Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504705 | 2emv RC | 10224 | 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 20.190 12.644 -9.353
2 HA2 GLY 1 1HA GLY 1 19.610 10.526 -7.381
3 HA3 GLY 1 2HA GLY 1 20.402 10.152 -8.905
4 H SER 2 H SER 2 20.740 12.128 -5.977
5 HA SER 2 HA SER 2 23.241 13.104 -6.143
6 HB2 SER 2 1HB SER 2 21.825 13.349 -4.145
7 HB3 SER 2 2HB SER 2 22.127 11.664 -3.722
8 HG SER 2 HG SER 2 23.502 13.150 -2.608
9 H SER 3 H SER 3 25.354 12.397 -5.533
10 HA SER 3 HA SER 3 26.227 10.079 -6.744
11 HB2 SER 3 1HB SER 3 28.320 10.374 -5.388
12 HB3 SER 3 2HB SER 3 27.788 11.838 -6.214
13 HG SER 3 HG SER 3 27.146 12.694 -4.323
14 H GLY 4 H GLY 4 25.832 8.023 -6.289
15 HA2 GLY 4 1HA GLY 4 26.493 6.450 -4.306
16 HA3 GLY 4 2HA GLY 4 25.144 7.275 -3.539
17 H SER 5 H SER 5 23.390 7.469 -5.691
18 HA SER 5 HA SER 5 21.589 6.226 -6.401
19 HB2 SER 5 1HB SER 5 22.187 4.694 -8.234
20 HB3 SER 5 2HB SER 5 23.101 6.198 -8.336
21 HG SER 5 HG SER 5 24.843 5.074 -7.308
22 H SER 6 H SER 6 22.177 5.454 -3.845
23 HA SER 6 HA SER 6 22.470 2.592 -3.688
24 HB2 SER 6 1HB SER 6 22.102 2.924 -1.264
25 HB3 SER 6 2HB SER 6 23.349 4.000 -1.893
26 HG SER 6 HG SER 6 21.986 5.209 -0.617
27 H GLY 7 H GLY 7 20.708 1.895 -4.994
28 HA2 GLY 7 1HA GLY 7 18.160 1.909 -3.522
29 HA3 GLY 7 2HA GLY 7 18.171 2.328 -5.229
30 H THR 8 H THR 8 17.782 -0.147 -3.034
31 HA THR 8 HA THR 8 18.141 -2.159 -5.156
32 HB THR 8 HB THR 8 18.634 -3.814 -3.313
33 HG1 THR 8 HG1 THR 8 18.327 -3.013 -1.375
34 HG21 THR 8 3HG2 THR 8 20.910 -2.105 -2.971
35 HG22 THR 8 1HG2 THR 8 20.328 -1.987 -4.631
36 HG23 THR 8 2HG2 THR 8 20.753 -3.560 -3.955
37 H ARG 9 H ARG 9 16.286 -3.086 -5.698
38 HA ARG 9 HA ARG 9 13.938 -2.769 -4.059
39 HB2 ARG 9 1HB ARG 9 14.386 -4.168 -6.700
40 HB3 ARG 9 2HB ARG 9 12.818 -4.023 -5.917
41 HG2 ARG 9 1HG ARG 9 12.940 -1.601 -6.079
42 HG3 ARG 9 2HG ARG 9 14.537 -1.722 -6.820
43 HD2 ARG 9 1HD ARG 9 13.684 -2.649 -8.786
44 HD3 ARG 9 2HD ARG 9 12.166 -3.110 -8.017
45 HE ARG 9 HE ARG 9 12.486 -0.296 -7.989
46 HH11 ARG 9 1HH1 ARG 9 11.718 -2.955 -10.101
47 HH12 ARG 9 2HH1 ARG 9 10.761 -1.994 -11.178
48 HH21 ARG 9 1HH2 ARG 9 11.228 0.981 -9.400
49 HH22 ARG 9 2HH2 ARG 9 10.484 0.245 -10.780
50 H GLU 10 H GLU 10 14.835 -4.001 -2.227
51 HA GLU 10 HA GLU 10 15.315 -6.795 -2.443
52 HB2 GLU 10 1HB GLU 10 14.839 -4.926 -0.140
53 HB3 GLU 10 2HB GLU 10 14.940 -6.662 0.118
54 HG2 GLU 10 1HG GLU 10 17.174 -6.574 -1.059
55 HG3 GLU 10 2HG GLU 10 17.063 -4.820 -0.933
56 H LYS 11 H LYS 11 12.497 -4.847 -1.617
57 HA LYS 11 HA LYS 11 10.890 -7.238 -1.163
58 HB2 LYS 11 1HB LYS 11 10.581 -4.334 -0.620
59 HB3 LYS 11 2HB LYS 11 9.107 -5.246 -0.922
60 HG2 LYS 11 1HG LYS 11 9.315 -5.353 1.374
61 HG3 LYS 11 2HG LYS 11 10.030 -6.881 0.852
62 HD2 LYS 11 1HD LYS 11 12.221 -6.095 1.209
63 HD3 LYS 11 2HD LYS 11 11.689 -4.416 1.313
64 HE2 LYS 11 1HE LYS 11 10.414 -5.058 3.381
65 HE3 LYS 11 2HE LYS 11 11.219 -6.624 3.308
66 HZ1 LYS 11 3HZ LYS 11 12.514 -3.975 3.640
67 HZ2 LYS 11 1HZ LYS 11 13.359 -5.421 3.405
68 HZ3 LYS 11 2HZ LYS 11 12.415 -5.209 4.792
69 HA PRO 12 HA PRO 12 9.325 -7.349 -5.282
70 HB2 PRO 12 1HB PRO 12 7.071 -8.789 -4.818
71 HB3 PRO 12 2HB PRO 12 8.686 -9.506 -4.814
72 HG2 PRO 12 1HG PRO 12 6.992 -8.642 -2.502
73 HG3 PRO 12 2HG PRO 12 7.970 -10.110 -2.686
74 HD2 PRO 12 1HD PRO 12 8.814 -7.967 -1.263
75 HD3 PRO 12 2HD PRO 12 9.931 -9.023 -2.151
76 H TYR 13 H TYR 13 6.832 -6.775 -2.789
77 HA TYR 13 HA TYR 13 5.144 -5.315 -4.564
78 HB2 TYR 13 1HB TYR 13 5.122 -5.484 -1.544
79 HB3 TYR 13 2HB TYR 13 3.837 -4.796 -2.531
80 HD1 TYR 13 HD2 TYR 13 2.505 -6.277 -4.025
81 HD2 TYR 13 HD1 TYR 13 5.322 -7.837 -1.244
82 HE1 TYR 13 HE2 TYR 13 1.463 -8.495 -4.222
83 HE2 TYR 13 HE1 TYR 13 4.288 -10.061 -1.435
84 HH TYR 13 HH TYR 13 2.414 -11.017 -3.820
85 H GLU 14 H GLU 14 5.254 -3.249 -5.133
86 HA GLU 14 HA GLU 14 6.755 -1.389 -3.413
87 HB2 GLU 14 1HB GLU 14 7.068 -1.977 -6.300
88 HB3 GLU 14 2HB GLU 14 7.130 -0.281 -5.843
89 HG2 GLU 14 1HG GLU 14 9.090 -0.504 -4.724
90 HG3 GLU 14 2HG GLU 14 8.766 -2.174 -4.262
91 H CYS 15 H CYS 15 5.983 0.711 -3.274
92 HA CYS 15 HA CYS 15 3.170 1.013 -3.793
93 HB2 CYS 15 1HB CYS 15 4.354 1.865 -1.733
94 HB3 CYS 15 2HB CYS 15 5.086 3.103 -2.749
95 H SER 16 H SER 16 2.346 1.712 -5.638
96 HA SER 16 HA SER 16 3.955 2.839 -7.703
97 HB2 SER 16 1HB SER 16 1.994 1.420 -8.185
98 HB3 SER 16 2HB SER 16 0.938 2.656 -7.501
99 HG SER 16 HG SER 16 2.160 2.547 -9.957
100 H GLU 17 H GLU 17 2.790 4.195 -4.950
101 HA GLU 17 HA GLU 17 2.088 6.776 -6.099
102 HB2 GLU 17 1HB GLU 17 2.258 5.937 -3.199
103 HB3 GLU 17 2HB GLU 17 1.578 7.441 -3.805
104 HG2 GLU 17 1HG GLU 17 0.487 4.796 -4.678
105 HG3 GLU 17 2HG GLU 17 -0.013 5.536 -3.158
106 H CYS 18 H CYS 18 4.398 5.600 -3.645
107 HA CYS 18 HA CYS 18 6.136 7.878 -4.321
108 HB2 CYS 18 1HB CYS 18 7.159 7.531 -2.093
109 HB3 CYS 18 2HB CYS 18 5.438 7.886 -1.993
110 H GLY 19 H GLY 19 6.070 4.395 -3.741
111 HA2 GLY 19 1HA GLY 19 7.462 3.102 -5.353
112 HA3 GLY 19 2HA GLY 19 8.753 4.233 -4.974
