYS 33 H LYS 33 1.973 7.600 5.164
222 HA LYS 33 HA LYS 33 4.197 9.057 5.376
223 HB2 LYS 33 1HB LYS 33 2.485 8.148 7.695
224 HB3 LYS 33 2HB LYS 33 3.642 9.471 7.778
225 HG2 LYS 33 1HG LYS 33 2.329 10.499 5.841
226 HG3 LYS 33 2HG LYS 33 1.077 9.319 6.236
227 HD2 LYS 33 1HD LYS 33 0.608 10.295 8.265
228 HD3 LYS 33 2HD LYS 33 2.221 10.995 8.422
229 HE2 LYS 33 1HE LYS 33 0.340 11.920 6.280
230 HE3 LYS 33 2HE LYS 33 0.224 12.555 7.920
231 HZ1 LYS 33 3HZ LYS 33 2.651 13.108 7.701
232 HZ2 LYS 33 1HZ LYS 33 1.606 14.021 6.733
233 HZ3 LYS 33 2HZ LYS 33 2.511 12.765 6.050
234 H VAL 34 H VAL 34 3.707 5.967 7.036
235 HA VAL 34 HA VAL 34 5.826 5.749 8.686
236 HB VAL 34 HB VAL 34 4.940 3.623 6.731
237 HG11 VAL 34 1HG1 VAL 34 6.711 3.521 9.152
238 HG12 VAL 34 2HG1 VAL 34 5.831 2.100 8.585
239 HG13 VAL 34 3HG1 VAL 34 7.011 2.885 7.535
240 HG21 VAL 34 3HG2 VAL 34 3.345 2.958 8.271
241 HG22 VAL 34 1HG2 VAL 34 4.159 3.762 9.614
242 HG23 VAL 34 2HG2 VAL 34 3.286 4.715 8.414
243 H HIS 35 H HIS 35 6.010 4.921 5.219
244 HA HIS 35 HA HIS 35 8.751 4.452 5.112
245 HB2 HIS 35 1HB HIS 35 7.100 5.645 2.881
246 HB3 HIS 35 2HB HIS 35 8.570 4.687 2.724
247 HD1 HIS 35 HD1 HIS 35 7.881 2.309 4.515
248 HD2 HIS 35 HD2 HIS 35 5.228 4.001 1.802
249 HE1 HIS 35 HE1 HIS 35 6.207 0.505 3.997
250 H THR 36 H THR 36 9.926 5.966 6.261
251 HA THR 36 HA THR 36 10.172 8.592 4.956
252 HB THR 36 HB THR 36 10.773 9.422 7.356
253 HG1 THR 36 HG1 THR 36 10.386 7.063 8.057
254 HG21 THR 36 3HG2 THR 36 8.086 8.990 6.140
255 HG22 THR 36 1HG2 THR 36 8.956 10.493 6.443
256 HG23 THR 36 2HG2 THR 36 8.178 9.640 7.777
257 H GLY 37 H GLY 37 12.188 9.055 4.356
258 HA2 GLY 37 1HA GLY 37 14.468 8.922 4.129
259 HA3 GLY 37 2HA GLY 37 14.499 8.638 5.863
260 H GLU 38 H GLU 38 13.008 6.588 3.403
261 HA GLU 38 HA GLU 38 13.186 4.295 3.192
262 HB2 GLU 38 1HB GLU 38 14.886 5.456 1.650
263 HB3 GLU 38 2HB GLU 38 16.104 4.914 2.795
264 HG2 GLU 38 1HG GLU 38 16.000 3.354 0.994
265 HG3 GLU 38 2HG GLU 38 15.340 2.588 2.438
266 H ARG 39 H ARG 39 12.999 4.566 5.790
267 HA ARG 39 HA ARG 39 15.233 3.772 7.330
268 HB2 ARG 39 1HB ARG 39 12.268 3.796 7.807
269 HB3 ARG 39 2HB ARG 39 13.356 3.069 8.983
270 HG2 ARG 39 1HG ARG 39 13.946 5.821 8.031
271 HG3 ARG 39 2HG ARG 39 12.613 5.584 9.163
272 HD2 ARG 39 1HD ARG 39 15.347 4.445 9.659
273 HD3 ARG 39 2HD ARG 39 14.920 6.086 10.140
274 HE ARG 39 HE ARG 39 12.943 4.559 11.208
275 HH11 ARG 39 1HH1 ARG 39 16.420 4.494 11.371
276 HH12 ARG 39 2HH1 ARG 39 16.462 3.818 12.966
277 HH21 ARG 39 1HH2 ARG 39 12.986 3.668 13.307
278 HH22 ARG 39 2HH2 ARG 39 14.508 3.347 14.066
279 HA PRO 40 HA PRO 40 15.474 -0.540 6.483
280 HB2 PRO 40 1HB PRO 40 16.692 -1.362 8.766
281 HB3 PRO 40 2HB PRO 40 17.536 -0.470 7.495
282 HG2 PRO 40 1HG PRO 40 16.385 0.534 10.069
283 HG3 PRO 40 2HG PRO 40 17.936 0.931 9.307
284 HD2 PRO 40 1HD PRO 40 15.778 2.558 9.150
285 HD3 PRO 40 2HD PRO 40 16.978 2.435 7.847
286 H SER 41 H SER 41 13.587 0.783 8.974
287 HA SER 41 HA SER 41 12.714 -1.182 10.586
288 HB2 SER 41 1HB SER 41 11.033 0.837 9.092
289 HB3 SER 41 2HB SER 41 10.400 -0.176 10.389
290 HG SER 41 HG SER 41 12.738 1.274 10.873
291 H GLY 42 H GLY 42 12.266 -3.247 10.217
292 HA2 GLY 42 1HA GLY 42 10.325 -3.945 8.162
293 HA3 GLY 42 2HA GLY 42 11.929 -4.637 7.968
294 HA PRO 43 HA PRO 43 9.127 -7.016 11.054
295 HB2 PRO 43 1HB PRO 43 8.066 -8.884 9.394
296 HB3 PRO 43 2HB PRO 43 7.269 -7.345 9.742
297 HG2 PRO 43 1HG PRO 43 8.920 -8.130 7.372
298 HG3 PRO 43 2HG PRO 43 7.400 -7.219 7.424
299 HD2 PRO 43 1HD PRO 43 9.809 -6.017 7.138
300 HD3 PRO 43 2HD PRO 43 8.454 -5.249 7.989
301 H SER 44 H SER 44 10.510 -8.268 12.128
302 HA SER 44 HA SER 44 11.937 -10.376 10.656
303 HB2 SER 44 1HB SER 44 13.548 -8.596 11.079
304 HB3 SER 44 2HB SER 44 13.114 -8.577 12.789
305 HG SER 44 HG SER 44 15.018 -9.944 11.788
306 H SER 45 H SER 45 13.123 -11.770 12.545
307 HA SER 45 HA SER 45 12.606 -13.533 13.925
308 HB2 SER 45 1HB SER 45 11.737 -11.129 15.541
309 HB3 SER 45 2HB SER 45 11.916 -12.749 16.215
310 HG SER 45 HG SER 45 14.143 -12.476 15.100
311 H GLY 46 H GLY 46 10.722 -13.586 12.061
312 HA2 GLY 46 1HA GLY 46 8.171 -13.817 13.534
313 HA3 GLY 46 2HA GLY 46 8.285 -13.465 11.816
Start of MODEL 16
1 H1 GLY 1 H GLY 1 0.650 -13.053 -0.745
2 HA2 GLY 1 1HA GLY 1 -0.441 -14.453 -2.390
3 HA3 GLY 1 2HA GLY 1 0.873 -15.606 -2.205
4 H SER 2 H SER 2 -1.103 -13.948 0.239
5 HA SER 2 HA SER 2 -1.550 -16.486 1.572
6 HB2 SER 2 1HB SER 2 -2.275 -13.642 2.301
7 HB3 SER 2 2HB SER 2 -2.694 -15.038 3.293
8 HG SER 2 HG SER 2 -0.518 -13.717 3.476
9 H SER 3 H SER 3 -3.626 -13.816 0.436
10 HA SER 3 HA SER 3 -6.099 -14.861 0.819
11 HB2 SER 3 1HB SER 3 -6.860 -13.560 -1.128
12 HB3 SER 3 2HB SER 3 -5.711 -12.640 -0.158
13 HG SER 3 HG SER 3 -5.556 -13.140 -2.714
14 H GLY 4 H GLY 4 -7.551 -16.167 -0.329
15 HA2 GLY 4 1HA GLY 4 -6.235 -18.247 -1.913
16 HA3 GLY 4 2HA GLY 4 -7.824 -18.359 -1.171
17 H SER 5 H SER 5 -7.123 -19.038 -3.876
18 HA SER 5 HA SER 5 -7.577 -17.264 -5.864
19 HB2 SER 5 1HB SER 5 -7.343 -19.857 -5.943
20 HB3 SER 5 2HB SER 5 -9.106 -19.851 -5.901
21 HG SER 5 HG SER 5 -7.387 -18.744 -7.853
22 H SER 6 H SER 6 -10.121 -18.838 -3.943
23 HA SER 6 HA SER 6 -12.185 -17.242 -5.185
24 HB2 SER 6 1HB SER 6 -12.311 -19.183 -2.864
25 HB3 SER 6 2HB SER 6 -13.708 -18.436 -3.639
26 HG SER 6 HG SER 6 -12.640 -19.426 -5.640
27 H GLY 7 H GLY 7 -13.388 -15.617 -4.221
28 HA2 GLY 7 1HA GLY 7 -13.247 -14.813 -1.546
29 HA3 GLY 7 2HA GLY 7 -12.023 -13.916 -2.433
30 H THR 8 H THR 8 -13.429 -12.115 -1.614
31 HA THR 8 HA THR 8 -15.730 -11.677 -3.401
32 HB THR 8 HB THR 8 -15.178 -10.212 -0.818
33 HG1 THR 8 HG1 THR 8 -15.714 -12.668 -0.862
34 HG21 THR 8 3HG2 THR 8 -17.620 -9.708 -1.000
35 HG22 THR 8 1HG2 THR 8 -17.600 -10.435 -2.606
36 HG23 THR 8 2HG2 THR 8 -16.641 -8.991 -2.280
37 H GLY 9 H GLY 9 -13.353 -9.682 -1.625
38 HA2 GLY 9 1HA GLY 9 -12.850 -8.214 -4.126
39 HA3 GLY 9 2HA GLY 9 -13.285 -7.326 -2.674
40 H GLU 10 H GLU 10 -10.783 -8.966 -4.382
41 HA GLU 10 HA GLU 10 -8.871 -9.395 -2.436
42 HB2 GLU 10 1HB GLU 10 -7.213 -9.238 -4.192
43 HB3 GLU 10 2HB GLU 10 -8.642 -10.053 -4.811
44 HG2 GLU 10 1HG GLU 10 -7.997 -8.601 -6.515
45 HG3 GLU 10 2HG GLU 10 -9.347 -7.790 -5.724
46 H LYS 11 H LYS 11 -7.533 -8.159 -1.252
47 HA LYS 11 HA LYS 11 -7.954 -5.669 -0.440
48 HB2 LYS 11 1HB LYS 11 -5.579 -5.426 0.080
49 HB3 LYS 11 2HB LYS 11 -6.127 -7.062 0.419
50 HG2 LYS 11 1HG LYS 11 -5.244 -7.569 -1.972
51 HG3 LYS 11 2HG LYS 11 -4.322 -6.081 -1.743
52 HD2 LYS 11 1HD LYS 11 -3.210 -6.963 0.162
53 HD3 LYS 11 2HD LYS 11 -4.303 -8.346 0.242
54 HE2 LYS 11 1HE LYS 11 -2.280 -9.144 -0.695
55 HE3 LYS 11 2HE LYS 11 -3.429 -9.017 -2.026
56 HZ1 LYS 11 3HZ LYS 11 -1.009 -8.082 -2.236
57 HZ2 LYS 11 1HZ LYS 11 -1.682 -6.730 -1.473
58 HZ3 LYS 11 2HZ LYS 11 -2.313 -7.272 -2.945
59 HA PRO 12 HA PRO 12 -7.624 -3.508 -4.427
60 HB2 PRO 12 1HB PRO 12 -9.179 -1.421 -3.655
61 HB3 PRO 12 2HB PRO 12 -9.845 -2.953 -4.233
62 HG2 PRO 12 1HG PRO 12 -9.492 -1.980 -1.424
63 HG3 PRO 12 2HG PRO 12 -10.872 -2.824 -2.150
64 HD2 PRO 12 1HD PRO 12 -9.030 -4.090 -0.621
65 HD3 PRO 12 2HD PRO 12 -9.865 -4.889 -1.969
66 H TYR 13 H TYR 13 -6.386 -2.976 -1.387
67 HA TYR 13 HA TYR 13 -5.018 -0.519 -2.270
68 HB2 TYR 13 1HB TYR 13 -5.762 -1.302 0.556
69 HB3 TYR 13 2HB TYR 13 -4.841 0.128 0.105
70 HD1 TYR 13 HD2 TYR 13 -5.944 1.977 -1.112
71 HD2 TYR 13 HD1 TYR 13 -8.143 -1.369 0.326
72 HE1 TYR 13 HE2 TYR 13 -8.035 3.246 -1.373
73 HE2 TYR 13 HE1 TYR 13 -10.240 -0.110 0.068
74 HH TYR 13 HH TYR 13 -10.315 3.035 -1.477
75 H LYS 14 H LYS 14 -3.107 -1.268 -2.988
76 HA LYS 14 HA LYS 14 -1.563 -3.015 -1.183
77 HB2 LYS 14 1HB LYS 14 -0.301 -3.663 -3.285
78 HB3 LYS 14 2HB LYS 14 -1.955 -4.247 -3.167
79 HG2 LYS 14 1HG LYS 14 -2.729 -2.628 -4.719
80 HG3 LYS 14 2HG LYS 14 -1.192 -1.761 -4.676
81 HD2 LYS 14 1HD LYS 14 -1.264 -3.035 -6.700
82 HD3 LYS 14 2HD LYS 14 -0.103 -3.805 -5.617
83 HE2 LYS 14 1HE LYS 14 -2.926 -4.733 -5.539
84 HE3 LYS 14 2HE LYS 14 -1.939 -5.197 -6.924
85 HZ1 LYS 14 3HZ LYS 14 -0.707 -6.584 -5.688
86 HZ2 LYS 14 1HZ LYS 14 -2.025 -6.556 -4.628
87 HZ3 LYS 14 2HZ LYS 14 -0.687 -5.563 -4.339
88 H CYS 15 H CYS 15 -0.038 -1.914 -0.155
89 HA CYS 15 HA CYS 15 0.842 0.652 -0.792
90 HB2 CYS 15 1HB CYS 15 1.076 -0.570 1.423
91 HB3 CYS 15 2HB CYS 15 2.473 -1.384 0.726
92 H GLU 16 H GLU 16 1.975 1.315 -2.483
93 HA GLU 16 HA GLU 16 3.604 -0.546 -3.993
94 HB2 GLU 16 1HB GLU 16 2.071 1.194 -5.027
95 HB3 GLU 16 2HB GLU 16 3.241 2.403 -4.515
96 HG2 GLU 16 1HG GLU 16 4.895 1.573 -5.957
97 HG3 GLU 16 2HG GLU 16 4.016 0.070 -6.231
98 H LYS 17 H LYS 17 4.587 -0.089 -1.410
99 HA LYS 17 HA LYS 17 7.142 1.215 -2.049
100 HB2 LYS 17 1HB LYS 17 5.536 1.540 0.489
101 HB3 LYS 17 2HB LYS 17 7.220 2.023 0.331
102 HG2 LYS 17 1HG LYS 17 4.996 3.086 -1.395
103 HG3 LYS 17 2HG LYS 17 5.583 3.877 0.070
104 HD2 LYS 17 1HD LYS 17 7.783 4.124 -0.896
105 HD3 LYS 17 2HD LYS 17 7.295 3.207 -2.324
106 HE2 LYS 17 1HE LYS 17 5.585 4.966 -2.776
107 HE3 LYS 17 2HE LYS 17 6.263 5.901 -1.444
108 HZ1 LYS 17 3HZ LYS 17 7.087 5.927 -4.069
109 HZ2 LYS 17 1HZ LYS 17 8.296 5.075 -3.246
110 HZ3 LYS 17 2HZ LYS 17 7.877 6.637 -2.752
111 H CYS 18 H CYS 18 5.540 -0.754 0.461
112 HA CYS 18 HA CYS 18 8.004 -2.349 0.664
113 HB2 CYS 18 1HB CYS 18 7.145 -3.068 2.866
114 HB3 CYS 18 2HB CYS 18 7.327 -1.320 2.766