113 H LYS 20 H LYS 20 6.942 3.567 -2.235
114 HA LYS 20 HA LYS 20 8.977 2.460 -0.759
115 HB2 LYS 20 1HB LYS 20 6.638 3.326 -0.035
116 HB3 LYS 20 2HB LYS 20 6.126 1.658 -0.257
117 HG2 LYS 20 1HG LYS 20 7.279 0.914 1.554
118 HG3 LYS 20 2HG LYS 20 8.538 2.141 1.397
119 HD2 LYS 20 1HD LYS 20 7.301 3.742 2.508
120 HD3 LYS 20 2HD LYS 20 5.762 2.971 2.121
121 HE2 LYS 20 1HE LYS 20 6.015 2.522 4.384
122 HE3 LYS 20 2HE LYS 20 6.611 1.049 3.622
123 HZ1 LYS 20 3HZ LYS 20 8.800 2.695 3.828
124 HZ2 LYS 20 1HZ LYS 20 8.459 1.343 4.786
125 HZ3 LYS 20 2HZ LYS 20 7.988 2.884 5.300
126 H ALA 21 H ALA 21 8.560 0.165 0.389
127 HA ALA 21 HA ALA 21 8.079 -1.863 -1.674
128 HB1 ALA 21 3HB ALA 21 10.364 -2.469 0.054
129 HB2 ALA 21 1HB ALA 21 10.160 -2.696 -1.683
130 HB3 ALA 21 2HB ALA 21 10.622 -1.116 -1.047
131 H PHE 22 H PHE 22 7.646 -3.982 -0.842
132 HA PHE 22 HA PHE 22 7.296 -4.310 2.012
133 HB2 PHE 22 1HB PHE 22 4.885 -4.558 0.208
134 HB3 PHE 22 2HB PHE 22 4.928 -4.725 1.960
135 HD1 PHE 22 HD1 PHE 22 5.415 -2.293 -0.793
136 HD2 PHE 22 HD2 PHE 22 4.610 -2.876 3.346
137 HE1 PHE 22 HE1 PHE 22 4.910 0.104 -0.558
138 HE2 PHE 22 HE2 PHE 22 4.102 -0.480 3.587
139 HZ PHE 22 HZ PHE 22 4.251 1.012 1.634
140 H ILE 23 H ILE 23 6.892 -6.488 2.632
141 HA ILE 23 HA ILE 23 7.997 -8.398 0.777
142 HB ILE 23 HB ILE 23 6.962 -8.817 3.583
143 HG12 ILE 23 1HG1 ILE 23 9.857 -8.755 2.804
144 HG13 ILE 23 2HG1 ILE 23 8.999 -7.244 3.089
145 HG21 ILE 23 1HG2 ILE 23 7.033 -10.849 2.140
146 HG22 ILE 23 2HG2 ILE 23 8.767 -10.593 1.953
147 HG23 ILE 23 3HG2 ILE 23 8.093 -10.926 3.548
148 HD11 ILE 23 3HD1 ILE 23 9.922 -7.675 5.145
149 HD12 ILE 23 1HD1 ILE 23 8.311 -8.370 5.324
150 HD13 ILE 23 2HD1 ILE 23 9.693 -9.418 5.003
151 H ARG 24 H ARG 24 4.874 -7.786 2.302
152 HA ARG 24 HA ARG 24 3.676 -9.733 0.445
153 HB2 ARG 24 1HB ARG 24 2.622 -9.138 3.210
154 HB3 ARG 24 2HB ARG 24 2.092 -10.402 2.109
155 HG2 ARG 24 1HG ARG 24 4.871 -10.300 3.242
156 HG3 ARG 24 2HG ARG 24 3.536 -11.128 4.045
157 HD2 ARG 24 1HD ARG 24 4.490 -11.694 1.240
158 HD3 ARG 24 2HD ARG 24 4.928 -12.636 2.665
159 HE ARG 24 HE ARG 24 2.089 -12.379 2.205
160 HH11 ARG 24 1HH1 ARG 24 4.966 -14.246 1.612
161 HH12 ARG 24 2HH1 ARG 24 4.104 -15.710 1.270
162 HH21 ARG 24 1HH2 ARG 24 0.942 -14.300 1.758
163 HH22 ARG 24 2HH2 ARG 24 1.815 -15.739 1.353
164 H ASN 25 H ASN 25 1.801 -9.135 -0.576
165 HA ASN 25 HA ASN 25 1.317 -6.531 -1.216
166 HB2 ASN 25 1HB ASN 25 0.278 -8.780 -2.112
167 HB3 ASN 25 2HB ASN 25 -1.035 -8.371 -1.013
168 HD21 ASN 25 1HD2 ASN 25 -0.865 -5.560 -1.288
169 HD22 ASN 25 2HD2 ASN 25 -1.421 -5.153 -2.872
170 H SER 26 H SER 26 -0.596 -8.387 1.158
171 HA SER 26 HA SER 26 -2.317 -6.534 2.084
172 HB2 SER 26 1HB SER 26 -0.803 -8.706 3.467
173 HB3 SER 26 2HB SER 26 -1.747 -7.588 4.451
174 HG SER 26 HG SER 26 -3.031 -9.337 3.858
175 H GLN 27 H GLN 27 1.115 -6.717 2.890
176 HA GLN 27 HA GLN 27 1.122 -4.677 4.839
177 HB2 GLN 27 1HB GLN 27 3.397 -5.489 3.024
178 HB3 GLN 27 2HB GLN 27 3.530 -4.653 4.565
179 HG2 GLN 27 1HG GLN 27 2.179 -7.294 4.519
180 HG3 GLN 27 2HG GLN 27 3.932 -7.247 4.344
181 HE21 GLN 27 1HE2 GLN 27 4.623 -7.969 6.256
182 HE22 GLN 27 2HE2 GLN 27 4.225 -7.269 7.784
183 H LEU 28 H LEU 28 1.854 -4.613 1.361
184 HA LEU 28 HA LEU 28 2.497 -1.900 1.171
185 HB2 LEU 28 1HB LEU 28 3.064 -3.129 -0.694
186 HB3 LEU 28 2HB LEU 28 1.511 -3.960 -0.747
187 HG LEU 28 HG LEU 28 0.479 -1.832 -1.542
188 HD11 LEU 28 1HD1 LEU 28 2.184 -0.218 -2.565
189 HD12 LEU 28 2HD1 LEU 28 3.344 -0.952 -1.458
190 HD13 LEU 28 3HD1 LEU 28 1.913 -0.139 -0.824
191 HD21 LEU 28 3HD2 LEU 28 0.707 -2.839 -3.506
192 HD22 LEU 28 1HD2 LEU 28 2.164 -3.663 -2.950
193 HD23 LEU 28 2HD2 LEU 28 2.282 -2.068 -3.694
194 H ILE 29 H ILE 29 -0.608 -3.498 0.442
195 HA ILE 29 HA ILE 29 -2.170 -1.386 -0.224
196 HB ILE 29 HB ILE 29 -2.963 -3.646 1.614
197 HG12 ILE 29 1HG1 ILE 29 -3.453 -3.386 -1.352
198 HG13 ILE 29 2HG1 ILE 29 -2.030 -4.189 -0.696
199 HG21 ILE 29 1HG2 ILE 29 -4.412 -1.327 0.780
200 HG22 ILE 29 2HG2 ILE 29 -5.145 -2.764 0.070
201 HG23 ILE 29 3HG2 ILE 29 -4.937 -2.652 1.818
202 HD11 ILE 29 3HD1 ILE 29 -3.759 -5.590 0.634
203 HD12 ILE 29 1HD1 ILE 29 -4.889 -5.023 -0.596
204 HD13 ILE 29 2HD1 ILE 29 -3.462 -5.946 -1.067
205 H VAL 30 H VAL 30 -1.570 -2.462 3.120
206 HA VAL 30 HA VAL 30 -3.042 -0.595 4.496
207 HB VAL 30 HB VAL 30 -0.324 -1.664 5.271
208 HG11 VAL 30 1HG1 VAL 30 -0.584 -0.813 7.361
209 HG12 VAL 30 2HG1 VAL 30 -1.491 0.410 6.469
210 HG13 VAL 30 3HG1 VAL 30 -2.344 -0.894 7.296
211 HG21 VAL 30 3HG2 VAL 30 -2.772 -2.996 4.917
212 HG22 VAL 30 1HG2 VAL 30 -1.305 -3.616 5.675
213 HG23 VAL 30 2HG2 VAL 30 -2.544 -2.837 6.658
214 H HIS 31 H HIS 31 0.146 -0.215 3.044
215 HA HIS 31 HA HIS 31 0.557 2.416 4.121
216 HB2 HIS 31 1HB HIS 31 2.503 1.090 3.640
217 HB3 HIS 31 2HB HIS 31 1.991 0.848 1.973
218 HD1 HIS 31 HD1 HIS 31 3.273 3.568 4.263
219 HD2 HIS 31 HD2 HIS 31 2.834 2.769 0.210
220 HE1 HIS 31 HE1 HIS 31 4.489 5.422 3.077
221 H GLN 32 H GLN 32 -1.042 1.091 1.385
222 HA GLN 32 HA GLN 32 -0.957 3.527 -0.169