115 H GLY 19 H GLY 19 4.470 -2.611 0.475
116 HA2 GLY 19 1HA GLY 19 3.514 -4.241 -1.050
117 HA3 GLY 19 2HA GLY 19 4.841 -5.318 -0.640
118 H LYS 20 H LYS 20 2.204 -3.554 0.987
119 HA LYS 20 HA LYS 20 1.567 -6.030 2.433
120 HB2 LYS 20 1HB LYS 20 2.050 -3.298 3.584
121 HB3 LYS 20 2HB LYS 20 0.985 -4.436 4.400
122 HG2 LYS 20 1HG LYS 20 3.877 -4.926 3.714
123 HG3 LYS 20 2HG LYS 20 3.250 -4.494 5.307
124 HD2 LYS 20 1HD LYS 20 1.790 -6.575 5.113
125 HD3 LYS 20 2HD LYS 20 2.813 -7.029 3.747
126 HE2 LYS 20 1HE LYS 20 4.057 -6.278 6.359
127 HE3 LYS 20 2HE LYS 20 3.372 -7.888 6.146
128 HZ1 LYS 20 3HZ LYS 20 5.560 -8.162 5.512
129 HZ2 LYS 20 1HZ LYS 20 5.656 -6.652 4.754
130 HZ3 LYS 20 2HZ LYS 20 4.798 -7.913 4.022
131 H GLY 21 H GLY 21 -0.629 -6.170 3.189
132 HA2 GLY 21 1HA GLY 21 -2.448 -4.503 1.571
133 HA3 GLY 21 2HA GLY 21 -2.782 -6.156 2.065
134 H TYR 22 H TYR 22 -4.143 -3.454 2.478
135 HA TYR 22 HA TYR 22 -4.505 -3.748 5.386
136 HB2 TYR 22 1HB TYR 22 -4.394 -1.212 3.753
137 HB3 TYR 22 2HB TYR 22 -5.044 -1.270 5.388
138 HD1 TYR 22 HD1 TYR 22 -3.459 -2.250 7.211
139 HD2 TYR 22 HD2 TYR 22 -2.131 -0.804 3.436
140 HE1 TYR 22 HE1 TYR 22 -1.195 -1.960 8.126
141 HE2 TYR 22 HE2 TYR 22 0.138 -0.511 4.340
142 HH TYR 22 HH TYR 22 0.944 -0.192 7.214
143 H ASN 23 H ASN 23 -5.926 -3.216 2.254
144 HA ASN 23 HA ASN 23 -8.061 -3.358 1.484
145 HB2 ASN 23 1HB ASN 23 -7.927 -5.501 2.853
146 HB3 ASN 23 2HB ASN 23 -8.777 -4.630 4.126
147 HD21 ASN 23 1HD2 ASN 23 -10.551 -5.989 4.014
148 HD22 ASN 23 2HD2 ASN 23 -11.672 -5.939 2.701
149 H SER 24 H SER 24 -7.161 -1.072 3.163
150 HA SER 24 HA SER 24 -9.687 0.259 3.336
151 HB2 SER 24 1HB SER 24 -9.384 0.874 5.785
152 HB3 SER 24 2HB SER 24 -9.895 -0.784 5.469
153 HG SER 24 HG SER 24 -7.904 -0.116 6.925
154 H LYS 25 H LYS 25 -9.117 2.051 2.295
155 HA LYS 25 HA LYS 25 -6.637 3.151 1.965
156 HB2 LYS 25 1HB LYS 25 -7.694 5.120 1.202
157 HB3 LYS 25 2HB LYS 25 -8.825 3.820 0.850
158 HG2 LYS 25 1HG LYS 25 -9.056 5.395 3.382
159 HG3 LYS 25 2HG LYS 25 -9.714 6.012 1.865
160 HD2 LYS 25 1HD LYS 25 -11.045 3.959 1.626
161 HD3 LYS 25 2HD LYS 25 -10.405 3.376 3.164
162 HE2 LYS 25 1HE LYS 25 -11.447 5.190 4.346
163 HE3 LYS 25 2HE LYS 25 -11.949 5.944 2.834
164 HZ1 LYS 25 3HZ LYS 25 -12.882 3.260 3.028
165 HZ2 LYS 25 1HZ LYS 25 -13.757 4.684 2.765
166 HZ3 LYS 25 2HZ LYS 25 -13.409 4.185 4.343
167 H PHE 26 H PHE 26 -8.741 3.421 4.729
168 HA PHE 26 HA PHE 26 -7.612 5.647 5.988
169 HB2 PHE 26 1HB PHE 26 -9.688 4.720 6.791
170 HB3 PHE 26 2HB PHE 26 -8.913 3.183 7.159
171 HD1 PHE 26 HD2 PHE 26 -8.404 6.792 7.975
172 HD2 PHE 26 HD1 PHE 26 -8.521 2.774 9.373
173 HE1 PHE 26 HE2 PHE 26 -7.945 7.578 10.261
174 HE2 PHE 26 HE1 PHE 26 -8.063 3.552 11.661
175 HZ PHE 26 HZ PHE 26 -7.773 5.957 12.108
176 H ASN 27 H ASN 27 -6.729 2.221 6.138
177 HA ASN 27 HA ASN 27 -4.598 2.659 8.010
178 HB2 ASN 27 1HB ASN 27 -5.653 0.330 6.471
179 HB3 ASN 27 2HB ASN 27 -4.012 0.232 7.104
180 HD21 ASN 27 1HD2 ASN 27 -6.988 1.665 8.389
181 HD22 ASN 27 2HD2 ASN 27 -6.984 0.768 9.866
182 H LEU 28 H LEU 28 -4.816 2.062 4.522
183 HA LEU 28 HA LEU 28 -2.065 1.967 3.992
184 HB2 LEU 28 1HB LEU 28 -3.583 1.201 2.339
185 HB3 LEU 28 2HB LEU 28 -4.421 2.752 2.296
186 HG LEU 28 HG LEU 28 -2.134 3.657 1.436
187 HD11 LEU 28 1HD1 LEU 28 -0.721 1.806 1.719
188 HD12 LEU 28 2HD1 LEU 28 -1.051 1.868 -0.012
189 HD13 LEU 28 3HD1 LEU 28 -1.890 0.695 1.003
190 HD21 LEU 28 3HD2 LEU 28 -3.804 3.895 -0.091
191 HD22 LEU 28 1HD2 LEU 28 -4.289 2.202 0.007
192 HD23 LEU 28 2HD2 LEU 28 -2.854 2.656 -0.913
193 H ASP 29 H ASP 29 -4.302 4.692 3.430
194 HA ASP 29 HA ASP 29 -2.636 6.657 2.664
195 HB2 ASP 29 1HB ASP 29 -5.047 6.983 3.032
196 HB3 ASP 29 2HB ASP 29 -4.782 6.972 4.773
197 H MET 30 H MET 30 -3.306 6.008 6.110
198 HA MET 30 HA MET 30 -1.376 7.744 7.138
199 HB2 MET 30 1HB MET 30 -2.388 5.177 8.372
200 HB3 MET 30 2HB MET 30 -1.598 6.494 9.229
201 HG2 MET 30 1HG MET 30 -4.207 6.752 7.754
202 HG3 MET 30 2HG MET 30 -4.061 6.446 9.483
203 HE1 MET 30 3HE MET 30 -2.040 9.055 10.804
204 HE2 MET 30 1HE MET 30 -3.735 9.352 11.193
205 HE3 MET 30 2HE MET 30 -3.135 7.698 11.071
206 H HIS 31 H HIS 31 -1.171 4.261 6.460
207 HA HIS 31 HA HIS 31 1.371 3.739 7.381
208 HB2 HIS 31 1HB HIS 31 -0.097 1.983 6.546
209 HB3 HIS 31 2HB HIS 31 0.023 2.626 4.911
210 HD1 HIS 31 HD1 HIS 31 2.666 1.651 7.481
211 HD2 HIS 31 HD2 HIS 31 1.632 0.979 3.514
212 HE1 HIS 31 HE1 HIS 31 4.462 0.148 6.564
213 H GLN 32 H GLN 32 0.514 4.690 4.050
214 HA GLN 32 HA GLN 32 2.872 4.823 2.801
215 HB2 GLN 32 1HB GLN 32 0.787 7.011 2.794
216 HB3 GLN 32 2HB GLN 32 2.074 6.855 1.607
217 HG2 GLN 32 1HG GLN 32 1.133 4.531 1.147
218 HG3 GLN 32 2HG GLN 32 -0.283 5.061 2.054
219 HE21 GLN 32 1HE2 GLN 32 -0.218 4.298 -0.686
220 HE22 GLN 32 2HE2 GLN 32 -0.688 5.673 -1.619
221 H LYS 33 H LYS 33 1.697 7.444 4.912
222 HA LYS 33 HA LYS 33 3.732 9.222 4.807
223 HB2 LYS 33 1HB LYS 33 2.395 8.289 7.353
224 HB3 LYS 33 2HB LYS 33 3.244 9.813 7.138
225 HG2 LYS 33 1HG LYS 33 0.976 9.176 5.323
226 HG3 LYS 33 2HG LYS 33 0.631 9.677 6.980
227 HD2 LYS 33 1HD LYS 33 2.525 11.253 5.276
228 HD3 LYS 33 2HD LYS 33 0.781 11.475 5.116
229 HE2 LYS 33 1HE LYS 33 0.565 12.359 7.229
230 HE3 LYS 33 2HE LYS 33 2.007 11.544 7.833
231 HZ1 LYS 33 3HZ LYS 33 3.109 13.418 7.495
232 HZ2 LYS 33 1HZ LYS 33 1.761 14.151 6.782
233 HZ3 LYS 33 2HZ LYS 33 2.844 13.267 5.831
234 H VAL 34 H VAL 34 3.712 6.248 6.743
235 HA VAL 34 HA VAL 34 5.986 6.424 8.195
236 HB VAL 34 HB VAL 34 5.066 4.028 6.604
237 HG11 VAL 34 1HG1 VAL 34 7.285 4.377 8.562
238 HG12 VAL 34 2HG1 VAL 34 6.377 2.863 8.557
239 HG13 VAL 34 3HG1 VAL 34 7.216 3.395 7.099
240 HG21 VAL 34 3HG2 VAL 34 4.716 4.571 9.542
241 HG22 VAL 34 1HG2 VAL 34 3.525 5.052 8.333
242 HG23 VAL 34 2HG2 VAL 34 3.918 3.347 8.555
243 H HIS 35 H HIS 35 5.965 5.075 4.888
244 HA HIS 35 HA HIS 35 8.746 4.988 4.590
245 HB2 HIS 35 1HB HIS 35 6.777 5.393 2.337
246 HB3 HIS 35 2HB HIS 35 8.352 4.607 2.262
247 HD1 HIS 35 HD1 HIS 35 8.388 2.423 4.108
248 HD2 HIS 35 HD2 HIS 35 4.809 3.559 2.329
249 HE1 HIS 35 HE1 HIS 35 6.879 0.420 4.294
250 H THR 36 H THR 36 6.416 7.533 3.868
251 HA THR 36 HA THR 36 8.011 9.271 2.414
252 HB THR 36 HB THR 36 5.955 10.096 4.471
253 HG1 THR 36 HG1 THR 36 4.443 9.661 2.976
254 HG21 THR 36 3HG2 THR 36 5.759 12.121 3.282
255 HG22 THR 36 1HG2 THR 36 6.671 11.499 1.908
256 HG23 THR 36 2HG2 THR 36 7.494 11.846 3.429
257 H GLY 37 H GLY 37 7.245 9.853 5.845
258 HA2 GLY 37 1HA GLY 37 9.798 11.241 6.130
259 HA3 GLY 37 2HA GLY 37 8.471 11.255 7.283
260 H GLU 38 H GLU 38 10.343 10.940 8.779
261 HA GLU 38 HA GLU 38 11.786 9.636 10.007
262 HB2 GLU 38 1HB GLU 38 9.367 9.080 10.699
263 HB3 GLU 38 2HB GLU 38 9.606 7.572 9.827
264 HG2 GLU 38 1HG GLU 38 11.355 6.906 11.285
265 HG3 GLU 38 2HG GLU 38 11.418 8.499 12.037
266 H ARG 39 H ARG 39 12.628 9.464 7.456
267 HA ARG 39 HA ARG 39 12.713 7.183 6.030
268 HB2 ARG 39 1HB ARG 39 14.796 9.213 6.671
269 HB3 ARG 39 2HB ARG 39 15.311 7.745 5.851
270 HG2 ARG 39 1HG ARG 39 13.500 8.223 4.149
271 HG3 ARG 39 2HG ARG 39 13.359 9.815 4.897
272 HD2 ARG 39 1HD ARG 39 15.753 10.201 4.464
273 HD3 ARG 39 2HD ARG 39 15.844 8.632 3.664
274 HE ARG 39 HE ARG 39 13.824 10.076 2.419
275 HH11 ARG 39 1HH1 ARG 39 17.269 10.286 2.874
276 HH12 ARG 39 2HH1 ARG 39 17.546 11.121 1.382
277 HH21 ARG 39 1HH2 ARG 39 14.176 11.176 0.452
278 HH22 ARG 39 2HH2 ARG 39 15.786 11.628 0.005
279 HA PRO 40 HA PRO 40 14.197 3.920 8.583
280 HB2 PRO 40 1HB PRO 40 15.116 2.244 6.655
281 HB3 PRO 40 2HB PRO 40 13.395 2.495 6.970
282 HG2 PRO 40 1HG PRO 40 15.129 3.706 4.852
283 HG3 PRO 40 2HG PRO 40 13.482 3.063 4.716
284 HD2 PRO 40 1HD PRO 40 14.000 5.714 4.904
285 HD3 PRO 40 2HD PRO 40 12.529 4.979 5.572
286 H SER 41 H SER 41 16.155 6.047 6.988
287 HA SER 41 HA SER 41 18.360 6.589 7.149
288 HB2 SER 41 1HB SER 41 17.880 5.917 9.589
289 HB3 SER 41 2HB SER 41 18.699 4.405 9.198
290 HG SER 41 HG SER 41 20.309 5.671 9.896
291 H GLY 42 H GLY 42 17.551 4.746 5.175
292 HA2 GLY 42 1HA GLY 42 19.499 3.969 3.713
293 HA3 GLY 42 2HA GLY 42 19.830 2.878 5.051
294 HA PRO 43 HA PRO 43 15.635 1.453 3.082
295 HB2 PRO 43 1HB PRO 43 15.024 2.539 0.670
296 HB3 PRO 43 2HB PRO 43 14.492 3.241 2.203
297 HG2 PRO 43 1HG PRO 43 16.796 4.024 0.459
298 HG3 PRO 43 2HG PRO 43 15.623 5.059 1.295
299 HD2 PRO 43 1HD PRO 43 18.114 4.610 2.256
300 HD3 PRO 43 2HD PRO 43 16.716 4.880 3.316
301 H SER 44 H SER 44 17.054 -0.354 2.856
302 HA SER 44 HA SER 44 18.791 -0.828 0.737
303 HB2 SER 44 1HB SER 44 18.353 -2.181 2.934
304 HB3 SER 44 2HB SER 44 17.203 -3.074 1.937
305 HG SER 44 HG SER 44 19.998 -2.816 1.601
306 H SER 45 H SER 45 18.254 -0.630 -1.340
307 HA SER 45 HA SER 45 15.827 -2.014 -2.276
308 HB2 SER 45 1HB SER 45 15.609 -0.284 -4.025
309 HB3 SER 45 2HB SER 45 15.509 0.412 -2.408
310 HG SER 45 HG SER 45 16.905 1.697 -3.497
311 H GLY 46 H GLY 46 16.045 -3.374 -3.971
312 HA2 GLY 46 1HA GLY 46 18.175 -3.217 -5.860
313 HA3 GLY 46 2HA GLY 46 18.484 -4.466 -4.663
Start of MODEL 17
1 H1 GLY 1 H GLY 1 12.638 -18.481 2.379
2 HA2 GLY 1 1HA GLY 1 11.748 -19.796 4.679
3 HA3 GLY 1 2HA GLY 1 12.462 -18.190 4.648
4 H SER 2 H SER 2 9.380 -19.675 3.630
5 HA SER 2 HA SER 2 7.998 -17.407 4.905
6 HB2 SER 2 1HB SER 2 7.430 -18.982 2.426
7 HB3 SER 2 2HB SER 2 6.077 -18.288 3.319
8 HG SER 2 HG SER 2 7.508 -16.286 3.212
9 H SER 3 H SER 3 6.039 -17.821 6.034
10 HA SER 3 HA SER 3 5.930 -20.536 7.157
11 HB2 SER 3 1HB SER 3 5.340 -17.822 8.265
12 HB3 SER 3 2HB SER 3 4.479 -19.211 8.927
13 HG SER 3 HG SER 3 6.870 -18.412 9.573
14 H GLY 4 H GLY 4 4.743 -20.138 4.669
15 HA2 GLY 4 1HA GLY 4 2.787 -20.775 3.628
16 HA3 GLY 4 2HA GLY 4 2.085 -21.035 5.217
17 H SER 5 H SER 5 0.908 -19.806 2.833
18 HA SER 5 HA SER 5 0.681 -16.989 3.489
19 HB2 SER 5 1HB SER 5 -0.604 -18.677 1.332
20 HB3 SER 5 2HB SER 5 -0.878 -16.945 1.522
21 HG SER 5 HG SER 5 1.207 -18.238 0.380
22 H SER 6 H SER 6 -1.386 -19.868 3.470
23 HA SER 6 HA SER 6 -3.318 -20.365 4.563
24 HB2 SER 6 1HB SER 6 -2.684 -17.979 6.312
25 HB3 SER 6 2HB SER 6 -3.738 -19.335 6.711
26 HG SER 6 HG SER 6 -1.270 -19.187 7.324
27 H GLY 7 H GLY 7 -3.623 -18.951 2.247
28 HA2 GLY 7 1HA GLY 7 -5.953 -18.266 1.632
29 HA3 GLY 7 2HA GLY 7 -5.794 -17.053 2.894
30 H THR 8 H THR 8 -6.090 -17.110 -0.196
31 HA THR 8 HA THR 8 -3.846 -15.986 -1.390
32 HB THR 8 HB THR 8 -6.686 -15.219 -2.072
33 HG1 THR 8 HG1 THR 8 -6.644 -17.449 -2.044
34 HG21 THR 8 3HG2 THR 8 -5.513 -15.396 -4.420
35 HG22 THR 8 1HG2 THR 8 -4.052 -15.123 -3.472
36 HG23 THR 8 2HG2 THR 8 -5.356 -13.936 -3.444
37 H GLY 9 H GLY 9 -6.565 -14.366 0.236
38 HA2 GLY 9 1HA GLY 9 -6.662 -12.316 1.279
39 HA3 GLY 9 2HA GLY 9 -4.910 -12.243 1.164
40 H GLU 10 H GLU 10 -7.931 -11.416 -0.365
41 HA GLU 10 HA GLU 10 -6.492 -9.897 -2.426
42 HB2 GLU 10 1HB GLU 10 -9.000 -9.639 -3.242
43 HB3 GLU 10 2HB GLU 10 -8.057 -11.076 -3.609
44 HG2 GLU 10 1HG GLU 10 -9.085 -12.258 -1.763
45 HG3 GLU 10 2HG GLU 10 -9.985 -10.811 -1.313
46 H LYS 11 H LYS 11 -6.460 -7.736 -2.414
47 HA LYS 11 HA LYS 11 -8.418 -6.265 -0.818
48 HB2 LYS 11 1HB LYS 11 -5.484 -5.632 -0.572
49 HB3 LYS 11 2HB LYS 11 -6.812 -5.045 0.420
50 HG2 LYS 11 1HG LYS 11 -7.106 -7.546 1.049
51 HG3 LYS 11 2HG LYS 11 -5.449 -7.700 0.463
52 HD2 LYS 11 1HD LYS 11 -4.587 -6.405 2.152
53 HD3 LYS 11 2HD LYS 11 -6.090 -5.507 2.375
54 HE2 LYS 11 1HE LYS 11 -6.019 -6.830 4.271
55 HE3 LYS 11 2HE LYS 11 -7.034 -7.781 3.188
56 HZ1 LYS 11 3HZ LYS 11 -5.006 -8.830 4.477
57 HZ2 LYS 11 1HZ LYS 11 -4.156 -8.279 3.122
58 HZ3 LYS 11 2HZ LYS 11 -5.445 -9.358 2.931
59 HA PRO 12 HA PRO 12 -8.362 -3.577 -4.303
60 HB2 PRO 12 1HB PRO 12 -9.402 -1.351 -3.149
61 HB3 PRO 12 2HB PRO 12 -10.373 -2.778 -3.531
62 HG2 PRO 12 1HG PRO 12 -9.184 -1.941 -0.914
63 HG3 PRO 12 2HG PRO 12 -10.796 -2.598 -1.252
64 HD2 PRO 12 1HD PRO 12 -8.783 -4.114 -0.262
65 HD3 PRO 12 2HD PRO 12 -10.030 -4.770 -1.343
66 H TYR 13 H TYR 13 -7.302 -2.018 -1.270
67 HA TYR 13 HA TYR 13 -5.454 -0.336 -2.765
68 HB2 TYR 13 1HB TYR 13 -5.721 -0.345 0.227
69 HB3 TYR 13 2HB TYR 13 -5.266 0.981 -0.838
70 HD1 TYR 13 HD2 TYR 13 -7.433 0.908 -2.833
71 HD2 TYR 13 HD1 TYR 13 -7.581 0.437 1.393
72 HE1 TYR 13 HE2 TYR 13 -9.757 1.713 -2.831
73 HE2 TYR 13 HE1 TYR 13 -9.905 1.240 1.407
74 HH TYR 13 HH TYR 13 -11.715 1.679 -1.506
75 H LYS 14 H LYS 14 -3.372 -0.787 -3.015
76 HA LYS 14 HA LYS 14 -2.072 -2.614 -1.112
77 HB2 LYS 14 1HB LYS 14 -0.762 -3.446 -3.178
78 HB3 LYS 14 2HB LYS 14 -2.391 -4.055 -2.917
79 HG2 LYS 14 1HG LYS 14 -3.260 -2.474 -4.551
80 HG3 LYS 14 2HG LYS 14 -1.636 -1.828 -4.799
81 HD2 LYS 14 1HD LYS 14 -2.049 -4.754 -5.137
82 HD3 LYS 14 2HD LYS 14 -2.660 -3.677 -6.395
83 HE2 LYS 14 1HE LYS 14 -0.423 -2.681 -6.603
84 HE3 LYS 14 2HE LYS 14 0.177 -3.790 -5.371
85 HZ1 LYS 14 3HZ LYS 14 0.697 -5.033 -7.149
86 HZ2 LYS 14 1HZ LYS 14 -0.426 -4.277 -8.164
87 HZ3 LYS 14 2HZ LYS 14 -0.930 -5.491 -7.101
88 H CYS 15 H CYS 15 0.046 -2.167 -0.618
89 HA CYS 15 HA CYS 15 0.972 0.486 -1.372
90 HB2 CYS 15 1HB CYS 15 0.970 -0.645 1.018
91 HB3 CYS 15 2HB CYS 15 2.509 -1.299 0.467
92 H GLU 16 H GLU 16 3.070 0.903 -2.191
93 HA GLU 16 HA GLU 16 4.195 -1.354 -3.711
94 HB2 GLU 16 1HB GLU 16 5.003 0.274 -5.326
95 HB3 GLU 16 2HB GLU 16 3.270 0.460 -5.097
96 HG2 GLU 16 1HG GLU 16 4.002 2.261 -3.347
97 HG3 GLU 16 2HG GLU 16 5.495 2.260 -4.284
98 H LYS 17 H LYS 17 4.903 1.284 -1.539
99 HA LYS 17 HA LYS 17 7.690 1.333 -1.711
100 HB2 LYS 17 1HB LYS 17 5.740 2.010 0.466
101 HB3 LYS 17 2HB LYS 17 7.468 2.064 0.783
102 HG2 LYS 17 1HG LYS 17 7.056 4.234 0.187
103 HG3 LYS 17 2HG LYS 17 7.526 3.542 -1.367
104 HD2 LYS 17 1HD LYS 17 5.367 3.569 -2.181
105 HD3 LYS 17 2HD LYS 17 4.648 3.537 -0.570
106 HE2 LYS 17 1HE LYS 17 4.935 5.802 -0.254
107 HE3 LYS 17 2HE LYS 17 6.270 5.900 -1.401
108 HZ1 LYS 17 3HZ LYS 17 3.977 5.081 -2.782
109 HZ2 LYS 17 1HZ LYS 17 4.843 6.525 -2.952
110 HZ3 LYS 17 2HZ LYS 17 3.562 6.432 -1.851
111 H CYS 18 H CYS 18 5.538 -0.718 0.197
112 HA CYS 18 HA CYS 18 7.879 -2.314 1.005
113 HB2 CYS 18 1HB CYS 18 6.483 -3.117 2.890
114 HB3 CYS 18 2HB CYS 18 6.738 -1.375 2.931
115 H GLY 19 H GLY 19 4.474 -2.526 0.010
116 HA2 GLY 19 1HA GLY 19 3.812 -4.048 -1.732
117 HA3 GLY 19 2HA GLY 19 5.105 -5.125 -1.224
118 H LYS 20 H LYS 20 2.469 -3.505 0.542
119 HA LYS 20 HA LYS 20 1.571 -6.166 1.433
120 HB2 LYS 20 1HB LYS 20 2.774 -4.516 3.114
121 HB3 LYS 20 2HB LYS 20 1.182 -3.771 3.175
122 HG2 LYS 20 1HG LYS 20 1.380 -6.713 3.547
123 HG3 LYS 20 2HG LYS 20 1.885 -5.655 4.867
124 HD2 LYS 20 1HD LYS 20 -0.429 -4.484 4.314
125 HD3 LYS 20 2HD LYS 20 -0.815 -6.093 3.699
126 HE2 LYS 20 1HE LYS 20 0.149 -6.891 5.985
127 HE3 LYS 20 2HE LYS 20 -0.160 -5.229 6.486
128 HZ1 LYS 20 3HZ LYS 20 -1.967 -7.160 6.657
129 HZ2 LYS 20 1HZ LYS 20 -2.336 -6.579 5.111
130 HZ3 LYS 20 2HZ LYS 20 -2.377 -5.533 6.440
131 H GLY 21 H GLY 21 -0.675 -6.414 1.822
132 HA2 GLY 21 1HA GLY 21 -2.297 -4.649 0.154
133 HA3 GLY 21 2HA GLY 21 -2.775 -6.222 0.777
134 H TYR 22 H TYR 22 -4.288 -3.759 0.836
135 HA TYR 22 HA TYR 22 -4.834 -3.704 3.699
136 HB2 TYR 22 1HB TYR 22 -4.394 -1.173 2.101
137 HB3 TYR 22 2HB TYR 22 -4.899 -1.259 3.785
138 HD1 TYR 22 HD2 TYR 22 -2.105 -2.180 1.506
139 HD2 TYR 22 HD1 TYR 22 -3.303 -1.286 5.489
140 HE1 TYR 22 HE2 TYR 22 0.253 -2.169 2.206
141 HE2 TYR 22 HE1 TYR 22 -0.949 -1.271 6.200
142 HH TYR 22 HH TYR 22 1.167 -1.905 5.579
143 H ASN 23 H ASN 23 -6.963 -3.364 4.195
144 HA ASN 23 HA ASN 23 -8.811 -3.412 1.937
145 HB2 ASN 23 1HB ASN 23 -8.940 -4.234 4.798
146 HB3 ASN 23 2HB ASN 23 -10.444 -3.750 4.020
147 HD21 ASN 23 1HD2 ASN 23 -10.765 -4.780 1.807
148 HD22 ASN 23 2HD2 ASN 23 -10.412 -6.468 1.700
149 H SER 24 H SER 24 -8.020 -1.484 4.772
150 HA SER 24 HA SER 24 -10.174 0.389 4.260
151 HB2 SER 24 1HB SER 24 -7.973 0.318 6.331
152 HB3 SER 24 2HB SER 24 -9.153 1.623 6.216
153 HG SER 24 HG SER 24 -10.394 0.389 7.362
154 H LYS 25 H LYS 25 -9.932 2.516 3.597
155 HA LYS 25 HA LYS 25 -7.661 3.006 1.884
156 HB2 LYS 25 1HB LYS 25 -10.188 3.615 1.513
157 HB3 LYS 25 2HB LYS 25 -9.776 5.052 2.439
158 HG2 LYS 25 1HG LYS 25 -8.193 4.221 0.032
159 HG3 LYS 25 2HG LYS 25 -9.656 5.201 -0.101
160 HD2 LYS 25 1HD LYS 25 -8.422 6.624 1.765
161 HD3 LYS 25 2HD LYS 25 -6.994 5.891 1.030
162 HE2 LYS 25 1HE LYS 25 -9.120 7.333 -0.542
163 HE3 LYS 25 2HE LYS 25 -7.675 8.123 0.088
164 HZ1 LYS 25 3HZ LYS 25 -7.658 7.234 -2.306
165 HZ2 LYS 25 1HZ LYS 25 -7.444 5.714 -1.594
166 HZ3 LYS 25 2HZ LYS 25 -6.309 6.940 -1.329
167 H PHE 26 H PHE 26 -9.179 4.770 4.588
168 HA PHE 26 HA PHE 26 -7.196 6.714 4.871
169 HB2 PHE 26 1HB PHE 26 -9.540 6.569 5.954
170 HB3 PHE 26 2HB PHE 26 -8.741 5.635 7.215
171 HD1 PHE 26 HD1 PHE 26 -6.970 6.683 8.589
172 HD2 PHE 26 HD2 PHE 26 -9.302 8.920 5.819
173 HE1 PHE 26 HE1 PHE 26 -6.284 8.768 9.701
174 HE2 PHE 26 HE2 PHE 26 -8.620 11.008 6.925
175 HZ PHE 26 HZ PHE 26 -7.108 10.935 8.868
176 H ASN 27 H ASN 27 -7.482 3.495 6.288
177 HA ASN 27 HA ASN 27 -5.410 3.627 8.141
178 HB2 ASN 27 1HB ASN 27 -7.051 1.757 7.930
179 HB3 ASN 27 2HB ASN 27 -6.188 1.210 6.495
180 HD21 ASN 27 1HD2 ASN 27 -6.387 1.083 9.856
181 HD22 ASN 27 2HD2 ASN 27 -4.926 0.212 10.159
182 H LEU 28 H LEU 28 -5.328 2.883 4.687
183 HA LEU 28 HA LEU 28 -2.611 2.151 4.548
184 HB2 LEU 28 1HB LEU 28 -4.107 1.592 2.764
185 HB3 LEU 28 2HB LEU 28 -4.481 3.291 2.481
186 HG LEU 28 HG LEU 28 -1.888 3.411 1.975
187 HD11 LEU 28 1HD1 LEU 28 -1.673 0.956 2.595
188 HD12 LEU 28 2HD1 LEU 28 -0.952 1.459 1.067
189 HD13 LEU 28 3HD1 LEU 28 -2.499 0.612 1.075
190 HD21 LEU 28 3HD2 LEU 28 -4.002 2.363 0.100
191 HD22 LEU 28 1HD2 LEU 28 -2.431 2.981 -0.410
192 HD23 LEU 28 2HD2 LEU 28 -3.580 4.050 0.396
193 H ASP 29 H ASP 29 -4.144 5.211 3.531
194 HA ASP 29 HA ASP 29 -2.037 6.739 2.880
195 HB2 ASP 29 1HB ASP 29 -3.994 7.934 2.768
196 HB3 ASP 29 2HB ASP 29 -4.562 7.356 4.332
197 H MET 30 H MET 30 -3.136 6.300 6.242
198 HA MET 30 HA MET 30 -1.137 7.790 7.481
199 HB2 MET 30 1HB MET 30 -2.610 5.354 8.497
200 HB3 MET 30 2HB MET 30 -1.638 6.422 9.500
201 HG2 MET 30 1HG MET 30 -3.238 8.252 8.459
202 HG3 MET 30 2HG MET 30 -4.303 6.859 8.284
203 HE1 MET 30 3HE MET 30 -4.282 9.753 10.419
204 HE2 MET 30 1HE MET 30 -3.542 9.301 11.955
205 HE3 MET 30 2HE MET 30 -2.565 9.352 10.487
206 H HIS 31 H HIS 31 -1.173 4.395 6.502
207 HA HIS 31 HA HIS 31 1.274 3.662 7.695
208 HB2 HIS 31 1HB HIS 31 -0.080 1.864 7.053
209 HB3 HIS 31 2HB HIS 31 -0.372 2.532 5.450
210 HD1 HIS 31 HD1 HIS 31 2.675 1.294 7.383
211 HD2 HIS 31 HD2 HIS 31 1.027 1.206 3.569
212 HE1 HIS 31 HE1 HIS 31 4.251 -0.095 6.001
213 H GLN 32 H GLN 32 0.477 4.961 4.507
214 HA GLN 32 HA GLN 32 2.867 4.662 3.187
215 HB2 GLN 32 1HB GLN 32 0.851 6.897 3.119
216 HB3 GLN 32 2HB GLN 32 2.254 6.880 2.060