223 HB2 GLN 32 1HB GLN 32 -2.493 0.954 -0.557
224 HB3 GLN 32 2HB GLN 32 -2.497 2.296 -1.694
225 HG2 GLN 32 1HG GLN 32 0.033 2.019 -1.772
226 HG3 GLN 32 2HG GLN 32 -0.232 0.475 -0.965
227 HE21 GLN 32 1HE2 GLN 32 0.058 1.985 -3.897
228 HE22 GLN 32 2HE2 GLN 32 -0.649 0.773 -4.905
229 H ARG 33 H ARG 33 -2.956 2.119 2.248
230 HA ARG 33 HA ARG 33 -5.458 3.143 1.723
231 HB2 ARG 33 1HB ARG 33 -4.028 2.821 4.363
232 HB3 ARG 33 2HB ARG 33 -5.733 3.230 4.229
233 HG2 ARG 33 1HG ARG 33 -5.923 1.097 2.811
234 HG3 ARG 33 2HG ARG 33 -4.349 0.682 3.494
235 HD2 ARG 33 1HD ARG 33 -6.897 1.241 5.007
236 HD3 ARG 33 2HD ARG 33 -6.094 -0.319 4.826
237 HE ARG 33 HE ARG 33 -4.493 1.745 6.063
238 HH11 ARG 33 1HH1 ARG 33 -6.714 -0.892 6.544
239 HH12 ARG 33 2HH1 ARG 33 -6.229 -1.174 8.183
240 HH21 ARG 33 1HH2 ARG 33 -3.845 1.384 8.220
241 HH22 ARG 33 2HH2 ARG 33 -4.597 0.122 9.135
242 H THR 34 H THR 34 -2.674 4.773 3.161
243 HA THR 34 HA THR 34 -4.087 7.207 3.693
244 HB THR 34 HB THR 34 -2.086 6.562 4.987
245 HG1 THR 34 HG1 THR 34 -0.954 8.745 4.403
246 HG21 THR 34 3HG2 THR 34 -0.743 5.545 3.256
247 HG22 THR 34 1HG2 THR 34 0.148 6.897 3.954
248 HG23 THR 34 2HG2 THR 34 -0.640 7.076 2.387
249 H HIS 35 H HIS 35 -1.978 6.032 1.118
250 HA HIS 35 HA HIS 35 -1.681 8.468 -0.260
251 HB2 HIS 35 1HB HIS 35 -1.316 5.591 -0.920
252 HB3 HIS 35 2HB HIS 35 -1.438 6.718 -2.268
253 HD1 HIS 35 HD1 HIS 35 0.322 8.843 -2.026
254 HD2 HIS 35 HD2 HIS 35 1.197 5.348 0.043
255 HE1 HIS 35 HE1 HIS 35 2.776 8.975 -1.491
256 H SER 36 H SER 36 -4.146 5.958 -0.398
257 HA SER 36 HA SER 36 -5.532 6.418 -2.648
258 HB2 SER 36 1HB SER 36 -6.860 6.264 0.068
259 HB3 SER 36 2HB SER 36 -7.574 5.817 -1.482
260 HG SER 36 HG SER 36 -6.848 3.954 -0.516
261 H GLY 37 H GLY 37 -6.755 7.970 -3.583
262 HA2 GLY 37 1HA GLY 37 -8.146 10.027 -2.361
263 HA3 GLY 37 2HA GLY 37 -6.524 10.645 -2.639
264 H GLU 38 H GLU 38 -8.060 12.145 -3.918
265 HA GLU 38 HA GLU 38 -8.263 11.099 -6.666
266 HB2 GLU 38 1HB GLU 38 -10.122 12.838 -5.094
267 HB3 GLU 38 2HB GLU 38 -10.037 13.030 -6.839
268 HG2 GLU 38 1HG GLU 38 -10.756 10.808 -7.212
269 HG3 GLU 38 2HG GLU 38 -10.551 10.385 -5.513
270 H SER 39 H SER 39 -6.069 11.834 -6.961
271 HA SER 39 HA SER 39 -5.762 14.754 -7.063
272 HB2 SER 39 1HB SER 39 -3.805 12.487 -6.837
273 HB3 SER 39 2HB SER 39 -3.277 14.058 -7.440
274 HG SER 39 HG SER 39 -3.018 13.897 -5.180
275 H GLY 40 H GLY 40 -4.782 15.730 -8.922
276 HA2 GLY 40 1HA GLY 40 -4.716 16.120 -11.185
277 HA3 GLY 40 2HA GLY 40 -4.069 14.489 -11.286
278 HA PRO 41 HA PRO 41 -8.889 14.395 -12.002
279 HB2 PRO 41 1HB PRO 41 -9.874 16.707 -13.028
280 HB3 PRO 41 2HB PRO 41 -9.839 16.363 -11.295
281 HG2 PRO 41 1HG PRO 41 -7.958 18.015 -12.936
282 HG3 PRO 41 2HG PRO 41 -8.642 18.356 -11.336
283 HD2 PRO 41 1HD PRO 41 -6.129 17.407 -11.673
284 HD3 PRO 41 2HD PRO 41 -7.121 17.002 -10.257
285 H SER 42 H SER 42 -10.193 14.608 -14.117
286 HA SER 42 HA SER 42 -10.356 14.380 -16.381
287 HB2 SER 42 1HB SER 42 -8.994 16.539 -16.372
288 HB3 SER 42 2HB SER 42 -7.574 15.526 -16.630
289 HG SER 42 HG SER 42 -9.528 16.275 -18.386
290 H SER 43 H SER 43 -9.498 12.250 -14.797
291 HA SER 43 HA SER 43 -7.265 10.964 -16.115
292 HB2 SER 43 1HB SER 43 -7.935 10.759 -13.618
293 HB3 SER 43 2HB SER 43 -9.136 9.602 -14.192
294 HG SER 43 HG SER 43 -7.365 8.458 -15.180
295 H GLY 44 H GLY 44 -7.424 8.887 -17.163
296 HA2 GLY 44 1HA GLY 44 -10.032 8.523 -18.506
297 HA3 GLY 44 2HA GLY 44 -8.484 8.246 -19.289
Start of MODEL 2
1 H1 GLY 1 H GLY 1 25.741 15.404 -8.041
2 HA2 GLY 1 1HA GLY 1 26.379 13.718 -6.084
3 HA3 GLY 1 2HA GLY 1 24.994 14.527 -5.365
4 H SER 2 H SER 2 23.796 12.606 -5.305
5 HA SER 2 HA SER 2 23.175 11.313 -7.847
6 HB2 SER 2 1HB SER 2 21.934 9.681 -6.397
7 HB3 SER 2 2HB SER 2 23.654 9.804 -6.029
8 HG SER 2 HG SER 2 21.688 10.081 -4.352
9 H SER 3 H SER 3 20.921 10.836 -8.391
10 HA SER 3 HA SER 3 19.304 13.207 -8.143
11 HB2 SER 3 1HB SER 3 19.517 11.847 -10.258
12 HB3 SER 3 2HB SER 3 18.556 10.595 -9.472
13 HG SER 3 HG SER 3 17.745 12.885 -10.652
14 H GLY 4 H GLY 4 17.426 13.470 -7.024
15 HA2 GLY 4 1HA GLY 4 16.996 11.959 -4.699
16 HA3 GLY 4 2HA GLY 4 15.865 13.119 -5.379
17 H SER 5 H SER 5 16.795 9.764 -5.215
18 HA SER 5 HA SER 5 14.223 9.050 -6.466
19 HB2 SER 5 1HB SER 5 16.371 8.464 -7.763
20 HB3 SER 5 2HB SER 5 16.640 7.251 -6.512
21 HG SER 5 HG SER 5 14.966 6.118 -7.220
22 H SER 6 H SER 6 13.015 7.442 -5.506
23 HA SER 6 HA SER 6 14.046 6.311 -2.996
24 HB2 SER 6 1HB SER 6 11.527 7.876 -3.428
25 HB3 SER 6 2HB SER 6 11.557 6.604 -2.207
26 HG SER 6 HG SER 6 12.339 9.020 -1.852
27 H GLY 7 H GLY 7 13.762 4.180 -2.826
28 HA2 GLY 7 1HA GLY 7 11.904 2.434 -3.084
29 HA3 GLY 7 2HA GLY 7 11.976 2.885 -4.781
30 H THR 8 H THR 8 14.333 2.061 -2.232
31 HA THR 8 HA THR 8 15.495 0.095 -4.092
32 HB THR 8 HB THR 8 17.040 1.888 -2.208
33 HG1 THR 8 HG1 THR 8 17.309 3.140 -3.895
34 HG21 THR 8 3HG2 THR 8 17.719 -0.574 -3.651
35 HG22 THR 8 1HG2 THR 8 18.515 0.189 -2.275
36 HG23 THR 8 2HG2 THR 8 18.848 0.755 -3.912