217 HG2 GLN 32 1HG GLN 32 0.480 4.492 2.152
218 HG3 GLN 32 2HG GLN 32 -0.041 5.923 1.264
219 HE21 GLN 32 1HE2 GLN 32 0.442 3.442 0.075
220 HE22 GLN 32 2HE2 GLN 32 1.796 3.597 -0.986
221 H LYS 33 H LYS 33 1.943 7.305 5.376
222 HA LYS 33 HA LYS 33 4.104 8.954 5.207
223 HB2 LYS 33 1HB LYS 33 2.455 8.123 7.581
224 HB3 LYS 33 2HB LYS 33 3.755 9.296 7.744
225 HG2 LYS 33 1HG LYS 33 2.631 10.647 5.955
226 HG3 LYS 33 2HG LYS 33 1.266 9.534 6.075
227 HD2 LYS 33 1HD LYS 33 2.323 10.829 8.549
228 HD3 LYS 33 2HD LYS 33 1.295 11.760 7.457
229 HE2 LYS 33 1HE LYS 33 0.466 9.034 8.376
230 HE3 LYS 33 2HE LYS 33 0.213 10.440 9.409
231 HZ1 LYS 33 3HZ LYS 33 -0.837 11.400 7.234
232 HZ2 LYS 33 1HZ LYS 33 -1.738 10.397 8.256
233 HZ3 LYS 33 2HZ LYS 33 -1.044 9.766 6.849
234 H VAL 34 H VAL 34 3.896 5.930 7.033
235 HA VAL 34 HA VAL 34 6.230 5.962 8.459
236 HB VAL 34 HB VAL 34 5.124 3.587 6.955
237 HG11 VAL 34 1HG1 VAL 34 6.934 3.695 9.366
238 HG12 VAL 34 2HG1 VAL 34 6.276 2.235 8.624
239 HG13 VAL 34 3HG1 VAL 34 7.420 3.241 7.733
240 HG21 VAL 34 3HG2 VAL 34 4.417 4.870 9.561
241 HG22 VAL 34 1HG2 VAL 34 3.360 4.254 8.290
242 HG23 VAL 34 2HG2 VAL 34 4.212 3.131 9.351
243 H HIS 35 H HIS 35 5.825 5.382 5.015
244 HA HIS 35 HA HIS 35 8.571 4.649 4.592
245 HB2 HIS 35 1HB HIS 35 6.470 5.470 2.576
246 HB3 HIS 35 2HB HIS 35 8.003 4.682 2.215
247 HD1 HIS 35 HD1 HIS 35 7.947 2.450 4.330
248 HD2 HIS 35 HD2 HIS 35 4.703 3.496 1.954
249 HE1 HIS 35 HE1 HIS 35 6.474 0.413 4.269
250 H THR 36 H THR 36 6.772 7.290 3.034
251 HA THR 36 HA THR 36 8.918 8.838 2.309
252 HB THR 36 HB THR 36 6.511 9.232 1.676
253 HG1 THR 36 HG1 THR 36 8.008 10.790 1.095
254 HG21 THR 36 3HG2 THR 36 6.027 9.399 4.325
255 HG22 THR 36 1HG2 THR 36 4.989 10.122 3.098
256 HG23 THR 36 2HG2 THR 36 6.188 11.110 3.931
257 H GLY 37 H GLY 37 10.176 10.401 3.236
258 HA2 GLY 37 1HA GLY 37 10.134 12.057 5.204
259 HA3 GLY 37 2HA GLY 37 9.997 10.595 6.169
260 H GLU 38 H GLU 38 11.765 9.031 6.029
261 HA GLU 38 HA GLU 38 14.298 10.370 6.157
262 HB2 GLU 38 1HB GLU 38 13.515 8.446 7.639
263 HB3 GLU 38 2HB GLU 38 13.850 7.392 6.273
264 HG2 GLU 38 1HG GLU 38 15.682 7.458 7.908
265 HG3 GLU 38 2HG GLU 38 16.174 8.001 6.304
266 H ARG 39 H ARG 39 15.032 11.032 4.200
267 HA ARG 39 HA ARG 39 14.766 10.141 1.714
268 HB2 ARG 39 1HB ARG 39 17.439 10.848 2.940
269 HB3 ARG 39 2HB ARG 39 17.080 10.840 1.219
270 HG2 ARG 39 1HG ARG 39 15.559 12.551 3.159
271 HG3 ARG 39 2HG ARG 39 17.060 13.085 2.399
272 HD2 ARG 39 1HD ARG 39 14.620 12.149 0.895
273 HD3 ARG 39 2HD ARG 39 15.002 13.839 1.220
274 HE ARG 39 HE ARG 39 17.230 12.777 -0.010
275 HH11 ARG 39 1HH1 ARG 39 13.866 13.221 -0.788
276 HH12 ARG 39 2HH1 ARG 39 14.145 13.373 -2.491
277 HH21 ARG 39 1HH2 ARG 39 17.610 12.976 -2.251
278 HH22 ARG 39 2HH2 ARG 39 16.275 13.233 -3.322
279 HA PRO 40 HA PRO 40 15.988 5.806 2.333
280 HB2 PRO 40 1HB PRO 40 14.578 4.891 0.202
281 HB3 PRO 40 2HB PRO 40 13.844 5.195 1.781
282 HG2 PRO 40 1HG PRO 40 13.845 6.915 -0.670
283 HG3 PRO 40 2HG PRO 40 12.514 6.559 0.446
284 HD2 PRO 40 1HD PRO 40 13.926 8.867 0.552
285 HD3 PRO 40 2HD PRO 40 13.235 8.103 1.998
286 H SER 41 H SER 41 18.170 6.257 1.757
287 HA SER 41 HA SER 41 18.816 6.439 -1.079
288 HB2 SER 41 1HB SER 41 20.350 6.822 1.465
289 HB3 SER 41 2HB SER 41 21.226 6.484 -0.027
290 HG SER 41 HG SER 41 20.349 8.323 -0.935
291 H GLY 42 H GLY 42 17.646 4.059 -0.630
292 HA2 GLY 42 1HA GLY 42 18.733 2.071 -1.777
293 HA3 GLY 42 2HA GLY 42 19.875 2.133 -0.443
294 HA PRO 43 HA PRO 43 15.797 -0.251 0.524
295 HB2 PRO 43 1HB PRO 43 16.392 -2.738 -0.389
296 HB3 PRO 43 2HB PRO 43 15.547 -1.532 -1.367
297 HG2 PRO 43 1HG PRO 43 18.441 -2.298 -1.389
298 HG3 PRO 43 2HG PRO 43 17.356 -1.985 -2.756
299 HD2 PRO 43 1HD PRO 43 19.132 -0.150 -1.856
300 HD3 PRO 43 2HD PRO 43 17.567 0.302 -2.563
301 H SER 44 H SER 44 15.619 -1.578 2.329
302 HA SER 44 HA SER 44 17.959 -1.770 3.964
303 HB2 SER 44 1HB SER 44 15.565 -1.319 4.752
304 HB3 SER 44 2HB SER 44 15.291 -3.050 4.557
305 HG SER 44 HG SER 44 16.884 -3.444 6.084
306 H SER 45 H SER 45 15.821 -4.128 2.392
307 HA SER 45 HA SER 45 17.507 -6.337 3.211
308 HB2 SER 45 1HB SER 45 14.914 -6.336 2.937
309 HB3 SER 45 2HB SER 45 15.264 -6.572 1.225
310 HG SER 45 HG SER 45 15.637 -8.292 3.377
311 H GLY 46 H GLY 46 16.494 -4.860 0.129
312 HA2 GLY 46 1HA GLY 46 18.424 -4.436 -1.424
313 HA3 GLY 46 2HA GLY 46 18.864 -6.110 -1.119
Start of MODEL 18
1 H1 GLY 1 H GLY 1 6.231 1.458 -8.943
2 HA2 GLY 1 1HA GLY 1 5.262 1.511 -11.482
3 HA3 GLY 1 2HA GLY 1 6.619 2.627 -11.548
4 H SER 2 H SER 2 5.794 -0.672 -10.506
5 HA SER 2 HA SER 2 8.303 -1.597 -11.697
6 HB2 SER 2 1HB SER 2 8.343 -1.215 -9.077
7 HB3 SER 2 2HB SER 2 7.515 -2.772 -9.064
8 HG SER 2 HG SER 2 9.262 -3.729 -9.929
9 H SER 3 H SER 3 8.347 -4.078 -11.700
10 HA SER 3 HA SER 3 5.949 -4.972 -12.982
11 HB2 SER 3 1HB SER 3 8.574 -6.308 -12.327
12 HB3 SER 3 2HB SER 3 7.240 -7.183 -13.080
13 HG SER 3 HG SER 3 7.516 -6.084 -14.892
14 H GLY 4 H GLY 4 7.728 -6.125 -10.107
15 HA2 GLY 4 1HA GLY 4 7.003 -7.213 -8.221
16 HA3 GLY 4 2HA GLY 4 5.456 -6.425 -8.492
17 H SER 5 H SER 5 4.277 -8.227 -7.829
18 HA SER 5 HA SER 5 4.502 -10.608 -9.543
19 HB2 SER 5 1HB SER 5 3.365 -11.834 -7.757
20 HB3 SER 5 2HB SER 5 4.789 -11.012 -7.120
21 HG SER 5 HG SER 5 2.323 -10.815 -6.254
22 H SER 6 H SER 6 2.380 -11.757 -9.915
23 HA SER 6 HA SER 6 0.646 -10.129 -11.366
24 HB2 SER 6 1HB SER 6 -0.714 -12.065 -11.674
25 HB3 SER 6 2HB SER 6 0.950 -12.641 -11.578
26 HG SER 6 HG SER 6 -1.142 -12.906 -9.738
27 H GLY 7 H GLY 7 -1.493 -9.439 -10.999
28 HA2 GLY 7 1HA GLY 7 -1.976 -8.487 -8.350
29 HA3 GLY 7 2HA GLY 7 -3.046 -8.304 -9.732
30 H THR 8 H THR 8 -1.874 -10.859 -7.540
31 HA THR 8 HA THR 8 -4.353 -12.326 -7.848
32 HB THR 8 HB THR 8 -2.261 -13.581 -7.685
33 HG1 THR 8 HG1 THR 8 -4.296 -13.870 -5.787
34 HG21 THR 8 3HG2 THR 8 -2.072 -12.527 -4.862
35 HG22 THR 8 1HG2 THR 8 -1.070 -11.982 -6.207
36 HG23 THR 8 2HG2 THR 8 -0.963 -13.651 -5.646
37 H GLY 9 H GLY 9 -2.612 -10.687 -5.209
38 HA2 GLY 9 1HA GLY 9 -4.095 -11.105 -3.026
39 HA3 GLY 9 2HA GLY 9 -3.531 -9.492 -3.437
40 H GLU 10 H GLU 10 -6.075 -10.708 -2.204
41 HA GLU 10 HA GLU 10 -8.054 -9.570 -4.042
42 HB2 GLU 10 1HB GLU 10 -8.292 -11.383 -1.648
43 HB3 GLU 10 2HB GLU 10 -9.691 -10.605 -2.374
44 HG2 GLU 10 1HG GLU 10 -9.744 -12.600 -3.457
45 HG3 GLU 10 2HG GLU 10 -8.739 -11.678 -4.573
46 H LYS 11 H LYS 11 -6.800 -7.504 -3.239
47 HA LYS 11 HA LYS 11 -8.485 -6.320 -1.150
48 HB2 LYS 11 1HB LYS 11 -6.458 -5.068 -0.326
49 HB3 LYS 11 2HB LYS 11 -6.472 -6.789 0.033
50 HG2 LYS 11 1HG LYS 11 -5.097 -5.837 -2.431
51 HG3 LYS 11 2HG LYS 11 -4.312 -5.627 -0.864
52 HD2 LYS 11 1HD LYS 11 -4.867 -8.132 -0.520
53 HD3 LYS 11 2HD LYS 11 -5.082 -8.159 -2.272
54 HE2 LYS 11 1HE LYS 11 -2.598 -7.326 -0.777
55 HE3 LYS 11 2HE LYS 11 -2.821 -8.819 -1.688
56 HZ1 LYS 11 3HZ LYS 11 -1.636 -6.770 -2.753
57 HZ2 LYS 11 1HZ LYS 11 -3.220 -6.261 -3.065
58 HZ3 LYS 11 2HZ LYS 11 -2.671 -7.739 -3.677
59 HA PRO 12 HA PRO 12 -8.983 -3.115 -4.131
60 HB2 PRO 12 1HB PRO 12 -9.861 -1.147 -2.479
61 HB3 PRO 12 2HB PRO 12 -10.865 -2.523 -2.953
62 HG2 PRO 12 1HG PRO 12 -9.310 -2.091 -0.431
63 HG3 PRO 12 2HG PRO 12 -10.948 -2.738 -0.639
64 HD2 PRO 12 1HD PRO 12 -8.797 -4.328 -0.220
65 HD3 PRO 12 2HD PRO 12 -10.184 -4.837 -1.205
66 H TYR 13 H TYR 13 -7.193 -2.436 -1.154
67 HA TYR 13 HA TYR 13 -5.668 -0.367 -2.586
68 HB2 TYR 13 1HB TYR 13 -5.914 -0.848 0.391
69 HB3 TYR 13 2HB TYR 13 -5.002 0.453 -0.365
70 HD1 TYR 13 HD2 TYR 13 -6.213 2.258 -1.583
71 HD2 TYR 13 HD1 TYR 13 -8.271 -0.693 0.689
72 HE1 TYR 13 HE2 TYR 13 -8.218 3.681 -1.562
73 HE2 TYR 13 HE1 TYR 13 -10.282 0.722 0.716
74 HH TYR 13 HH TYR 13 -10.257 3.969 -0.130
75 H LYS 14 H LYS 14 -3.333 -0.200 -1.831
76 HA LYS 14 HA LYS 14 -2.002 -2.491 -0.827
77 HB2 LYS 14 1HB LYS 14 -0.918 -3.304 -2.813
78 HB3 LYS 14 2HB LYS 14 -2.656 -3.333 -3.083
79 HG2 LYS 14 1HG LYS 14 -2.444 -1.183 -4.308
80 HG3 LYS 14 2HG LYS 14 -0.691 -1.311 -4.137
81 HD2 LYS 14 1HD LYS 14 -1.021 -3.655 -5.211
82 HD3 LYS 14 2HD LYS 14 -2.568 -2.997 -5.749
83 HE2 LYS 14 1HE LYS 14 -1.424 -1.171 -6.871
84 HE3 LYS 14 2HE LYS 14 0.130 -1.754 -6.279
85 HZ1 LYS 14 3HZ LYS 14 -0.166 -2.463 -8.529
86 HZ2 LYS 14 1HZ LYS 14 -1.677 -3.141 -8.182
87 HZ3 LYS 14 2HZ LYS 14 -0.275 -3.826 -7.532
88 H CYS 15 H CYS 15 0.431 -2.295 -1.172
89 HA CYS 15 HA CYS 15 1.208 0.535 -1.419
90 HB2 CYS 15 1HB CYS 15 1.118 -0.087 0.956
91 HB3 CYS 15 2HB CYS 15 2.209 -1.434 0.649
92 H GLU 16 H GLU 16 3.017 0.945 -2.570
93 HA GLU 16 HA GLU 16 4.438 -1.382 -3.677
94 HB2 GLU 16 1HB GLU 16 3.980 1.389 -4.777
95 HB3 GLU 16 2HB GLU 16 5.134 0.265 -5.480
96 HG2 GLU 16 1HG GLU 16 2.251 -0.459 -5.100
97 HG3 GLU 16 2HG GLU 16 2.822 0.399 -6.531
98 H LYS 17 H LYS 17 5.001 -0.103 -1.099
99 HA LYS 17 HA LYS 17 7.723 0.890 -1.643
100 HB2 LYS 17 1HB LYS 17 5.810 1.540 0.598
101 HB3 LYS 17 2HB LYS 17 7.525 1.926 0.673
102 HG2 LYS 17 1HG LYS 17 6.480 3.893 -0.043
103 HG3 LYS 17 2HG LYS 17 7.186 3.190 -1.501
104 HD2 LYS 17 1HD LYS 17 5.049 2.327 -2.185
105 HD3 LYS 17 2HD LYS 17 4.312 2.822 -0.659
106 HE2 LYS 17 1HE LYS 17 3.669 4.478 -2.182
107 HE3 LYS 17 2HE LYS 17 5.016 5.195 -1.300
108 HZ1 LYS 17 3HZ LYS 17 6.176 5.387 -3.165
109 HZ2 LYS 17 1HZ LYS 17 4.782 4.956 -4.022
110 HZ3 LYS 17 2HZ LYS 17 5.913 3.773 -3.597
111 H CYS 18 H CYS 18 5.737 -1.099 0.508
112 HA CYS 18 HA CYS 18 8.192 -2.473 1.387
113 HB2 CYS 18 1HB CYS 18 6.802 -3.187 3.373
114 HB3 CYS 18 2HB CYS 18 7.172 -1.468 3.293
115 H GLY 19 H GLY 19 4.731 -3.009 0.722
116 HA2 GLY 19 1HA GLY 19 4.231 -4.757 -0.957
117 HA3 GLY 19 2HA GLY 19 5.449 -5.739 -0.156
118 H LYS 20 H LYS 20 2.482 -3.945 0.682
119 HA LYS 20 HA LYS 20 1.476 -6.346 2.013
120 HB2 LYS 20 1HB LYS 20 1.572 -3.630 3.339
121 HB3 LYS 20 2HB LYS 20 0.806 -5.068 4.001
122 HG2 LYS 20 1HG LYS 20 3.147 -6.132 3.795
123 HG3 LYS 20 2HG LYS 20 3.715 -4.465 3.666
124 HD2 LYS 20 1HD LYS 20 2.508 -3.972 5.798
125 HD3 LYS 20 2HD LYS 20 2.166 -5.698 5.941
126 HE2 LYS 20 1HE LYS 20 4.934 -4.523 5.721
127 HE3 LYS 20 2HE LYS 20 4.149 -4.934 7.245
128 HZ1 LYS 20 3HZ LYS 20 4.614 -7.078 6.968
129 HZ2 LYS 20 1HZ LYS 20 5.675 -6.604 5.739
130 HZ3 LYS 20 2HZ LYS 20 4.100 -7.087 5.356
131 H GLY 21 H GLY 21 -0.824 -6.334 2.354
132 HA2 GLY 21 1HA GLY 21 -2.198 -4.481 0.510
133 HA3 GLY 21 2HA GLY 21 -2.718 -6.128 0.834
134 H TYR 22 H TYR 22 -3.834 -3.246 1.209
135 HA TYR 22 HA TYR 22 -4.800 -3.693 3.958
136 HB2 TYR 22 1HB TYR 22 -4.605 -0.999 2.612
137 HB3 TYR 22 2HB TYR 22 -4.922 -1.335 4.310
138 HD1 TYR 22 HD1 TYR 22 -2.754 -3.493 4.601
139 HD2 TYR 22 HD2 TYR 22 -2.713 0.419 2.929
140 HE1 TYR 22 HE1 TYR 22 -0.349 -3.317 5.087
141 HE2 TYR 22 HE2 TYR 22 -0.308 0.605 3.409
142 HH TYR 22 HH TYR 22 1.514 -2.112 4.751
143 H ASN 23 H ASN 23 -6.985 -3.215 4.389
144 HA ASN 23 HA ASN 23 -8.701 -3.454 2.035
145 HB2 ASN 23 1HB ASN 23 -8.836 -4.968 4.136
146 HB3 ASN 23 2HB ASN 23 -9.654 -3.600 4.883
147 HD21 ASN 23 1HD2 ASN 23 -10.131 -6.411 3.290
148 HD22 ASN 23 2HD2 ASN 23 -11.702 -6.118 2.634
149 H SER 24 H SER 24 -8.471 -1.523 5.016
150 HA SER 24 HA SER 24 -10.500 0.318 4.173
151 HB2 SER 24 1HB SER 24 -10.140 1.428 6.225
152 HB3 SER 24 2HB SER 24 -9.834 -0.270 6.586
153 HG SER 24 HG SER 24 -8.201 1.085 7.433
154 H LYS 25 H LYS 25 -10.055 2.692 4.058
155 HA LYS 25 HA LYS 25 -7.886 3.146 2.185
156 HB2 LYS 25 1HB LYS 25 -10.270 4.005 1.895
157 HB3 LYS 25 2HB LYS 25 -9.895 5.176 3.153
158 HG2 LYS 25 1HG LYS 25 -8.045 4.984 0.841
159 HG3 LYS 25 2HG LYS 25 -9.622 5.737 0.588
160 HD2 LYS 25 1HD LYS 25 -8.097 6.586 2.981
161 HD3 LYS 25 2HD LYS 25 -7.473 7.101 1.413
162 HE2 LYS 25 1HE LYS 25 -8.898 8.828 1.780
163 HE3 LYS 25 2HE LYS 25 -10.045 7.705 1.051
164 HZ1 LYS 25 3HZ LYS 25 -11.139 8.373 2.943
165 HZ2 LYS 25 1HZ LYS 25 -9.732 8.458 3.878
166 HZ3 LYS 25 2HZ LYS 25 -10.395 6.953 3.484
167 H PHE 26 H PHE 26 -9.061 4.748 5.150
168 HA PHE 26 HA PHE 26 -7.085 6.559 5.583
169 HB2 PHE 26 1HB PHE 26 -8.790 6.607 7.165
170 HB3 PHE 26 2HB PHE 26 -8.690 4.876 7.473
171 HD1 PHE 26 HD2 PHE 26 -6.207 7.660 7.595
172 HD2 PHE 26 HD1 PHE 26 -8.132 4.473 9.656
173 HE1 PHE 26 HE2 PHE 26 -4.807 8.097 9.571
174 HE2 PHE 26 HE1 PHE 26 -6.736 4.905 11.636
175 HZ PHE 26 HZ PHE 26 -5.070 6.718 11.594
176 H ASN 27 H ASN 27 -7.005 3.209 6.806
177 HA ASN 27 HA ASN 27 -4.590 3.107 8.013
178 HB2 ASN 27 1HB ASN 27 -6.185 1.190 7.703
179 HB3 ASN 27 2HB ASN 27 -5.529 0.978 6.083
180 HD21 ASN 27 1HD2 ASN 27 -5.010 -1.169 6.857
181 HD22 ASN 27 2HD2 ASN 27 -3.548 -1.416 7.745
182 H LEU 28 H LEU 28 -5.006 2.384 4.541
183 HA LEU 28 HA LEU 28 -2.357 2.174 3.834
184 HB2 LEU 28 1HB LEU 28 -4.186 1.658 2.321
185 HB3 LEU 28 2HB LEU 28 -4.615 3.365 2.231
186 HG LEU 28 HG LEU 28 -2.345 3.757 1.193
187 HD11 LEU 28 1HD1 LEU 28 -2.398 0.760 0.880
188 HD12 LEU 28 2HD1 LEU 28 -1.329 1.647 1.966
189 HD13 LEU 28 3HD1 LEU 28 -1.197 1.871 0.221
190 HD21 LEU 28 3HD2 LEU 28 -3.196 2.371 -0.960
191 HD22 LEU 28 1HD2 LEU 28 -3.879 3.914 -0.448
192 HD23 LEU 28 2HD2 LEU 28 -4.675 2.406 0.002
193 H ASP 29 H ASP 29 -4.258 5.074 4.362
194 HA ASP 29 HA ASP 29 -2.353 6.898 3.292
195 HB2 ASP 29 1HB ASP 29 -4.849 7.301 3.722
196 HB3 ASP 29 2HB ASP 29 -4.396 7.568 5.403
197 H MET 30 H MET 30 -3.203 6.008 6.638
198 HA MET 30 HA MET 30 -1.202 7.550 7.871
199 HB2 MET 30 1HB MET 30 -1.905 6.617 9.842
200 HB3 MET 30 2HB MET 30 -3.300 6.256 8.835
201 HG2 MET 30 1HG MET 30 -2.544 4.005 8.496
202 HG3 MET 30 2HG MET 30 -1.035 4.344 9.340
203 HE1 MET 30 3HE MET 30 -0.764 3.450 11.782
204 HE2 MET 30 1HE MET 30 -0.980 5.200 11.819
205 HE3 MET 30 2HE MET 30 -1.817 4.184 12.993
206 H HIS 31 H HIS 31 -1.120 4.455 6.315
207 HA HIS 31 HA HIS 31 1.379 3.632 7.485
208 HB2 HIS 31 1HB HIS 31 0.013 1.832 6.848
209 HB3 HIS 31 2HB HIS 31 -0.374 2.558 5.291
210 HD1 HIS 31 HD1 HIS 31 2.470 0.828 7.080
211 HD2 HIS 31 HD2 HIS 31 1.281 1.832 3.228
212 HE1 HIS 31 HE1 HIS 31 4.087 -0.342 5.550
213 H GLN 32 H GLN 32 0.319 5.039 4.421
214 HA GLN 32 HA GLN 32 2.634 4.886 2.942
215 HB2 GLN 32 1HB GLN 32 0.359 6.801 3.040
216 HB3 GLN 32 2HB GLN 32 1.787 7.286 2.134
217 HG2 GLN 32 1HG GLN 32 0.471 4.636 1.673
218 HG3 GLN 32 2HG GLN 32 -0.101 6.104 0.881
219 HE21 GLN 32 1HE2 GLN 32 0.475 5.728 -1.174
220 HE22 GLN 32 2HE2 GLN 32 2.095 5.461 -1.709
221 H LYS 33 H LYS 33 1.709 7.489 5.189
222 HA LYS 33 HA LYS 33 3.775 9.218 4.974
223 HB2 LYS 33 1HB LYS 33 3.313 9.959 7.140
224 HB3 LYS 33 2HB LYS 33 1.807 9.199 6.642
225 HG2 LYS 33 1HG LYS 33 2.670 7.108 7.817
226 HG3 LYS 33 2HG LYS 33 3.881 8.166 8.545
227 HD2 LYS 33 1HD LYS 33 2.103 9.567 9.471
228 HD3 LYS 33 2HD LYS 33 0.889 8.520 8.733
229 HE2 LYS 33 1HE LYS 33 0.989 7.752 10.922
230 HE3 LYS 33 2HE LYS 33 2.038 6.630 10.057
231 HZ1 LYS 33 3HZ LYS 33 3.918 8.142 10.750
232 HZ2 LYS 33 1HZ LYS 33 3.198 7.235 11.984
233 HZ3 LYS 33 2HZ LYS 33 2.827 8.877 11.814
234 H VAL 34 H VAL 34 3.886 6.034 6.438
235 HA VAL 34 HA VAL 34 6.265 6.125 7.829
236 HB VAL 34 HB VAL 34 5.249 3.830 6.146
237 HG11 VAL 34 1HG1 VAL 34 6.727 3.142 8.538
238 HG12 VAL 34 2HG1 VAL 34 6.948 2.589 6.877
239 HG13 VAL 34 3HG1 VAL 34 7.703 4.090 7.415
240 HG21 VAL 34 3HG2 VAL 34 4.837 4.387 9.082
241 HG22 VAL 34 1HG2 VAL 34 3.638 4.682 7.823
242 HG23 VAL 34 2HG2 VAL 34 4.178 3.037 8.158
243 H HIS 35 H HIS 35 5.806 5.408 4.374
244 HA HIS 35 HA HIS 35 8.647 5.294 3.897
245 HB2 HIS 35 1HB HIS 35 6.483 5.454 1.801
246 HB3 HIS 35 2HB HIS 35 8.097 4.767 1.644
247 HD1 HIS 35 HD1 HIS 35 8.474 2.565 3.273
248 HD2 HIS 35 HD2 HIS 35 4.573 3.605 2.293
249 HE1 HIS 35 HE1 HIS 35 7.099 0.507 3.714
250 H THR 36 H THR 36 9.049 7.469 4.780
251 HA THR 36 HA THR 36 9.225 9.389 2.646
252 HB THR 36 HB THR 36 7.621 10.139 5.099
253 HG1 THR 36 HG1 THR 36 6.387 8.887 3.650
254 HG21 THR 36 3HG2 THR 36 7.674 12.297 4.414
255 HG22 THR 36 1HG2 THR 36 7.691 11.867 2.704
256 HG23 THR 36 2HG2 THR 36 9.180 11.794 3.647
257 H GLY 37 H GLY 37 10.944 10.723 2.908
258 HA2 GLY 37 1HA GLY 37 12.687 10.212 5.151
259 HA3 GLY 37 2HA GLY 37 13.034 11.243 3.771
260 H GLU 38 H GLU 38 13.860 12.144 6.139
261 HA GLU 38 HA GLU 38 12.115 13.579 7.744
262 HB2 GLU 38 1HB GLU 38 14.969 14.208 6.977
263 HB3 GLU 38 2HB GLU 38 14.090 15.031 8.258
264 HG2 GLU 38 1HG GLU 38 14.490 12.057 8.229
265 HG3 GLU 38 2HG GLU 38 15.649 13.169 8.957
266 H ARG 39 H ARG 39 14.006 14.835 4.991
267 HA ARG 39 HA ARG 39 13.267 17.396 4.824
268 HB2 ARG 39 1HB ARG 39 14.520 15.863 3.108
269 HB3 ARG 39 2HB ARG 39 12.946 15.769 2.330
270 HG2 ARG 39 1HG ARG 39 12.900 18.214 2.150
271 HG3 ARG 39 2HG ARG 39 14.497 18.287 2.898
272 HD2 ARG 39 1HD ARG 39 15.358 16.874 1.036
273 HD3 ARG 39 2HD ARG 39 13.774 16.998 0.270
274 HE ARG 39 HE ARG 39 14.669 19.584 0.796
275 HH11 ARG 39 1HH1 ARG 39 15.547 16.856 -1.180
276 HH12 ARG 39 2HH1 ARG 39 16.260 17.824 -2.428
277 HH21 ARG 39 1HH2 ARG 39 15.605 20.869 -0.840
278 HH22 ARG 39 2HH2 ARG 39 16.293 20.106 -2.233
279 HA PRO 40 HA PRO 40 8.851 17.560 4.771
280 HB2 PRO 40 1HB PRO 40 8.597 20.156 4.018
281 HB3 PRO 40 2HB PRO 40 9.081 19.672 5.647
282 HG2 PRO 40 1HG PRO 40 10.782 20.579 3.356
283 HG3 PRO 40 2HG PRO 40 10.887 21.019 5.071
284 HD2 PRO 40 1HD PRO 40 12.521 19.182 3.935
285 HD3 PRO 40 2HD PRO 40 12.001 19.080 5.629
286 H SER 41 H SER 41 7.182 17.448 3.305
287 HA SER 41 HA SER 41 7.922 17.039 0.555
288 HB2 SER 41 1HB SER 41 5.476 16.508 0.280
289 HB3 SER 41 2HB SER 41 6.302 15.531 1.493
290 HG SER 41 HG SER 41 5.153 16.440 3.026
291 H GLY 42 H GLY 42 8.576 19.104 -0.143
292 HA2 GLY 42 1HA GLY 42 8.099 20.967 -1.445
293 HA3 GLY 42 2HA GLY 42 6.393 20.742 -1.090
294 HA PRO 43 HA PRO 43 8.569 24.091 1.608
295 HB2 PRO 43 1HB PRO 43 8.309 26.291 0.039
296 HB3 PRO 43 2HB PRO 43 9.746 25.262 0.020
297 HG2 PRO 43 1HG PRO 43 7.420 25.302 -1.864
298 HG3 PRO 43 2HG PRO 43 9.151 25.168 -2.226
299 HD2 PRO 43 1HD PRO 43 7.498 23.024 -2.202
300 HD3 PRO 43 2HD PRO 43 9.208 22.917 -1.737
301 H SER 44 H SER 44 5.684 23.342 0.178
302 HA SER 44 HA SER 44 3.903 25.337 0.392
303 HB2 SER 44 1HB SER 44 3.659 22.487 1.338
304 HB3 SER 44 2HB SER 44 2.293 23.601 1.401
305 HG SER 44 HG SER 44 2.194 23.636 -0.744
306 H SER 45 H SER 45 3.237 26.755 1.864
307 HA SER 45 HA SER 45 3.301 26.111 4.693
308 HB2 SER 45 1HB SER 45 5.035 28.239 3.450
309 HB3 SER 45 2HB SER 45 4.517 28.342 5.132
310 HG SER 45 HG SER 45 6.562 27.016 4.205
311 H GLY 46 H GLY 46 1.768 27.187 5.848
312 HA2 GLY 46 1HA GLY 46 -0.159 28.721 4.322
313 HA3 GLY 46 2HA GLY 46 -0.328 28.191 5.989
Start of MODEL 19
1 H1 GLY 1 H GLY 1 9.161 -11.087 9.385
2 HA2 GLY 1 1HA GLY 1 6.224 -11.345 9.178
3 HA3 GLY 1 2HA GLY 1 7.252 -11.041 7.785
4 H SER 2 H SER 2 5.377 -13.295 8.665
5 HA SER 2 HA SER 2 7.265 -15.537 8.533