37 H ARG 9 H ARG 9 14.432 -1.627 -3.102
38 HA ARG 9 HA ARG 9 15.668 -2.540 -0.643
39 HB2 ARG 9 1HB ARG 9 12.785 -1.783 -0.855
40 HB3 ARG 9 2HB ARG 9 13.224 -3.169 0.135
41 HG2 ARG 9 1HG ARG 9 14.459 -0.448 0.469
42 HG3 ARG 9 2HG ARG 9 13.026 -0.985 1.349
43 HD2 ARG 9 1HD ARG 9 14.301 -2.854 2.280
44 HD3 ARG 9 2HD ARG 9 15.730 -2.321 1.396
45 HE ARG 9 HE ARG 9 14.662 -0.281 3.091
46 HH11 ARG 9 1HH1 ARG 9 16.668 -3.126 3.015
47 HH12 ARG 9 2HH1 ARG 9 17.593 -2.670 4.407
48 HH21 ARG 9 1HH2 ARG 9 15.873 0.330 4.925
49 HH22 ARG 9 2HH2 ARG 9 17.139 -0.705 5.493
50 H GLU 10 H GLU 10 15.162 -4.811 -0.178
51 HA GLU 10 HA GLU 10 14.985 -6.320 -2.642
52 HB2 GLU 10 1HB GLU 10 15.630 -7.027 0.209
53 HB3 GLU 10 2HB GLU 10 15.354 -8.275 -0.998
54 HG2 GLU 10 1HG GLU 10 17.143 -7.036 -2.372
55 HG3 GLU 10 2HG GLU 10 17.558 -6.262 -0.844
56 H LYS 11 H LYS 11 12.589 -4.967 -1.739
57 HA LYS 11 HA LYS 11 10.854 -7.206 -0.974
58 HB2 LYS 11 1HB LYS 11 10.699 -4.255 -0.684
59 HB3 LYS 11 2HB LYS 11 9.182 -5.108 -0.936
60 HG2 LYS 11 1HG LYS 11 9.464 -4.912 1.396
61 HG3 LYS 11 2HG LYS 11 9.823 -6.593 0.992
62 HD2 LYS 11 1HD LYS 11 12.049 -6.372 1.457
63 HD3 LYS 11 2HD LYS 11 12.081 -4.661 1.022
64 HE2 LYS 11 1HE LYS 11 12.305 -4.529 3.302
65 HE3 LYS 11 2HE LYS 11 10.554 -4.414 3.137
66 HZ1 LYS 11 3HZ LYS 11 10.326 -6.236 4.349
67 HZ2 LYS 11 1HZ LYS 11 11.999 -6.279 4.598
68 HZ3 LYS 11 2HZ LYS 11 11.315 -7.123 3.302
69 HA PRO 12 HA PRO 12 9.401 -7.573 -5.126
70 HB2 PRO 12 1HB PRO 12 7.130 -8.969 -4.610
71 HB3 PRO 12 2HB PRO 12 8.740 -9.693 -4.538
72 HG2 PRO 12 1HG PRO 12 7.017 -8.681 -2.309
73 HG3 PRO 12 2HG PRO 12 7.988 -10.163 -2.388
74 HD2 PRO 12 1HD PRO 12 8.824 -7.942 -1.085
75 HD3 PRO 12 2HD PRO 12 9.947 -9.056 -1.890
76 H TYR 13 H TYR 13 6.883 -6.824 -2.706
77 HA TYR 13 HA TYR 13 5.250 -5.445 -4.609
78 HB2 TYR 13 1HB TYR 13 5.108 -5.474 -1.586
79 HB3 TYR 13 2HB TYR 13 3.857 -4.864 -2.664
80 HD1 TYR 13 HD2 TYR 13 2.545 -6.422 -4.049
81 HD2 TYR 13 HD1 TYR 13 5.396 -7.829 -1.222
82 HE1 TYR 13 HE2 TYR 13 1.543 -8.666 -4.164
83 HE2 TYR 13 HE1 TYR 13 4.403 -10.077 -1.330
84 HH TYR 13 HH TYR 13 1.591 -10.745 -3.398
85 H GLU 14 H GLU 14 5.120 -3.316 -5.056
86 HA GLU 14 HA GLU 14 6.673 -1.439 -3.420
87 HB2 GLU 14 1HB GLU 14 7.047 -2.085 -6.286
88 HB3 GLU 14 2HB GLU 14 7.086 -0.379 -5.865
89 HG2 GLU 14 1HG GLU 14 9.026 -0.561 -4.703
90 HG3 GLU 14 2HG GLU 14 8.706 -2.224 -4.212
91 H CYS 15 H CYS 15 5.859 0.636 -3.300
92 HA CYS 15 HA CYS 15 3.062 0.909 -3.881
93 HB2 CYS 15 1HB CYS 15 4.190 1.828 -1.831
94 HB3 CYS 15 2HB CYS 15 4.961 3.028 -2.863
95 H SER 16 H SER 16 2.126 1.858 -5.575
96 HA SER 16 HA SER 16 3.790 2.860 -7.716
97 HB2 SER 16 1HB SER 16 1.804 2.835 -9.058
98 HB3 SER 16 2HB SER 16 1.777 1.373 -8.071
99 HG SER 16 HG SER 16 -0.243 2.452 -8.071
100 H GLU 17 H GLU 17 2.766 4.245 -4.988
101 HA GLU 17 HA GLU 17 2.009 6.807 -6.193
102 HB2 GLU 17 1HB GLU 17 2.013 6.022 -3.275
103 HB3 GLU 17 2HB GLU 17 1.317 7.479 -3.969
104 HG2 GLU 17 1HG GLU 17 0.363 4.816 -4.903
105 HG3 GLU 17 2HG GLU 17 -0.195 5.449 -3.355
106 H CYS 18 H CYS 18 4.308 5.449 -3.848
107 HA CYS 18 HA CYS 18 6.028 7.798 -4.309
108 HB2 CYS 18 1HB CYS 18 6.963 7.397 -2.055
109 HB3 CYS 18 2HB CYS 18 5.236 7.738 -2.008
110 H GLY 19 H GLY 19 5.892 4.303 -3.918
111 HA2 GLY 19 1HA GLY 19 7.324 3.002 -5.428
112 HA3 GLY 19 2HA GLY 19 8.601 4.161 -5.091
113 H LYS 20 H LYS 20 6.788 3.457 -2.338
114 HA LYS 20 HA LYS 20 8.867 2.451 -0.843
115 HB2 LYS 20 1HB LYS 20 6.413 3.201 -0.209
116 HB3 LYS 20 2HB LYS 20 6.104 1.470 -0.270
117 HG2 LYS 20 1HG LYS 20 7.362 1.035 1.575
118 HG3 LYS 20 2HG LYS 20 8.444 2.402 1.298
119 HD2 LYS 20 1HD LYS 20 6.948 3.930 2.226
120 HD3 LYS 20 2HD LYS 20 5.571 2.841 2.036
121 HE2 LYS 20 1HE LYS 20 5.984 2.720 4.308
122 HE3 LYS 20 2HE LYS 20 6.866 1.324 3.692
123 HZ1 LYS 20 3HZ LYS 20 7.877 3.788 4.862
124 HZ2 LYS 20 1HZ LYS 20 8.760 3.167 3.559
125 HZ3 LYS 20 2HZ LYS 20 8.502 2.218 4.934
126 H ALA 21 H ALA 21 8.494 0.149 0.336
127 HA ALA 21 HA ALA 21 8.041 -1.928 -1.669
128 HB1 ALA 21 3HB ALA 21 10.578 -1.059 -1.267
129 HB2 ALA 21 1HB ALA 21 10.475 -2.368 -0.089
130 HB3 ALA 21 2HB ALA 21 10.151 -2.688 -1.793
131 H PHE 22 H PHE 22 7.483 -3.931 -0.823
132 HA PHE 22 HA PHE 22 7.449 -4.264 2.073
133 HB2 PHE 22 1HB PHE 22 4.946 -4.478 0.387
134 HB3 PHE 22 2HB PHE 22 5.066 -4.856 2.102
135 HD1 PHE 22 HD1 PHE 22 5.159 -2.146 -0.387
136 HD2 PHE 22 HD2 PHE 22 5.021 -3.147 3.748
137 HE1 PHE 22 HE1 PHE 22 4.628 0.194 0.158
138 HE2 PHE 22 HE2 PHE 22 4.489 -0.809 4.300
139 HZ PHE 22 HZ PHE 22 4.292 0.865 2.504
140 H ILE 23 H ILE 23 6.863 -6.479 2.718
141 HA ILE 23 HA ILE 23 8.035 -8.386 0.878
142 HB ILE 23 HB ILE 23 7.030 -8.777 3.700
143 HG12 ILE 23 1HG1 ILE 23 9.897 -8.650 2.776
144 HG13 ILE 23 2HG1 ILE 23 9.019 -7.212 3.288
145 HG21 ILE 23 1HG2 ILE 23 8.562 -10.825 3.518
146 HG22 ILE 23 2HG2 ILE 23 6.987 -10.898 2.728
147 HG23 ILE 23 3HG2 ILE 23 8.439 -10.593 1.774
148 HD11 ILE 23 3HD1 ILE 23 10.258 -7.955 5.148
149 HD12 ILE 23 1HD1 ILE 23 8.580 -8.399 5.461
150 HD13 ILE 23 2HD1 ILE 23 9.731 -9.623 4.925
151 H ARG 24 H ARG 24 4.918 -7.783 2.421
152 HA ARG 24 HA ARG 24 3.725 -9.776 0.608
153 HB2 ARG 24 1HB ARG 24 2.764 -9.084 3.389
154 HB3 ARG 24 2HB ARG 24 2.061 -10.281 2.310
155 HG2 ARG 24 1HG ARG 24 4.401 -11.376 2.385
156 HG3 ARG 24 2HG ARG 24 4.630 -10.388 3.830
157 HD2 ARG 24 1HD ARG 24 2.506 -11.362 4.726
158 HD3 ARG 24 2HD ARG 24 2.497 -12.460 3.347
159 HE ARG 24 HE ARG 24 4.224 -12.582 5.664
160 HH11 ARG 24 1HH1 ARG 24 3.663 -13.625 2.390
161 HH12 ARG 24 2HH1 ARG 24 4.659 -15.036 2.531
162 HH21 ARG 24 1HH2 ARG 24 5.538 -14.436 5.861
163 HH22 ARG 24 2HH2 ARG 24 5.725 -15.496 4.506
164 H ASN 25 H ASN 25 1.910 -9.187 -0.495
165 HA ASN 25 HA ASN 25 1.426 -6.591 -1.179
166 HB2 ASN 25 1HB ASN 25 0.451 -8.861 -2.098
167 HB3 ASN 25 2HB ASN 25 -0.911 -8.456 -1.058
168 HD21 ASN 25 1HD2 ASN 25 -0.747 -5.642 -1.354
169 HD22 ASN 25 2HD2 ASN 25 -1.244 -5.257 -2.963
170 H SER 26 H SER 26 -0.466 -8.459 1.197
171 HA SER 26 HA SER 26 -2.268 -6.595 2.020
172 HB2 SER 26 1HB SER 26 -2.168 -7.681 4.276
173 HB3 SER 26 2HB SER 26 -2.293 -8.828 2.942
174 HG SER 26 HG SER 26 0.215 -8.624 3.200
175 H GLN 27 H GLN 27 1.149 -6.711 2.791
176 HA GLN 27 HA GLN 27 1.112 -4.748 4.835
177 HB2 GLN 27 1HB GLN 27 3.400 -5.488 3.004
178 HB3 GLN 27 2HB GLN 27 3.524 -4.667 4.554
179 HG2 GLN 27 1HG GLN 27 2.214 -7.329 4.480
180 HG3 GLN 27 2HG GLN 27 3.967 -7.251 4.307
181 HE21 GLN 27 1HE2 GLN 27 4.683 -7.968 6.207
182 HE22 GLN 27 2HE2 GLN 27 4.268 -7.298 7.745
183 H LEU 28 H LEU 28 1.881 -4.574 1.367
184 HA LEU 28 HA LEU 28 2.445 -1.831 1.274
185 HB2 LEU 28 1HB LEU 28 3.105 -3.105 -0.574
186 HB3 LEU 28 2HB LEU 28 1.502 -3.810 -0.770
187 HG LEU 28 HG LEU 28 0.662 -1.649 -1.580
188 HD11 LEU 28 1HD1 LEU 28 2.063 -0.090 -0.470
189 HD12 LEU 28 2HD1 LEU 28 2.376 0.081 -2.197
190 HD13 LEU 28 3HD1 LEU 28 3.519 -0.793 -1.177
191 HD21 LEU 28 3HD2 LEU 28 1.827 -3.463 -3.029
192 HD22 LEU 28 1HD2 LEU 28 3.105 -2.259 -3.191
193 HD23 LEU 28 2HD2 LEU 28 1.468 -1.886 -3.732
194 H ILE 29 H ILE 29 -0.564 -3.503 0.330
195 HA ILE 29 HA ILE 29 -2.201 -1.486 -0.336
196 HB ILE 29 HB ILE 29 -2.923 -3.743 1.536
197 HG12 ILE 29 1HG1 ILE 29 -3.357 -3.500 -1.445
198 HG13 ILE 29 2HG1 ILE 29 -1.983 -4.333 -0.727
199 HG21 ILE 29 1HG2 ILE 29 -4.977 -2.918 1.680
200 HG22 ILE 29 2HG2 ILE 29 -4.444 -1.483 0.807
201 HG23 ILE 29 3HG2 ILE 29 -5.104 -2.858 -0.077
202 HD11 ILE 29 3HD1 ILE 29 -3.682 -5.765 0.491
203 HD12 ILE 29 1HD1 ILE 29 -4.884 -5.074 -0.598
204 HD13 ILE 29 2HD1 ILE 29 -3.534 -6.005 -1.250
205 H VAL 30 H VAL 30 -1.538 -2.428 3.033
206 HA VAL 30 HA VAL 30 -3.120 -0.548 4.318
207 HB VAL 30 HB VAL 30 -0.466 -1.696 5.186
208 HG11 VAL 30 1HG1 VAL 30 -2.335 0.187 6.515
209 HG12 VAL 30 2HG1 VAL 30 -1.611 -1.085 7.502
210 HG13 VAL 30 3HG1 VAL 30 -0.581 0.056 6.637
211 HG21 VAL 30 3HG2 VAL 30 -2.430 -2.795 6.745
212 HG22 VAL 30 1HG2 VAL 30 -3.223 -2.662 5.175
213 HG23 VAL 30 2HG2 VAL 30 -1.710 -3.555 5.326
214 H HIS 31 H HIS 31 0.149 -0.227 3.028
215 HA HIS 31 HA HIS 31 0.580 2.396 4.066
216 HB2 HIS 31 1HB HIS 31 2.510 1.084 3.563
217 HB3 HIS 31 2HB HIS 31 1.964 0.794 1.914
218 HD1 HIS 31 HD1 HIS 31 3.348 3.548 4.095
219 HD2 HIS 31 HD2 HIS 31 2.738 2.684 0.077
220 HE1 HIS 31 HE1 HIS 31 4.538 5.365 2.828
221 H GLN 32 H GLN 32 -1.109 1.138 1.364
222 HA GLN 32 HA GLN 32 -0.979 3.573 -0.191
223 HB2 GLN 32 1HB GLN 32 -2.582 1.036 -0.538
224 HB3 GLN 32 2HB GLN 32 -2.622 2.387 -1.664
225 HG2 GLN 32 1HG GLN 32 -0.161 2.103 -1.967
226 HG3 GLN 32 2HG GLN 32 -0.273 0.633 -1.000
227 HE21 GLN 32 1HE2 GLN 32 -0.141 1.749 -4.054
228 HE22 GLN 32 2HE2 GLN 32 -0.939 0.462 -4.884
229 H ARG 33 H ARG 33 -3.036 2.151 2.202
230 HA ARG 33 HA ARG 33 -5.486 3.289 1.754
231 HB2 ARG 33 1HB ARG 33 -4.082 3.028 4.419
232 HB3 ARG 33 2HB ARG 33 -5.810 3.264 4.199
233 HG2 ARG 33 1HG ARG 33 -5.930 1.117 3.004
234 HG3 ARG 33 2HG ARG 33 -4.207 0.879 3.302
235 HD2 ARG 33 1HD ARG 33 -4.536 0.726 5.639
236 HD3 ARG 33 2HD ARG 33 -6.185 1.338 5.519
237 HE ARG 33 HE ARG 33 -5.287 -1.369 5.038
238 HH11 ARG 33 1HH1 ARG 33 -7.821 0.979 4.609
239 HH12 ARG 33 2HH1 ARG 33 -9.059 -0.208 4.368
240 HH21 ARG 33 1HH2 ARG 33 -6.908 -2.942 4.722
241 HH22 ARG 33 2HH2 ARG 33 -8.539 -2.439 4.433
242 H THR 34 H THR 34 -2.669 4.804 3.279
243 HA THR 34 HA THR 34 -3.955 7.266 3.861
244 HB THR 34 HB THR 34 -1.904 6.573 5.021
245 HG1 THR 34 HG1 THR 34 -0.752 8.664 4.609
246 HG21 THR 34 3HG2 THR 34 0.161 6.327 4.012
247 HG22 THR 34 1HG2 THR 34 -0.279 7.324 2.626
248 HG23 THR 34 2HG2 THR 34 -0.912 5.683 2.770
249 H HIS 35 H HIS 35 -2.068 6.093 1.122
250 HA HIS 35 HA HIS 35 -1.791 8.553 -0.220
251 HB2 HIS 35 1HB HIS 35 -1.555 5.683 -0.965
252 HB3 HIS 35 2HB HIS 35 -1.734 6.844 -2.276
253 HD1 HIS 35 HD1 HIS 35 0.104 8.899 -2.136
254 HD2 HIS 35 HD2 HIS 35 1.005 5.362 -0.151
255 HE1 HIS 35 HE1 HIS 35 2.590 8.954 -1.758
256 H SER 36 H SER 36 -4.310 6.084 -0.295
257 HA SER 36 HA SER 36 -5.836 6.641 -2.415
258 HB2 SER 36 1HB SER 36 -6.815 6.320 0.429