6 HB2 SER 2 1HB SER 2 5.404 -16.943 9.249
7 HB3 SER 2 2HB SER 2 5.572 -15.571 10.345
8 HG SER 2 HG SER 2 3.891 -14.550 9.062
9 H SER 3 H SER 3 4.949 -13.803 6.686
10 HA SER 3 HA SER 3 4.267 -13.974 4.522
11 HB2 SER 3 1HB SER 3 6.206 -16.242 4.115
12 HB3 SER 3 2HB SER 3 5.666 -15.033 2.951
13 HG SER 3 HG SER 3 7.858 -14.859 4.088
14 H GLY 4 H GLY 4 3.105 -15.609 6.678
15 HA2 GLY 4 1HA GLY 4 2.190 -17.971 5.183
16 HA3 GLY 4 2HA GLY 4 2.029 -17.734 6.916
17 H SER 5 H SER 5 1.011 -16.147 3.888
18 HA SER 5 HA SER 5 -1.419 -15.208 5.155
19 HB2 SER 5 1HB SER 5 -0.244 -14.871 2.398
20 HB3 SER 5 2HB SER 5 -1.867 -14.309 2.796
21 HG SER 5 HG SER 5 0.556 -13.230 3.432
22 H SER 6 H SER 6 -3.431 -16.010 4.889
23 HA SER 6 HA SER 6 -3.888 -18.102 2.897
24 HB2 SER 6 1HB SER 6 -4.468 -18.435 5.850
25 HB3 SER 6 2HB SER 6 -4.979 -19.552 4.585
26 HG SER 6 HG SER 6 -2.433 -19.083 5.634
27 H GLY 7 H GLY 7 -5.949 -18.168 2.101
28 HA2 GLY 7 1HA GLY 7 -8.297 -17.754 2.214
29 HA3 GLY 7 2HA GLY 7 -7.987 -16.504 3.410
30 H THR 8 H THR 8 -9.471 -16.505 0.806
31 HA THR 8 HA THR 8 -8.178 -15.151 -1.216
32 HB THR 8 HB THR 8 -11.018 -14.607 -0.334
33 HG1 THR 8 HG1 THR 8 -11.528 -16.344 -1.758
34 HG21 THR 8 3HG2 THR 8 -11.274 -14.332 -2.867
35 HG22 THR 8 1HG2 THR 8 -9.515 -14.213 -2.909
36 HG23 THR 8 2HG2 THR 8 -10.457 -13.037 -1.992
37 H GLY 9 H GLY 9 -6.972 -13.376 -1.088
38 HA2 GLY 9 1HA GLY 9 -7.446 -11.400 0.981
39 HA3 GLY 9 2HA GLY 9 -6.122 -11.407 -0.174
40 H GLU 10 H GLU 10 -6.900 -11.044 -2.524
41 HA GLU 10 HA GLU 10 -7.625 -9.454 -3.991
42 HB2 GLU 10 1HB GLU 10 -10.119 -10.133 -2.448
43 HB3 GLU 10 2HB GLU 10 -10.148 -9.002 -3.794
44 HG2 GLU 10 1HG GLU 10 -9.564 -11.934 -3.815
45 HG3 GLU 10 2HG GLU 10 -10.761 -11.031 -4.742
46 H LYS 11 H LYS 11 -6.271 -8.342 -1.848
47 HA LYS 11 HA LYS 11 -7.557 -6.311 -0.449
48 HB2 LYS 11 1HB LYS 11 -5.346 -5.289 -0.205
49 HB3 LYS 11 2HB LYS 11 -5.265 -7.029 0.034
50 HG2 LYS 11 1HG LYS 11 -4.515 -7.221 -2.354
51 HG3 LYS 11 2HG LYS 11 -4.382 -5.461 -2.374
52 HD2 LYS 11 1HD LYS 11 -2.237 -6.015 -1.798
53 HD3 LYS 11 2HD LYS 11 -2.960 -5.890 -0.192
54 HE2 LYS 11 1HE LYS 11 -1.677 -7.899 -0.251
55 HE3 LYS 11 2HE LYS 11 -3.380 -8.355 -0.284
56 HZ1 LYS 11 3HZ LYS 11 -1.562 -8.237 -2.630
57 HZ2 LYS 11 1HZ LYS 11 -3.206 -8.635 -2.688
58 HZ3 LYS 11 2HZ LYS 11 -2.120 -9.643 -1.873
59 HA PRO 12 HA PRO 12 -8.697 -3.575 -3.760
60 HB2 PRO 12 1HB PRO 12 -9.629 -1.572 -2.182
61 HB3 PRO 12 2HB PRO 12 -10.537 -3.058 -2.485
62 HG2 PRO 12 1HG PRO 12 -8.854 -2.313 -0.123
63 HG3 PRO 12 2HG PRO 12 -10.439 -3.108 -0.162
64 HD2 PRO 12 1HD PRO 12 -8.130 -4.477 0.198
65 HD3 PRO 12 2HD PRO 12 -9.532 -5.172 -0.641
66 H TYR 13 H TYR 13 -6.430 -2.925 -1.230
67 HA TYR 13 HA TYR 13 -5.166 -0.885 -2.917
68 HB2 TYR 13 1HB TYR 13 -5.657 -0.623 0.056
69 HB3 TYR 13 2HB TYR 13 -4.642 0.459 -0.890
70 HD1 TYR 13 HD2 TYR 13 -6.007 1.224 -3.181
71 HD2 TYR 13 HD1 TYR 13 -7.698 0.276 0.606
72 HE1 TYR 13 HE2 TYR 13 -7.972 2.601 -3.720
73 HE2 TYR 13 HE1 TYR 13 -9.669 1.650 0.077
74 HH TYR 13 HH TYR 13 -9.857 3.895 -1.938
75 H LYS 14 H LYS 14 -3.092 -1.311 -3.253
76 HA LYS 14 HA LYS 14 -1.674 -3.017 -1.312
77 HB2 LYS 14 1HB LYS 14 -2.236 -4.103 -3.531
78 HB3 LYS 14 2HB LYS 14 -1.143 -2.948 -4.283
79 HG2 LYS 14 1HG LYS 14 0.643 -3.822 -2.722
80 HG3 LYS 14 2HG LYS 14 -0.479 -5.125 -2.323
81 HD2 LYS 14 1HD LYS 14 0.263 -4.491 -5.164
82 HD3 LYS 14 2HD LYS 14 1.249 -5.560 -4.164
83 HE2 LYS 14 1HE LYS 14 -0.154 -7.056 -5.223
84 HE3 LYS 14 2HE LYS 14 -1.008 -6.770 -3.707
85 HZ1 LYS 14 3HZ LYS 14 -2.746 -6.282 -4.983
86 HZ2 LYS 14 1HZ LYS 14 -1.812 -6.174 -6.389
87 HZ3 LYS 14 2HZ LYS 14 -1.958 -4.835 -5.366
88 H CYS 15 H CYS 15 0.048 -2.112 -0.409
89 HA CYS 15 HA CYS 15 0.967 0.469 -1.260
90 HB2 CYS 15 1HB CYS 15 0.827 -0.322 1.140
91 HB3 CYS 15 2HB CYS 15 2.234 -1.328 0.811
92 H GLU 16 H GLU 16 2.101 0.542 -3.109
93 HA GLU 16 HA GLU 16 3.786 -1.504 -4.065
94 HB2 GLU 16 1HB GLU 16 2.705 0.410 -5.376
95 HB3 GLU 16 2HB GLU 16 4.038 1.404 -4.808
96 HG2 GLU 16 1HG GLU 16 4.290 0.399 -7.102
97 HG3 GLU 16 2HG GLU 16 5.627 0.137 -5.984
98 H LYS 17 H LYS 17 4.390 1.357 -2.114
99 HA LYS 17 HA LYS 17 7.087 1.662 -2.208
100 HB2 LYS 17 1HB LYS 17 5.211 1.783 0.144
101 HB3 LYS 17 2HB LYS 17 6.918 2.177 0.305
102 HG2 LYS 17 1HG LYS 17 5.147 3.524 -1.710
103 HG3 LYS 17 2HG LYS 17 5.315 4.107 -0.052
104 HD2 LYS 17 1HD LYS 17 7.714 3.610 -1.787
105 HD3 LYS 17 2HD LYS 17 6.827 5.135 -1.859
106 HE2 LYS 17 1HE LYS 17 7.364 5.686 0.343
107 HE3 LYS 17 2HE LYS 17 7.777 4.023 0.758
108 HZ1 LYS 17 3HZ LYS 17 9.356 5.444 -1.276
109 HZ2 LYS 17 1HZ LYS 17 9.820 4.184 -0.246
110 HZ3 LYS 17 2HZ LYS 17 9.643 5.752 0.362
111 H CYS 18 H CYS 18 5.449 -0.540 0.076
112 HA CYS 18 HA CYS 18 7.951 -2.086 0.229
113 HB2 CYS 18 1HB CYS 18 7.056 -2.928 2.407
114 HB3 CYS 18 2HB CYS 18 7.361 -1.194 2.387
115 H GLY 19 H GLY 19 4.408 -2.440 0.240
116 HA2 GLY 19 1HA GLY 19 3.537 -4.028 -1.468
117 HA3 GLY 19 2HA GLY 19 4.792 -5.131 -0.922
118 H LYS 20 H LYS 20 2.809 -3.103 1.161
119 HA LYS 20 HA LYS 20 1.813 -5.534 2.461
120 HB2 LYS 20 1HB LYS 20 2.969 -3.858 3.863
121 HB3 LYS 20 2HB LYS 20 1.753 -2.667 3.420
122 HG2 LYS 20 1HG LYS 20 0.905 -3.334 5.415
123 HG3 LYS 20 2HG LYS 20 0.117 -4.517 4.367
124 HD2 LYS 20 1HD LYS 20 0.954 -5.926 5.956
125 HD3 LYS 20 2HD LYS 20 2.336 -5.880 4.858
126 HE2 LYS 20 1HE LYS 20 2.076 -3.949 7.141
127 HE3 LYS 20 2HE LYS 20 2.769 -5.554 7.368
128 HZ1 LYS 20 3HZ LYS 20 3.789 -3.337 5.701
129 HZ2 LYS 20 1HZ LYS 20 4.296 -4.933 5.456
130 HZ3 LYS 20 2HZ LYS 20 4.580 -4.175 6.940
131 H GLY 21 H GLY 21 -0.373 -5.895 2.833
132 HA2 GLY 21 1HA GLY 21 -2.148 -4.489 0.981
133 HA3 GLY 21 2HA GLY 21 -2.483 -6.019 1.779
134 H TYR 22 H TYR 22 -4.232 -3.748 1.604
135 HA TYR 22 HA TYR 22 -4.818 -3.465 4.428
136 HB2 TYR 22 1HB TYR 22 -4.174 -1.099 2.669
137 HB3 TYR 22 2HB TYR 22 -5.093 -0.953 4.163
138 HD1 TYR 22 HD1 TYR 22 -4.007 -1.493 6.335
139 HD2 TYR 22 HD2 TYR 22 -1.807 -1.353 2.696
140 HE1 TYR 22 HE1 TYR 22 -1.912 -1.335 7.615
141 HE2 TYR 22 HE2 TYR 22 0.294 -1.196 3.965
142 HH TYR 22 HH TYR 22 0.409 -1.666 7.396
143 H ASN 23 H ASN 23 -6.958 -3.437 4.793
144 HA ASN 23 HA ASN 23 -8.720 -3.377 2.455
145 HB2 ASN 23 1HB ASN 23 -8.868 -5.353 3.900
146 HB3 ASN 23 2HB ASN 23 -9.246 -4.326 5.280
147 HD21 ASN 23 1HD2 ASN 23 -11.275 -4.790 5.778
148 HD22 ASN 23 2HD2 ASN 23 -12.610 -4.763 4.681
149 H SER 24 H SER 24 -7.723 -0.905 3.319
150 HA SER 24 HA SER 24 -10.119 0.574 3.582
151 HB2 SER 24 1HB SER 24 -8.534 0.049 6.058
152 HB3 SER 24 2HB SER 24 -9.237 1.652 5.842
153 HG SER 24 HG SER 24 -10.439 -0.617 6.595
154 H LYS 25 H LYS 25 -9.771 2.423 2.553
155 HA LYS 25 HA LYS 25 -7.234 3.194 1.619
156 HB2 LYS 25 1HB LYS 25 -8.363 5.256 0.857
157 HB3 LYS 25 2HB LYS 25 -9.256 3.804 0.425
158 HG2 LYS 25 1HG LYS 25 -10.872 4.186 2.114
159 HG3 LYS 25 2HG LYS 25 -9.895 5.456 2.853
160 HD2 LYS 25 1HD LYS 25 -11.478 6.666 1.669
161 HD3 LYS 25 2HD LYS 25 -10.117 6.622 0.546
162 HE2 LYS 25 1HE LYS 25 -12.105 6.130 -0.686
163 HE3 LYS 25 2HE LYS 25 -11.175 4.640 -0.540
164 HZ1 LYS 25 3HZ LYS 25 -12.690 4.343 1.560
165 HZ2 LYS 25 1HZ LYS 25 -13.237 3.897 0.023
166 HZ3 LYS 25 2HZ LYS 25 -13.725 5.368 0.700
167 H PHE 26 H PHE 26 -9.212 4.377 4.302
168 HA PHE 26 HA PHE 26 -7.660 6.577 5.030
169 HB2 PHE 26 1HB PHE 26 -9.872 6.209 5.969
170 HB3 PHE 26 2HB PHE 26 -9.319 4.741 6.769
171 HD1 PHE 26 HD2 PHE 26 -8.513 8.377 6.592
172 HD2 PHE 26 HD1 PHE 26 -8.718 4.861 8.982
173 HE1 PHE 26 HE2 PHE 26 -7.903 9.695 8.578
174 HE2 PHE 26 HE1 PHE 26 -8.110 6.174 10.972
175 HZ PHE 26 HZ PHE 26 -7.700 8.594 10.771
176 H ASN 27 H ASN 27 -7.453 3.198 6.095
177 HA ASN 27 HA ASN 27 -5.377 3.529 7.947
178 HB2 ASN 27 1HB ASN 27 -6.301 1.168 6.317
179 HB3 ASN 27 2HB ASN 27 -4.947 1.046 7.436
180 HD21 ASN 27 1HD2 ASN 27 -7.118 -0.523 7.800
181 HD22 ASN 27 2HD2 ASN 27 -8.001 -0.012 9.194
182 H LEU 28 H LEU 28 -5.160 2.268 4.614
183 HA LEU 28 HA LEU 28 -2.480 2.003 4.321
184 HB2 LEU 28 1HB LEU 28 -4.195 1.547 2.586
185 HB3 LEU 28 2HB LEU 28 -4.279 3.278 2.266
186 HG LEU 28 HG LEU 28 -1.800 3.126 1.691
187 HD11 LEU 28 1HD1 LEU 28 -1.613 0.828 2.769
188 HD12 LEU 28 2HD1 LEU 28 -0.847 1.043 1.195
189 HD13 LEU 28 3HD1 LEU 28 -2.395 0.208 1.314
190 HD21 LEU 28 3HD2 LEU 28 -2.504 3.182 -0.417
191 HD22 LEU 28 1HD2 LEU 28 -4.109 2.768 0.185
192 HD23 LEU 28 2HD2 LEU 28 -3.017 1.495 -0.360
193 H ASP 29 H ASP 29 -4.296 5.030 4.154
194 HA ASP 29 HA ASP 29 -2.321 6.757 3.293
195 HB2 ASP 29 1HB ASP 29 -4.395 7.358 5.412
196 HB3 ASP 29 2HB ASP 29 -3.563 8.533 4.397
197 H MET 30 H MET 30 -3.160 6.099 6.702
198 HA MET 30 HA MET 30 -1.061 7.498 7.861
199 HB2 MET 30 1HB MET 30 -2.801 5.239 8.733
200 HB3 MET 30 2HB MET 30 -1.385 5.615 9.706
201 HG2 MET 30 1HG MET 30 -3.331 6.740 10.580
202 HG3 MET 30 2HG MET 30 -2.172 7.914 9.960
203 HE1 MET 30 3HE MET 30 -5.747 6.609 9.897
204 HE2 MET 30 1HE MET 30 -6.319 6.939 8.261
205 HE3 MET 30 2HE MET 30 -5.123 5.673 8.538
206 H HIS 31 H HIS 31 -1.112 4.338 6.389
207 HA HIS 31 HA HIS 31 1.437 3.524 7.438
208 HB2 HIS 31 1HB HIS 31 -0.038 1.750 6.913
209 HB3 HIS 31 2HB HIS 31 -0.399 2.413 5.322
210 HD1 HIS 31 HD1 HIS 31 2.688 1.097 7.132
211 HD2 HIS 31 HD2 HIS 31 0.929 1.117 3.367
212 HE1 HIS 31 HE1 HIS 31 4.190 -0.303 5.680