259 HB3 SER 36 2HB SER 36 -7.863 6.244 -0.987
260 HG SER 36 HG SER 36 -5.626 4.632 -1.097
261 H GLY 37 H GLY 37 -5.827 8.611 0.547
262 HA2 GLY 37 1HA GLY 37 -7.751 10.473 -0.089
263 HA3 GLY 37 2HA GLY 37 -6.317 10.835 0.859
264 H GLU 38 H GLU 38 -4.564 11.849 -0.105
265 HA GLU 38 HA GLU 38 -5.168 13.556 -2.280
266 HB2 GLU 38 1HB GLU 38 -2.654 12.944 -0.751
267 HB3 GLU 38 2HB GLU 38 -2.621 14.001 -2.155
268 HG2 GLU 38 1HG GLU 38 -2.843 15.491 -0.417
269 HG3 GLU 38 2HG GLU 38 -4.511 15.278 -0.945
270 H SER 39 H SER 39 -3.987 13.707 -4.308
271 HA SER 39 HA SER 39 -2.471 11.524 -5.314
272 HB2 SER 39 1HB SER 39 -4.612 10.379 -5.363
273 HB3 SER 39 2HB SER 39 -5.355 11.735 -6.211
274 HG SER 39 HG SER 39 -4.848 10.411 -7.831
275 H GLY 40 H GLY 40 -1.980 11.781 -7.647
276 HA2 GLY 40 1HA GLY 40 -2.725 14.193 -8.993
277 HA3 GLY 40 2HA GLY 40 -1.118 14.311 -8.291
278 HA PRO 41 HA PRO 41 -0.667 12.554 -12.543
279 HB2 PRO 41 1HB PRO 41 1.472 14.092 -13.197
280 HB3 PRO 41 2HB PRO 41 -0.199 14.630 -13.410
281 HG2 PRO 41 1HG PRO 41 1.728 15.259 -11.206
282 HG3 PRO 41 2HG PRO 41 0.608 16.340 -12.056
283 HD2 PRO 41 1HD PRO 41 0.069 15.317 -9.608
284 HD3 PRO 41 2HD PRO 41 -1.201 15.660 -10.800
285 H SER 42 H SER 42 1.021 11.237 -13.374
286 HA SER 42 HA SER 42 2.497 9.845 -11.389
287 HB2 SER 42 1HB SER 42 2.664 9.720 -14.410
288 HB3 SER 42 2HB SER 42 3.446 8.583 -13.312
289 HG SER 42 HG SER 42 0.723 8.925 -13.889
290 H SER 43 H SER 43 4.196 10.717 -10.401
291 HA SER 43 HA SER 43 6.054 12.378 -11.953
292 HB2 SER 43 1HB SER 43 5.456 12.172 -9.009
293 HB3 SER 43 2HB SER 43 6.935 12.936 -9.589
294 HG SER 43 HG SER 43 5.738 14.638 -9.834
295 H GLY 44 H GLY 44 5.989 9.690 -9.632
296 HA2 GLY 44 1HA GLY 44 7.659 7.923 -10.682
297 HA3 GLY 44 2HA GLY 44 8.810 9.140 -10.148
Start of MODEL 3
1 H1 GLY 1 H GLY 1 29.521 9.425 -10.873
2 HA2 GLY 1 1HA GLY 1 26.882 10.029 -11.825
3 HA3 GLY 1 2HA GLY 1 27.326 8.715 -10.746
4 H SER 2 H SER 2 27.232 12.281 -10.660
5 HA SER 2 HA SER 2 26.527 12.221 -7.851
6 HB2 SER 2 1HB SER 2 27.210 14.373 -9.823
7 HB3 SER 2 2HB SER 2 26.396 14.801 -8.318
8 HG SER 2 HG SER 2 28.985 14.158 -8.738
9 H SER 3 H SER 3 25.051 13.376 -10.873
10 HA SER 3 HA SER 3 22.614 14.202 -9.729
11 HB2 SER 3 1HB SER 3 23.130 15.027 -11.896
12 HB3 SER 3 2HB SER 3 23.377 13.403 -12.538
13 HG SER 3 HG SER 3 21.278 13.150 -12.752
14 H GLY 4 H GLY 4 21.192 12.965 -8.706
15 HA2 GLY 4 1HA GLY 4 19.630 11.278 -8.424
16 HA3 GLY 4 2HA GLY 4 20.161 10.579 -9.946
17 H SER 5 H SER 5 19.943 9.996 -6.742
18 HA SER 5 HA SER 5 22.172 8.075 -6.836
19 HB2 SER 5 1HB SER 5 21.472 10.053 -4.714
20 HB3 SER 5 2HB SER 5 22.082 8.478 -4.207
21 HG SER 5 HG SER 5 23.604 10.357 -4.734
22 H SER 6 H SER 6 19.589 7.457 -7.628
23 HA SER 6 HA SER 6 18.013 6.368 -5.533
24 HB2 SER 6 1HB SER 6 18.029 6.132 -8.518
25 HB3 SER 6 2HB SER 6 17.053 5.007 -7.573
26 HG SER 6 HG SER 6 16.496 7.292 -6.542
27 H GLY 7 H GLY 7 17.405 3.934 -5.648
28 HA2 GLY 7 1HA GLY 7 19.792 2.273 -6.064
29 HA3 GLY 7 2HA GLY 7 19.040 2.289 -4.475
30 H THR 8 H THR 8 18.670 0.030 -4.668
31 HA THR 8 HA THR 8 16.345 -0.602 -6.361
32 HB THR 8 HB THR 8 18.380 -1.645 -7.307
33 HG1 THR 8 HG1 THR 8 16.398 -2.735 -7.554
34 HG21 THR 8 3HG2 THR 8 19.747 -3.103 -6.153
35 HG22 THR 8 1HG2 THR 8 18.511 -3.482 -4.954
36 HG23 THR 8 2HG2 THR 8 19.354 -1.934 -4.892
37 H ARG 9 H ARG 9 14.653 -1.304 -5.243
38 HA ARG 9 HA ARG 9 14.909 -1.865 -2.425
39 HB2 ARG 9 1HB ARG 9 12.607 -1.599 -4.330
40 HB3 ARG 9 2HB ARG 9 12.357 -2.293 -2.734
41 HG2 ARG 9 1HG ARG 9 11.826 -0.025 -2.514
42 HG3 ARG 9 2HG ARG 9 13.438 -0.189 -1.814
43 HD2 ARG 9 1HD ARG 9 14.281 0.446 -4.165
44 HD3 ARG 9 2HD ARG 9 12.634 1.011 -4.440
45 HE ARG 9 HE ARG 9 13.906 2.034 -2.053
46 HH11 ARG 9 1HH1 ARG 9 13.239 2.519 -5.435
47 HH12 ARG 9 2HH1 ARG 9 13.484 4.233 -5.371
48 HH21 ARG 9 1HH2 ARG 9 14.232 4.289 -1.956
49 HH22 ARG 9 2HH2 ARG 9 14.050 5.239 -3.392
50 H GLU 10 H GLU 10 15.064 -3.805 -1.504
51 HA GLU 10 HA GLU 10 15.046 -6.168 -3.181
52 HB2 GLU 10 1HB GLU 10 16.710 -5.573 -1.261
53 HB3 GLU 10 2HB GLU 10 15.454 -6.214 -0.211
54 HG2 GLU 10 1HG GLU 10 15.709 -8.358 -0.975
55 HG3 GLU 10 2HG GLU 10 16.360 -7.842 -2.530
56 H LYS 11 H LYS 11 12.523 -5.063 -3.037
57 HA LYS 11 HA LYS 11 11.076 -7.183 -1.622
58 HB2 LYS 11 1HB LYS 11 10.804 -4.255 -1.225
59 HB3 LYS 11 2HB LYS 11 9.311 -5.179 -1.305
60 HG2 LYS 11 1HG LYS 11 9.745 -6.316 0.637
61 HG3 LYS 11 2HG LYS 11 11.493 -6.129 0.483
62 HD2 LYS 11 1HD LYS 11 9.716 -3.757 0.945
63 HD3 LYS 11 2HD LYS 11 10.262 -4.762 2.290
64 HE2 LYS 11 1HE LYS 11 12.540 -4.277 1.838
65 HE3 LYS 11 2HE LYS 11 12.147 -3.546 0.283
66 HZ1 LYS 11 3HZ LYS 11 10.736 -2.225 2.335
67 HZ2 LYS 11 1HZ LYS 11 11.893 -1.597 1.272
68 HZ3 LYS 11 2HZ LYS 11 12.377 -2.279 2.742
69 HA PRO 12 HA PRO 12 9.044 -7.569 -5.516
70 HB2 PRO 12 1HB PRO 12 6.903 -9.026 -4.703
71 HB3 PRO 12 2HB PRO 12 8.527 -9.708 -4.856
72 HG2 PRO 12 1HG PRO 12 7.100 -8.747 -2.406
73 HG3 PRO 12 2HG PRO 12 8.089 -10.203 -2.627
74 HD2 PRO 12 1HD PRO 12 9.038 -7.963 -1.437
75 HD3 PRO 12 2HD PRO 12 10.069 -9.045 -2.395
76 H TYR 13 H TYR 13 7.042 -6.692 -2.707
77 HA TYR 13 HA TYR 13 5.074 -5.400 -4.386
78 HB2 TYR 13 1HB TYR 13 5.330 -5.512 -1.374
79 HB3 TYR 13 2HB TYR 13 3.951 -4.860 -2.253
80 HD1 TYR 13 HD2 TYR 13 2.559 -6.408 -3.658
81 HD2 TYR 13 HD1 TYR 13 5.543 -7.836 -0.982
82 HE1 TYR 13 HE2 TYR 13 1.535 -8.643 -3.718
83 HE2 TYR 13 HE1 TYR 13 4.527 -10.076 -1.036
84 HH TYR 13 HH TYR 13 1.735 -10.813 -1.723
85 H GLU 14 H GLU 14 5.108 -3.344 -4.999
86 HA GLU 14 HA GLU 14 6.626 -1.403 -3.400
87 HB2 GLU 14 1HB GLU 14 7.042 -2.158 -6.230
88 HB3 GLU 14 2HB GLU 14 7.047 -0.433 -5.890
89 HG2 GLU 14 1HG GLU 14 8.976 -0.526 -4.704
90 HG3 GLU 14 2HG GLU 14 8.675 -2.164 -4.127
91 H CYS 15 H CYS 15 5.775 0.645 -3.308
92 HA CYS 15 HA CYS 15 2.997 0.910 -3.860
93 HB2 CYS 15 1HB CYS 15 4.168 2.009 -1.949
94 HB3 CYS 15 2HB CYS 15 4.965 3.077 -3.099
95 H SER 16 H SER 16 2.025 1.565 -5.655
96 HA SER 16 HA SER 16 3.595 2.454 -7.907
97 HB2 SER 16 1HB SER 16 1.526 0.870 -7.917
98 HB3 SER 16 2HB SER 16 0.591 2.365 -7.881
99 HG SER 16 HG SER 16 1.471 2.956 -9.821
100 H GLU 17 H GLU 17 3.034 4.135 -5.397
101 HA GLU 17 HA GLU 17 2.021 6.519 -6.804
102 HB2 GLU 17 1HB GLU 17 2.006 6.073 -3.819
103 HB3 GLU 17 2HB GLU 17 1.223 7.372 -4.707
104 HG2 GLU 17 1HG GLU 17 0.005 5.322 -5.870
105 HG3 GLU 17 2HG GLU 17 0.391 4.558 -4.330
106 H CYS 18 H CYS 18 4.241 5.491 -4.217
107 HA CYS 18 HA CYS 18 5.937 7.809 -4.868
108 HB2 CYS 18 1HB CYS 18 6.857 7.576 -2.584
109 HB3 CYS 18 2HB CYS 18 5.123 7.880 -2.577
110 H GLY 19 H GLY 19 5.957 4.357 -4.090
111 HA2 GLY 19 1HA GLY 19 7.451 3.044 -5.614
112 HA3 GLY 19 2HA GLY 19 8.693 4.217 -5.201
113 H LYS 20 H LYS 20 6.748 3.599 -2.546
114 HA LYS 20 HA LYS 20 8.708 2.602 -0.912
115 HB2 LYS 20 1HB LYS 20 6.291 3.389 -0.373
116 HB3 LYS 20 2HB LYS 20 5.864 1.695 -0.577
117 HG2 LYS 20 1HG LYS 20 6.937 1.048 1.323
118 HG3 LYS 20 2HG LYS 20 8.131 2.344 1.223
119 HD2 LYS 20 1HD LYS 20 6.289 3.952 1.795
120 HD3 LYS 20 2HD LYS 20 5.257 2.555 2.108
121 HE2 LYS 20 1HE LYS 20 7.904 3.025 3.470
122 HE3 LYS 20 2HE LYS 20 6.356 3.545 4.135
123 HZ1 LYS 20 3HZ LYS 20 7.197 1.360 4.965
124 HZ2 LYS 20 1HZ LYS 20 6.944 0.730 3.415
125 HZ3 LYS 20 2HZ LYS 20 5.636 1.315 4.315
126 H ALA 21 H ALA 21 8.419 0.343 0.255
127 HA ALA 21 HA ALA 21 8.016 -1.790 -1.707
128 HB1 ALA 21 3HB ALA 21 10.418 -2.195 -0.089
129 HB2 ALA 21 1HB ALA 21 10.143 -2.479 -1.808
130 HB3 ALA 21 2HB ALA 21 10.537 -0.858 -1.233
131 H PHE 22 H PHE 22 7.594 -3.833 -0.807
132 HA PHE 22 HA PHE 22 7.458 -4.070 2.091
133 HB2 PHE 22 1HB PHE 22 5.015 -4.432 0.342
134 HB3 PHE 22 2HB PHE 22 5.100 -4.755 2.071
135 HD1 PHE 22 HD1 PHE 22 5.263 -2.091 -0.480
136 HD2 PHE 22 HD2 PHE 22 4.837 -3.029 3.650
137 HE1 PHE 22 HE1 PHE 22 4.626 0.241 -0.019
138 HE2 PHE 22 HE2 PHE 22 4.199 -0.699 4.117
139 HZ PHE 22 HZ PHE 22 4.092 0.939 2.281
140 H ILE 23 H ILE 23 6.802 -6.307 2.750
141 HA ILE 23 HA ILE 23 8.098 -8.220 0.967
142 HB ILE 23 HB ILE 23 7.190 -8.584 3.824
143 HG12 ILE 23 1HG1 ILE 23 9.855 -8.610 4.000
144 HG13 ILE 23 2HG1 ILE 23 9.703 -7.564 2.592
145 HG21 ILE 23 1HG2 ILE 23 8.904 -10.298 2.033
146 HG22 ILE 23 2HG2 ILE 23 8.690 -10.555 3.763
147 HG23 ILE 23 3HG2 ILE 23 7.310 -10.695 2.674
148 HD11 ILE 23 3HD1 ILE 23 9.230 -5.842 3.888
149 HD12 ILE 23 1HD1 ILE 23 7.871 -6.708 4.604
150 HD13 ILE 23 2HD1 ILE 23 9.484 -6.868 5.299
151 H ARG 24 H ARG 24 5.004 -7.632 2.542
152 HA ARG 24 HA ARG 24 3.842 -9.785 0.900
153 HB2 ARG 24 1HB ARG 24 2.901 -8.914 3.638
154 HB3 ARG 24 2HB ARG 24 2.221 -10.211 2.663
155 HG2 ARG 24 1HG ARG 24 5.036 -10.179 3.728
156 HG3 ARG 24 2HG ARG 24 3.677 -10.996 4.503
157 HD2 ARG 24 1HD ARG 24 3.412 -12.088 2.123
158 HD3 ARG 24 2HD ARG 24 5.117 -11.664 1.981
159 HE ARG 24 HE ARG 24 4.404 -13.095 4.390
160 HH11 ARG 24 1HH1 ARG 24 5.512 -13.311 1.096
161 HH12 ARG 24 2HH1 ARG 24 6.232 -14.873 1.304
162 HH21 ARG 24 1HH2 ARG 24 5.348 -15.152 4.675
163 HH22 ARG 24 2HH2 ARG 24 6.138 -15.920 3.339
164 H ASN 25 H ASN 25 2.062 -9.299 -0.277
165 HA ASN 25 HA ASN 25 1.472 -6.800 -1.137
166 HB2 ASN 25 1HB ASN 25 0.521 -9.152 -1.834
167 HB3 ASN 25 2HB ASN 25 -0.819 -8.696 -0.787
168 HD21 ASN 25 1HD2 ASN 25 -0.858 -5.954 -1.282
169 HD22 ASN 25 2HD2 ASN 25 -1.368 -5.697 -2.913
170 H SER 26 H SER 26 -0.417 -8.485 1.380
171 HA SER 26 HA SER 26 -2.195 -6.573 2.095
172 HB2 SER 26 1HB SER 26 -0.725 -8.639 3.670
173 HB3 SER 26 2HB SER 26 -1.679 -7.447 4.552
174 HG SER 26 HG SER 26 -2.879 -9.336 3.992
175 H GLN 27 H GLN 27 1.195 -6.720 3.106
176 HA GLN 27 HA GLN 27 1.176 -4.566 4.887
177 HB2 GLN 27 1HB GLN 27 3.452 -5.436 3.099
178 HB3 GLN 27 2HB GLN 27 3.590 -4.486 4.572
179 HG2 GLN 27 1HG GLN 27 2.289 -7.147 4.743
180 HG3 GLN 27 2HG GLN 27 4.038 -7.083 4.536
181 HE21 GLN 27 1HE2 GLN 27 4.902 -7.500 6.443
182 HE22 GLN 27 2HE2 GLN 27 4.465 -6.753 7.938
183 H LEU 28 H LEU 28 1.722 -4.654 1.389
184 HA LEU 28 HA LEU 28 2.327 -1.905 1.108
185 HB2 LEU 28 1HB LEU 28 3.004 -3.281 -0.654