213 H GLN 32 H GLN 32 0.260 5.097 4.540
214 HA GLN 32 HA GLN 32 2.532 4.802 2.925
215 HB2 GLN 32 1HB GLN 32 0.278 6.770 3.018
216 HB3 GLN 32 2HB GLN 32 1.639 7.061 1.943
217 HG2 GLN 32 1HG GLN 32 1.218 5.096 0.713
218 HG3 GLN 32 2HG GLN 32 0.095 4.488 1.928
219 HE21 GLN 32 1HE2 GLN 32 -0.970 4.358 -0.376
220 HE22 GLN 32 2HE2 GLN 32 -2.046 5.663 -0.730
221 H LYS 33 H LYS 33 1.792 7.023 5.520
222 HA LYS 33 HA LYS 33 4.146 8.644 4.994
223 HB2 LYS 33 1HB LYS 33 3.404 9.947 6.953
224 HB3 LYS 33 2HB LYS 33 2.135 9.779 5.747
225 HG2 LYS 33 1HG LYS 33 1.101 8.011 7.073
226 HG3 LYS 33 2HG LYS 33 2.378 8.170 8.282
227 HD2 LYS 33 1HD LYS 33 1.676 10.616 8.457
228 HD3 LYS 33 2HD LYS 33 0.234 10.148 7.552
229 HE2 LYS 33 1HE LYS 33 -0.497 9.929 9.725
230 HE3 LYS 33 2HE LYS 33 0.043 8.288 9.371
231 HZ1 LYS 33 3HZ LYS 33 2.267 9.140 10.349
232 HZ2 LYS 33 1HZ LYS 33 1.015 8.695 11.396
233 HZ3 LYS 33 2HZ LYS 33 1.305 10.329 11.071
234 H VAL 34 H VAL 34 4.727 5.947 5.506
235 HA VAL 34 HA VAL 34 5.964 6.076 8.179
236 HB VAL 34 HB VAL 34 5.137 3.661 6.567
237 HG11 VAL 34 1HG1 VAL 34 7.321 3.379 7.755
238 HG12 VAL 34 2HG1 VAL 34 6.468 3.678 9.270
239 HG13 VAL 34 3HG1 VAL 34 6.050 2.276 8.283
240 HG21 VAL 34 3HG2 VAL 34 3.538 3.256 8.261
241 HG22 VAL 34 1HG2 VAL 34 4.245 4.474 9.322
242 HG23 VAL 34 2HG2 VAL 34 3.393 4.967 7.858
243 H HIS 35 H HIS 35 6.458 4.986 4.839
244 HA HIS 35 HA HIS 35 9.213 4.362 5.190
245 HB2 HIS 35 1HB HIS 35 7.974 5.067 2.543
246 HB3 HIS 35 2HB HIS 35 9.263 3.917 2.883
247 HD1 HIS 35 HD1 HIS 35 8.465 1.681 4.173
248 HD2 HIS 35 HD2 HIS 35 5.480 3.977 2.418
249 HE1 HIS 35 HE1 HIS 35 6.460 0.171 4.017
250 H THR 36 H THR 36 7.622 7.033 3.436
251 HA THR 36 HA THR 36 9.759 8.532 2.698
252 HB THR 36 HB THR 36 8.348 10.560 2.979
253 HG1 THR 36 HG1 THR 36 6.637 10.509 4.239
254 HG21 THR 36 3HG2 THR 36 8.007 8.481 1.241
255 HG22 THR 36 1HG2 THR 36 7.183 10.035 1.127
256 HG23 THR 36 2HG2 THR 36 6.384 8.667 1.903
257 H GLY 37 H GLY 37 8.203 8.614 5.898
258 HA2 GLY 37 1HA GLY 37 9.627 8.753 7.866
259 HA3 GLY 37 2HA GLY 37 10.691 9.807 6.947
260 H GLU 38 H GLU 38 10.641 11.760 7.837
261 HA GLU 38 HA GLU 38 8.110 12.785 8.898
262 HB2 GLU 38 1HB GLU 38 10.419 12.789 10.144
263 HB3 GLU 38 2HB GLU 38 10.724 14.220 9.170
264 HG2 GLU 38 1HG GLU 38 9.004 15.424 10.178
265 HG3 GLU 38 2HG GLU 38 8.239 13.971 10.819
266 H ARG 39 H ARG 39 8.226 12.663 6.138
267 HA ARG 39 HA ARG 39 8.353 15.519 5.435
268 HB2 ARG 39 1HB ARG 39 9.490 13.161 4.017
269 HB3 ARG 39 2HB ARG 39 8.800 14.447 3.036
270 HG2 ARG 39 1HG ARG 39 10.298 15.984 4.529
271 HG3 ARG 39 2HG ARG 39 11.192 14.488 4.808
272 HD2 ARG 39 1HD ARG 39 10.478 15.273 2.019
273 HD3 ARG 39 2HD ARG 39 11.828 16.073 2.823
274 HE ARG 39 HE ARG 39 11.946 13.210 2.974
275 HH11 ARG 39 1HH1 ARG 39 12.701 15.997 1.030
276 HH12 ARG 39 2HH1 ARG 39 13.978 15.209 0.164
277 HH21 ARG 39 1HH2 ARG 39 13.625 12.161 1.841
278 HH22 ARG 39 2HH2 ARG 39 14.502 13.027 0.625
279 HA PRO 40 HA PRO 40 4.077 13.961 4.705
280 HB2 PRO 40 1HB PRO 40 2.873 16.248 5.534
281 HB3 PRO 40 2HB PRO 40 3.361 14.963 6.645
282 HG2 PRO 40 1HG PRO 40 4.756 17.529 5.988
283 HG3 PRO 40 2HG PRO 40 4.520 16.756 7.566
284 HD2 PRO 40 1HD PRO 40 6.848 16.587 6.195
285 HD3 PRO 40 2HD PRO 40 6.262 15.281 7.245
286 H SER 41 H SER 41 2.843 14.326 2.923
287 HA SER 41 HA SER 41 3.817 16.339 1.043
288 HB2 SER 41 1HB SER 41 2.407 15.104 -0.610
289 HB3 SER 41 2HB SER 41 3.632 14.094 0.157
290 HG SER 41 HG SER 41 2.047 12.858 0.734
291 H GLY 42 H GLY 42 2.916 18.276 1.510
292 HA2 GLY 42 1HA GLY 42 0.321 18.680 2.521
293 HA3 GLY 42 2HA GLY 42 1.312 19.901 1.737
294 HA PRO 43 HA PRO 43 -2.380 19.276 -0.942
295 HB2 PRO 43 1HB PRO 43 -2.653 21.908 -1.548
296 HB3 PRO 43 2HB PRO 43 -3.345 21.181 -0.094
297 HG2 PRO 43 1HG PRO 43 -0.819 22.757 -0.405
298 HG3 PRO 43 2HG PRO 43 -2.050 22.856 0.868
299 HD2 PRO 43 1HD PRO 43 0.288 21.532 1.202
300 HD3 PRO 43 2HD PRO 43 -1.220 21.021 1.988
301 H SER 44 H SER 44 0.219 21.647 -1.557
302 HA SER 44 HA SER 44 1.141 22.301 -3.576
303 HB2 SER 44 1HB SER 44 2.491 20.442 -4.542
304 HB3 SER 44 2HB SER 44 2.639 20.560 -2.789
305 HG SER 44 HG SER 44 2.085 18.422 -4.045
306 H SER 45 H SER 45 -1.594 22.090 -3.941
307 HA SER 45 HA SER 45 -1.957 20.606 -6.439
308 HB2 SER 45 1HB SER 45 -3.622 20.569 -4.446
309 HB3 SER 45 2HB SER 45 -4.124 22.152 -5.039
310 HG SER 45 HG SER 45 -5.330 20.340 -5.901
311 H GLY 46 H GLY 46 -1.688 21.609 -8.312
312 HA2 GLY 46 1HA GLY 46 -0.924 24.138 -8.818
313 HA3 GLY 46 2HA GLY 46 -1.939 23.243 -9.939
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -0.895 -26.735 5.904
2 HA2 GLY 1 1HA GLY 1 0.834 -24.891 6.435
3 HA3 GLY 1 2HA GLY 1 1.853 -25.835 5.359
4 H SER 2 H SER 2 0.215 -23.108 5.415
5 HA SER 2 HA SER 2 -0.672 -23.347 2.614
6 HB2 SER 2 1HB SER 2 -2.342 -21.605 3.075
7 HB3 SER 2 2HB SER 2 -2.577 -22.995 4.133
8 HG SER 2 HG SER 2 -1.473 -20.470 4.755
9 H SER 3 H SER 3 1.339 -22.711 1.799
10 HA SER 3 HA SER 3 2.250 -20.011 2.507
11 HB2 SER 3 1HB SER 3 3.641 -22.293 1.093
12 HB3 SER 3 2HB SER 3 4.332 -20.678 1.246
13 HG SER 3 HG SER 3 4.365 -20.924 3.462
14 H GLY 4 H GLY 4 2.522 -18.413 0.967
15 HA2 GLY 4 1HA GLY 4 1.940 -17.211 -0.902
16 HA3 GLY 4 2HA GLY 4 2.422 -18.651 -1.786
17 H SER 5 H SER 5 0.594 -17.428 -3.082
18 HA SER 5 HA SER 5 -1.599 -17.296 -3.763
19 HB2 SER 5 1HB SER 5 -1.250 -20.234 -3.132
20 HB3 SER 5 2HB SER 5 -2.615 -19.582 -4.039
21 HG SER 5 HG SER 5 0.118 -19.302 -4.759
22 H SER 6 H SER 6 -1.397 -16.485 -1.110
23 HA SER 6 HA SER 6 -3.526 -17.808 0.368
24 HB2 SER 6 1HB SER 6 -1.659 -17.167 1.710
25 HB3 SER 6 2HB SER 6 -1.653 -15.535 1.042
26 HG SER 6 HG SER 6 -3.297 -14.993 2.298
27 H GLY 7 H GLY 7 -2.854 -14.645 -1.093
28 HA2 GLY 7 1HA GLY 7 -5.678 -14.234 -1.548
29 HA3 GLY 7 2HA GLY 7 -4.979 -13.137 -0.367
30 H THR 8 H THR 8 -4.928 -14.154 -3.724
31 HA THR 8 HA THR 8 -3.226 -11.893 -4.448
32 HB THR 8 HB THR 8 -3.378 -12.859 -6.766
33 HG1 THR 8 HG1 THR 8 -5.396 -14.126 -5.928
34 HG21 THR 8 3HG2 THR 8 -1.492 -13.930 -6.253
35 HG22 THR 8 1HG2 THR 8 -2.383 -15.185 -5.393
36 HG23 THR 8 2HG2 THR 8 -1.889 -13.717 -4.548
37 H GLY 9 H GLY 9 -3.865 -10.262 -5.876
38 HA2 GLY 9 1HA GLY 9 -5.415 -8.594 -6.370
39 HA3 GLY 9 2HA GLY 9 -6.018 -9.881 -7.405
40 H GLU 10 H GLU 10 -6.115 -9.372 -3.880
41 HA GLU 10 HA GLU 10 -9.042 -9.679 -4.033
42 HB2 GLU 10 1HB GLU 10 -7.025 -10.723 -2.095
43 HB3 GLU 10 2HB GLU 10 -8.636 -10.338 -1.504
44 HG2 GLU 10 1HG GLU 10 -9.509 -11.812 -3.378
45 HG3 GLU 10 2HG GLU 10 -7.846 -12.366 -3.567
46 H LYS 11 H LYS 11 -6.449 -8.201 -2.093
47 HA LYS 11 HA LYS 11 -8.161 -6.415 -0.710
48 HB2 LYS 11 1HB LYS 11 -6.113 -5.314 0.023
49 HB3 LYS 11 2HB LYS 11 -5.947 -7.061 0.140
50 HG2 LYS 11 1HG LYS 11 -4.904 -6.769 -2.268
51 HG3 LYS 11 2HG LYS 11 -4.588 -5.139 -1.667
52 HD2 LYS 11 1HD LYS 11 -3.247 -5.931 0.092
53 HD3 LYS 11 2HD LYS 11 -3.848 -7.582 -0.081
54 HE2 LYS 11 1HE LYS 11 -2.739 -7.727 -2.276
55 HE3 LYS 11 2HE LYS 11 -2.101 -6.099 -2.045
56 HZ1 LYS 11 3HZ LYS 11 -1.313 -7.335 0.205
57 HZ2 LYS 11 1HZ LYS 11 -0.356 -7.171 -1.181
58 HZ3 LYS 11 2HZ LYS 11 -1.216 -8.602 -0.911
59 HA PRO 12 HA PRO 12 -8.830 -3.288 -3.735
60 HB2 PRO 12 1HB PRO 12 -9.367 -1.201 -2.084
61 HB3 PRO 12 2HB PRO 12 -10.504 -2.526 -2.359
62 HG2 PRO 12 1HG PRO 12 -8.613 -2.095 -0.079
63 HG3 PRO 12 2HG PRO 12 -10.300 -2.640 -0.045
64 HD2 PRO 12 1HD PRO 12 -8.213 -4.350 0.175
65 HD3 PRO 12 2HD PRO 12 -9.744 -4.807 -0.600
66 H TYR 13 H TYR 13 -6.919 -2.169 -0.934
67 HA TYR 13 HA TYR 13 -5.351 -0.462 -2.717
68 HB2 TYR 13 1HB TYR 13 -5.578 -0.619 0.288
69 HB3 TYR 13 2HB TYR 13 -4.379 0.381 -0.525
70 HD1 TYR 13 HD2 TYR 13 -5.300 2.086 -2.263
71 HD2 TYR 13 HD1 TYR 13 -7.678 0.257 0.755
72 HE1 TYR 13 HE2 TYR 13 -6.948 3.901 -2.469
73 HE2 TYR 13 HE1 TYR 13 -9.333 2.066 0.556
74 HH TYR 13 HH TYR 13 -10.017 3.798 -0.770
75 H LYS 14 H LYS 14 -3.066 -0.516 -2.743
76 HA LYS 14 HA LYS 14 -1.731 -2.781 -1.492
77 HB2 LYS 14 1HB LYS 14 -2.407 -3.787 -3.555
78 HB3 LYS 14 2HB LYS 14 -1.898 -2.379 -4.479
79 HG2 LYS 14 1HG LYS 14 0.113 -3.886 -2.874
80 HG3 LYS 14 2HG LYS 14 -0.426 -4.524 -4.430
81 HD2 LYS 14 1HD LYS 14 0.068 -2.038 -5.202
82 HD3 LYS 14 2HD LYS 14 1.158 -2.082 -3.815
83 HE2 LYS 14 1HE LYS 14 1.141 -4.064 -6.089
84 HE3 LYS 14 2HE LYS 14 2.275 -2.725 -5.913
85 HZ1 LYS 14 3HZ LYS 14 2.170 -5.265 -4.502
86 HZ2 LYS 14 1HZ LYS 14 2.581 -3.917 -3.566
87 HZ3 LYS 14 2HZ LYS 14 3.504 -4.315 -4.927
88 H CYS 15 H CYS 15 0.128 -2.102 -0.668
89 HA CYS 15 HA CYS 15 1.187 0.482 -1.395
90 HB2 CYS 15 1HB CYS 15 1.095 -0.365 0.965
91 HB3 CYS 15 2HB CYS 15 2.334 -1.540 0.538
92 H GLU 16 H GLU 16 2.577 0.790 -2.993
93 HA GLU 16 HA GLU 16 4.142 -1.471 -3.989
94 HB2 GLU 16 1HB GLU 16 2.710 0.052 -5.485
95 HB3 GLU 16 2HB GLU 16 3.973 1.253 -5.257
96 HG2 GLU 16 1HG GLU 16 5.612 -0.349 -6.175
97 HG3 GLU 16 2HG GLU 16 4.291 -1.475 -6.486
98 H LYS 17 H LYS 17 4.985 -0.461 -1.540
99 HA LYS 17 HA LYS 17 7.584 0.691 -2.289
100 HB2 LYS 17 1HB LYS 17 5.844 1.499 0.045
101 HB3 LYS 17 2HB LYS 17 7.536 1.953 -0.113
102 HG2 LYS 17 1HG LYS 17 5.709 2.577 -2.368
103 HG3 LYS 17 2HG LYS 17 5.585 3.544 -0.897
104 HD2 LYS 17 1HD LYS 17 7.662 4.463 -1.164
105 HD3 LYS 17 2HD LYS 17 8.293 3.057 -2.025
106 HE2 LYS 17 1HE LYS 17 7.202 3.693 -4.034
107 HE3 LYS 17 2HE LYS 17 6.241 4.916 -3.205
108 HZ1 LYS 17 3HZ LYS 17 7.930 6.387 -3.227
109 HZ2 LYS 17 1HZ LYS 17 8.453 5.473 -4.551
110 HZ3 LYS 17 2HZ LYS 17 9.128 5.210 -3.022
111 H CYS 18 H CYS 18 5.727 -1.068 0.165
112 HA CYS 18 HA CYS 18 8.214 -2.450 0.937
113 HB2 CYS 18 1HB CYS 18 7.230 -2.787 3.155
114 HB3 CYS 18 2HB CYS 18 7.315 -1.073 2.761
115 H GLY 19 H GLY 19 4.699 -2.821 0.568
116 HA2 GLY 19 1HA GLY 19 3.922 -4.711 -0.783
117 HA3 GLY 19 2HA GLY 19 5.180 -5.675 -0.024
118 H LYS 20 H LYS 20 2.405 -3.652 0.935
119 HA LYS 20 HA LYS 20 1.665 -5.771 2.845
120 HB2 LYS 20 1HB LYS 20 1.425 -2.780 3.224
121 HB3 LYS 20 2HB LYS 20 0.778 -3.988 4.327
122 HG2 LYS 20 1HG LYS 20 3.689 -3.943 3.632
123 HG3 LYS 20 2HG LYS 20 3.030 -2.885 4.882
124 HD2 LYS 20 1HD LYS 20 2.063 -4.932 5.966
125 HD3 LYS 20 2HD LYS 20 2.974 -5.899 4.804
126 HE2 LYS 20 1HE LYS 20 4.244 -3.870 6.632
127 HE3 LYS 20 2HE LYS 20 4.065 -5.573 7.053
128 HZ1 LYS 20 3HZ LYS 20 5.683 -4.393 4.874
129 HZ2 LYS 20 1HZ LYS 20 5.289 -6.038 4.910
130 HZ3 LYS 20 2HZ LYS 20 6.205 -5.360 6.160
131 H GLY 21 H GLY 21 -0.727 -5.337 3.604
132 HA2 GLY 21 1HA GLY 21 -2.349 -4.562 1.268
133 HA3 GLY 21 2HA GLY 21 -2.612 -6.113 2.051
134 H TYR 22 H TYR 22 -4.087 -3.367 1.723
135 HA TYR 22 HA TYR 22 -5.180 -3.415 4.441
136 HB2 TYR 22 1HB TYR 22 -4.538 -0.851 2.973
137 HB3 TYR 22 2HB TYR 22 -5.213 -0.998 4.591
138 HD1 TYR 22 HD1 TYR 22 -3.767 -2.128 6.378
139 HD2 TYR 22 HD2 TYR 22 -2.222 -0.761 2.656
140 HE1 TYR 22 HE1 TYR 22 -1.498 -2.120 7.329
141 HE2 TYR 22 HE2 TYR 22 0.050 -0.751 3.596
142 HH TYR 22 HH TYR 22 0.859 -0.575 6.450
143 H ASN 23 H ASN 23 -7.348 -3.345 4.507
144 HA ASN 23 HA ASN 23 -8.793 -3.330 2.006
145 HB2 ASN 23 1HB ASN 23 -10.695 -4.046 3.290
146 HB3 ASN 23 2HB ASN 23 -9.289 -4.934 3.872
147 HD21 ASN 23 1HD2 ASN 23 -11.950 -3.958 5.038
148 HD22 ASN 23 2HD2 ASN 23 -11.490 -3.269 6.554
149 H SER 24 H SER 24 -8.507 -1.291 4.864
150 HA SER 24 HA SER 24 -10.410 0.623 3.734
151 HB2 SER 24 1HB SER 24 -9.020 0.688 6.422
152 HB3 SER 24 2HB SER 24 -10.357 1.714 5.905
153 HG SER 24 HG SER 24 -10.366 -1.049 6.479
154 H LYS 25 H LYS 25 -9.858 2.639 3.055
155 HA LYS 25 HA LYS 25 -7.234 3.097 2.148
156 HB2 LYS 25 1HB LYS 25 -8.017 5.234 1.409
157 HB3 LYS 25 2HB LYS 25 -9.324 4.081 1.172
158 HG2 LYS 25 1HG LYS 25 -9.245 5.643 3.702
159 HG3 LYS 25 2HG LYS 25 -9.763 6.447 2.218
160 HD2 LYS 25 1HD LYS 25 -11.347 4.459 1.914
161 HD3 LYS 25 2HD LYS 25 -10.998 4.083 3.603
162 HE2 LYS 25 1HE LYS 25 -12.957 5.380 3.651
163 HE3 LYS 25 2HE LYS 25 -11.662 6.482 4.114
164 HZ1 LYS 25 3HZ LYS 25 -13.176 7.491 2.518
165 HZ2 LYS 25 1HZ LYS 25 -12.848 6.266 1.399
166 HZ3 LYS 25 2HZ LYS 25 -11.625 7.338 1.861
167 H PHE 26 H PHE 26 -8.760 3.716 5.167
168 HA PHE 26 HA PHE 26 -7.247 5.879 6.102
169 HB2 PHE 26 1HB PHE 26 -9.037 5.419 7.481
170 HB3 PHE 26 2HB PHE 26 -8.796 3.678 7.391
171 HD1 PHE 26 HD2 PHE 26 -7.062 6.721 8.676
172 HD2 PHE 26 HD1 PHE 26 -7.991 2.607 9.252
173 HE1 PHE 26 HE2 PHE 26 -5.921 6.772 10.855
174 HE2 PHE 26 HE1 PHE 26 -6.852 2.652 11.433
175 HZ PHE 26 HZ PHE 26 -5.815 4.736 12.236
176 H ASN 27 H ASN 27 -6.720 2.385 6.559
177 HA ASN 27 HA ASN 27 -4.347 2.547 8.003
178 HB2 ASN 27 1HB ASN 27 -5.239 0.416 6.048
179 HB3 ASN 27 2HB ASN 27 -3.918 0.234 7.198
180 HD21 ASN 27 1HD2 ASN 27 -6.759 -0.914 6.758
181 HD22 ASN 27 2HD2 ASN 27 -7.420 -0.919 8.355
182 H LEU 28 H LEU 28 -4.849 2.379 4.496
183 HA LEU 28 HA LEU 28 -2.113 2.335 3.796
184 HB2 LEU 28 1HB LEU 28 -4.008 1.694 2.313
185 HB3 LEU 28 2HB LEU 28 -4.413 3.403 2.167
186 HG LEU 28 HG LEU 28 -2.025 3.675 1.246
187 HD11 LEU 28 1HD1 LEU 28 -0.787 1.880 0.698
188 HD12 LEU 28 2HD1 LEU 28 -2.194 0.908 0.265
189 HD13 LEU 28 3HD1 LEU 28 -1.734 1.088 1.958
190 HD21 LEU 28 3HD2 LEU 28 -3.084 2.356 -0.939
191 HD22 LEU 28 1HD2 LEU 28 -3.353 4.044 -0.503
192 HD23 LEU 28 2HD2 LEU 28 -4.502 2.807 0.009
193 H ASP 29 H ASP 29 -4.455 4.983 4.083
194 HA ASP 29 HA ASP 29 -2.898 7.081 3.171
195 HB2 ASP 29 1HB ASP 29 -5.386 6.964 4.066
196 HB3 ASP 29 2HB ASP 29 -4.637 7.522 5.559
197 H MET 30 H MET 30 -3.249 5.988 6.549
198 HA MET 30 HA MET 30 -1.256 7.719 7.566
199 HB2 MET 30 1HB MET 30 -2.671 5.293 8.608
200 HB3 MET 30 2HB MET 30 -1.295 5.943 9.490
201 HG2 MET 30 1HG MET 30 -3.495 7.779 8.689
202 HG3 MET 30 2HG MET 30 -3.735 6.690 10.052
203 HE1 MET 30 3HE MET 30 -3.809 9.605 11.601
204 HE2 MET 30 1HE MET 30 -2.754 10.635 10.631
205 HE3 MET 30 2HE MET 30 -3.978 9.637 9.845
206 H HIS 31 H HIS 31 -1.202 4.276 6.687
207 HA HIS 31 HA HIS 31 1.371 3.629 7.429
208 HB2 HIS 31 1HB HIS 31 -0.063 1.899 6.637
209 HB3 HIS 31 2HB HIS 31 -0.279 2.695 5.080
210 HD1 HIS 31 HD1 HIS 31 2.801 1.526 7.006
211 HD2 HIS 31 HD2 HIS 31 1.095 1.313 3.223
212 HE1 HIS 31 HE1 HIS 31 4.421 0.202 5.611
213 H GLN 32 H GLN 32 0.324 4.912 4.273
214 HA GLN 32 HA GLN 32 2.600 5.012 2.852
215 HB2 GLN 32 1HB GLN 32 0.402 7.024 3.145
216 HB3 GLN 32 2HB GLN 32 1.787 7.396 2.127
217 HG2 GLN 32 1HG GLN 32 1.316 5.174 0.970
218 HG3 GLN 32 2HG GLN 32 -0.237 5.210 1.803
219 HE21 GLN 32 1HE2 GLN 32 -1.846 6.155 0.780
220 HE22 GLN 32 2HE2 GLN 32 -1.703 7.295 -0.510
221 H LYS 33 H LYS 33 1.714 7.457 5.285
222 HA LYS 33 HA LYS 33 3.810 9.173 5.154
223 HB2 LYS 33 1HB LYS 33 2.630 8.069 7.711
224 HB3 LYS 33 2HB LYS 33 3.529 9.573 7.560
225 HG2 LYS 33 1HG LYS 33 1.745 10.330 5.940
226 HG3 LYS 33 2HG LYS 33 0.815 8.920 6.453
227 HD2 LYS 33 1HD LYS 33 -0.003 10.505 7.895
228 HD3 LYS 33 2HD LYS 33 1.331 9.860 8.855
229 HE2 LYS 33 1HE LYS 33 1.875 12.142 7.025
230 HE3 LYS 33 2HE LYS 33 0.991 12.460 8.516
231 HZ1 LYS 33 3HZ LYS 33 2.868 12.348 9.662
232 HZ2 LYS 33 1HZ LYS 33 3.727 12.211 8.210
233 HZ3 LYS 33 2HZ LYS 33 3.236 10.820 9.037
234 H VAL 34 H VAL 34 3.812 6.007 6.739
235 HA VAL 34 HA VAL 34 6.173 5.951 8.061
236 HB VAL 34 HB VAL 34 5.139 3.772 6.241
237 HG11 VAL 34 1HG1 VAL 34 6.474 2.240 7.567
238 HG12 VAL 34 2HG1 VAL 34 7.508 3.466 6.831
239 HG13 VAL 34 3HG1 VAL 34 7.083 3.579 8.539
240 HG21 VAL 34 3HG2 VAL 34 3.672 4.701 8.141
241 HG22 VAL 34 1HG2 VAL 34 3.910 2.956 8.046
242 HG23 VAL 34 2HG2 VAL 34 4.820 3.908 9.219
243 H HIS 35 H HIS 35 5.781 5.519 4.558
244 HA HIS 35 HA HIS 35 8.647 5.393 4.160
245 HB2 HIS 35 1HB HIS 35 6.538 5.599 2.013
246 HB3 HIS 35 2HB HIS 35 8.167 4.943 1.873
247 HD1 HIS 35 HD1 HIS 35 8.467 2.772 3.698
248 HD2 HIS 35 HD2 HIS 35 4.719 3.619 2.119
249 HE1 HIS 35 HE1 HIS 35 7.133 0.656 3.960
250 H THR 36 H THR 36 9.339 6.776 2.081
251 HA THR 36 HA THR 36 10.225 8.908 1.777
252 HB THR 36 HB THR 36 8.357 8.555 0.135
253 HG1 THR 36 HG1 THR 36 8.165 10.944 -0.229
254 HG21 THR 36 3HG2 THR 36 6.606 8.767 2.038
255 HG22 THR 36 1HG2 THR 36 6.231 9.445 0.454
256 HG23 THR 36 2HG2 THR 36 6.761 10.502 1.762
257 H GLY 37 H GLY 37 9.787 8.573 4.530
258 HA2 GLY 37 1HA GLY 37 8.324 10.866 5.516
259 HA3 GLY 37 2HA GLY 37 9.233 9.712 6.480
260 H GLU 38 H GLU 38 11.594 9.913 6.468
261 HA GLU 38 HA GLU 38 13.420 11.184 6.982
262 HB2 GLU 38 1HB GLU 38 13.248 11.165 4.387
263 HB3 GLU 38 2HB GLU 38 12.780 12.850 4.568
264 HG2 GLU 38 1HG GLU 38 15.051 12.993 4.218
265 HG3 GLU 38 2HG GLU 38 14.931 13.058 5.976
266 H ARG 39 H ARG 39 11.188 11.996 8.392
267 HA ARG 39 HA ARG 39 10.540 14.709 8.231
268 HB2 ARG 39 1HB ARG 39 10.453 12.671 10.422
269 HB3 ARG 39 2HB ARG 39 10.133 14.358 10.801
270 HG2 ARG 39 1HG ARG 39 8.270 14.412 9.305
271 HG3 ARG 39 2HG ARG 39 8.656 12.802 8.693
272 HD2 ARG 39 1HD ARG 39 6.773 13.007 10.417
273 HD3 ARG 39 2HD ARG 39 7.994 11.762 10.676
274 HE ARG 39 HE ARG 39 7.588 14.171 12.251
275 HH11 ARG 39 1HH1 ARG 39 9.588 11.412 11.539
276 HH12 ARG 39 2HH1 ARG 39 10.438 11.474 13.047
277 HH21 ARG 39 1HH2 ARG 39 8.700 14.263 14.241
278 HH22 ARG 39 2HH2 ARG 39 9.931 13.096 14.584
279 HA PRO 40 HA PRO 40 14.182 16.768 9.604
280 HB2 PRO 40 1HB PRO 40 13.062 19.088 10.459
281 HB3 PRO 40 2HB PRO 40 13.239 18.681 8.749
282 HG2 PRO 40 1HG PRO 40 10.833 18.441 10.513
283 HG3 PRO 40 2HG PRO 40 10.943 19.033 8.845
284 HD2 PRO 40 1HD PRO 40 10.093 16.534 9.451
285 HD3 PRO 40 2HD PRO 40 10.981 16.905 7.959
286 H SER 41 H SER 41 11.378 16.672 11.767
287 HA SER 41 HA SER 41 12.214 17.568 14.129
288 HB2 SER 41 1HB SER 41 11.122 14.771 14.104
289 HB3 SER 41 2HB SER 41 10.738 16.105 15.191
290 HG SER 41 HG SER 41 9.617 15.430 12.798
291 H GLY 42 H GLY 42 12.767 14.111 13.451
292 HA2 GLY 42 1HA GLY 42 14.954 13.107 13.533
293 HA3 GLY 42 2HA GLY 42 15.456 14.394 14.619
294 HA PRO 43 HA PRO 43 14.884 11.470 17.872
295 HB2 PRO 43 1HB PRO 43 15.051 13.205 19.953
296 HB3 PRO 43 2HB PRO 43 16.460 12.683 19.023
297 HG2 PRO 43 1HG PRO 43 14.871 15.210 18.796
298 HG3 PRO 43 2HG PRO 43 16.630 14.987 18.757
299 HD2 PRO 43 1HD PRO 43 15.153 15.327 16.512
300 HD3 PRO 43 2HD PRO 43 16.623 14.332 16.547
301 H SER 44 H SER 44 12.773 14.068 17.158
302 HA SER 44 HA SER 44 10.941 14.207 19.146
303 HB2 SER 44 1HB SER 44 10.635 15.496 17.139
304 HB3 SER 44 2HB SER 44 10.426 14.037 16.170
305 HG SER 44 HG SER 44 8.565 15.437 17.423
306 H SER 45 H SER 45 10.682 11.838 16.488
307 HA SER 45 HA SER 45 9.713 9.839 18.367
308 HB2 SER 45 1HB SER 45 8.049 11.052 16.187
309 HB3 SER 45 2HB SER 45 7.812 9.360 16.624
310 HG SER 45 HG SER 45 7.907 11.243 18.683
311 H GLY 46 H GLY 46 9.768 7.687 17.534
312 HA2 GLY 46 1HA GLY 46 11.432 7.436 15.104
313 HA3 GLY 46 2HA GLY 46 11.623 6.406 16.515