186 HB3 LEU 28 2HB LEU 28 1.423 -4.049 -0.779
187 HG LEU 28 HG LEU 28 0.519 -1.929 -1.698
188 HD11 LEU 28 1HD1 LEU 28 2.799 -0.638 -2.610
189 HD12 LEU 28 2HD1 LEU 28 3.134 -0.980 -0.913
190 HD13 LEU 28 3HD1 LEU 28 1.690 -0.071 -1.361
191 HD21 LEU 28 3HD2 LEU 28 0.899 -3.245 -3.483
192 HD22 LEU 28 1HD2 LEU 28 2.545 -3.631 -2.981
193 HD23 LEU 28 2HD2 LEU 28 2.209 -2.107 -3.803
194 H ILE 29 H ILE 29 -0.673 -3.730 0.513
195 HA ILE 29 HA ILE 29 -2.349 -1.769 -0.347
196 HB ILE 29 HB ILE 29 -3.019 -3.923 1.661
197 HG12 ILE 29 1HG1 ILE 29 -3.491 -3.905 -1.321
198 HG13 ILE 29 2HG1 ILE 29 -2.052 -4.603 -0.587
199 HG21 ILE 29 1HG2 ILE 29 -4.756 -2.306 1.756
200 HG22 ILE 29 2HG2 ILE 29 -4.785 -2.140 0.001
201 HG23 ILE 29 3HG2 ILE 29 -5.345 -3.633 0.755
202 HD11 ILE 29 3HD1 ILE 29 -3.141 -6.496 -0.284
203 HD12 ILE 29 1HD1 ILE 29 -4.297 -5.667 0.759
204 HD13 ILE 29 2HD1 ILE 29 -4.598 -5.781 -0.975
205 H VAL 30 H VAL 30 -1.752 -2.556 3.080
206 HA VAL 30 HA VAL 30 -3.325 -0.630 4.265
207 HB VAL 30 HB VAL 30 -0.626 -1.619 5.197
208 HG11 VAL 30 1HG1 VAL 30 -2.593 -0.748 7.188
209 HG12 VAL 30 2HG1 VAL 30 -0.850 -0.477 7.117
210 HG13 VAL 30 3HG1 VAL 30 -1.942 0.548 6.184
211 HG21 VAL 30 3HG2 VAL 30 -2.087 -3.059 6.681
212 HG22 VAL 30 1HG2 VAL 30 -3.438 -2.587 5.650
213 HG23 VAL 30 2HG2 VAL 30 -2.076 -3.475 4.967
214 H HIS 31 H HIS 31 -0.058 -0.302 2.964
215 HA HIS 31 HA HIS 31 0.392 2.338 3.878
216 HB2 HIS 31 1HB HIS 31 2.268 0.987 3.211
217 HB3 HIS 31 2HB HIS 31 1.605 0.776 1.593
218 HD1 HIS 31 HD1 HIS 31 2.728 3.689 3.778
219 HD2 HIS 31 HD2 HIS 31 2.713 2.467 -0.193
220 HE1 HIS 31 HE1 HIS 31 3.960 5.483 2.518
221 H GLN 32 H GLN 32 -0.943 1.020 0.883
222 HA GLN 32 HA GLN 32 -1.099 3.392 -0.584
223 HB2 GLN 32 1HB GLN 32 -2.935 0.991 -0.650
224 HB3 GLN 32 2HB GLN 32 -2.882 2.253 -1.874
225 HG2 GLN 32 1HG GLN 32 -0.432 1.657 -2.165
226 HG3 GLN 32 2HG GLN 32 -0.782 0.220 -1.207
227 HE21 GLN 32 1HE2 GLN 32 -0.265 1.084 -4.206
228 HE22 GLN 32 2HE2 GLN 32 -1.342 0.038 -5.061
229 H ARG 33 H ARG 33 -3.137 2.125 1.954
230 HA ARG 33 HA ARG 33 -5.444 3.619 1.590
231 HB2 ARG 33 1HB ARG 33 -4.154 2.878 4.222
232 HB3 ARG 33 2HB ARG 33 -5.838 3.327 3.988
233 HG2 ARG 33 1HG ARG 33 -5.810 1.311 2.308
234 HG3 ARG 33 2HG ARG 33 -4.430 0.805 3.286
235 HD2 ARG 33 1HD ARG 33 -6.941 1.653 4.651
236 HD3 ARG 33 2HD ARG 33 -6.875 0.059 3.899
237 HE ARG 33 HE ARG 33 -4.611 0.181 5.408
238 HH11 ARG 33 1HH1 ARG 33 -8.005 0.617 6.048
239 HH12 ARG 33 2HH1 ARG 33 -7.901 0.060 7.685
240 HH21 ARG 33 1HH2 ARG 33 -4.461 -0.555 7.562
241 HH22 ARG 33 2HH2 ARG 33 -5.885 -0.606 8.545
242 H THR 34 H THR 34 -2.388 4.528 3.089
243 HA THR 34 HA THR 34 -3.214 6.992 4.173
244 HB THR 34 HB THR 34 -0.875 7.562 4.347
245 HG1 THR 34 HG1 THR 34 0.222 7.021 2.598
246 HG21 THR 34 3HG2 THR 34 0.018 5.460 5.394
247 HG22 THR 34 1HG2 THR 34 -1.421 4.630 4.803
248 HG23 THR 34 2HG2 THR 34 -1.578 5.947 5.965
249 H HIS 35 H HIS 35 -1.960 6.104 0.996
250 HA HIS 35 HA HIS 35 -1.642 8.736 0.012
251 HB2 HIS 35 1HB HIS 35 -1.752 6.010 -1.175
252 HB3 HIS 35 2HB HIS 35 -2.022 7.372 -2.258
253 HD1 HIS 35 HD1 HIS 35 -0.021 9.270 -2.098
254 HD2 HIS 35 HD2 HIS 35 0.863 5.413 -0.830
255 HE1 HIS 35 HE1 HIS 35 2.489 9.118 -2.108
256 H SER 36 H SER 36 -4.330 6.444 -0.085
257 HA SER 36 HA SER 36 -5.996 8.047 -1.742
258 HB2 SER 36 1HB SER 36 -7.773 6.490 -1.140
259 HB3 SER 36 2HB SER 36 -6.290 5.597 -1.478
260 HG SER 36 HG SER 36 -6.798 4.739 0.399
261 H GLY 37 H GLY 37 -7.771 9.331 -1.190
262 HA2 GLY 37 1HA GLY 37 -9.255 10.122 0.634
263 HA3 GLY 37 2HA GLY 37 -7.810 10.225 1.627
264 H GLU 38 H GLU 38 -9.738 12.312 0.970
265 HA GLU 38 HA GLU 38 -9.776 14.520 0.420
266 HB2 GLU 38 1HB GLU 38 -6.880 13.977 0.882
267 HB3 GLU 38 2HB GLU 38 -7.331 15.518 0.168
268 HG2 GLU 38 1HG GLU 38 -8.605 16.133 2.055
269 HG3 GLU 38 2HG GLU 38 -8.546 14.500 2.716
270 H SER 39 H SER 39 -10.114 12.751 -1.696
271 HA SER 39 HA SER 39 -8.478 13.635 -3.914
272 HB2 SER 39 1HB SER 39 -9.140 11.333 -3.961
273 HB3 SER 39 2HB SER 39 -10.837 11.754 -3.726
274 HG SER 39 HG SER 39 -9.303 12.528 -5.983
275 H GLY 40 H GLY 40 -9.158 14.872 -5.657
276 HA2 GLY 40 1HA GLY 40 -11.776 15.792 -6.088
277 HA3 GLY 40 2HA GLY 40 -10.930 16.981 -5.108
278 HA PRO 41 HA PRO 41 -9.371 18.785 -8.792
279 HB2 PRO 41 1HB PRO 41 -7.131 19.974 -7.822
280 HB3 PRO 41 2HB PRO 41 -8.759 20.577 -7.491
281 HG2 PRO 41 1HG PRO 41 -6.978 18.891 -5.774
282 HG3 PRO 41 2HG PRO 41 -7.989 20.274 -5.318
283 HD2 PRO 41 1HD PRO 41 -8.747 17.711 -4.886
284 HD3 PRO 41 2HD PRO 41 -9.911 19.004 -5.238
285 H SER 42 H SER 42 -7.256 18.987 -10.052
286 HA SER 42 HA SER 42 -6.361 16.671 -11.037
287 HB2 SER 42 1HB SER 42 -4.184 17.821 -11.578
288 HB3 SER 42 2HB SER 42 -5.625 18.737 -12.017
289 HG SER 42 HG SER 42 -5.345 19.864 -9.988
290 H SER 43 H SER 43 -5.134 14.980 -10.467
291 HA SER 43 HA SER 43 -4.593 14.171 -7.978
292 HB2 SER 43 1HB SER 43 -4.164 12.744 -9.903
293 HB3 SER 43 2HB SER 43 -2.784 13.739 -10.368
294 HG SER 43 HG SER 43 -2.734 11.656 -8.817
295 H GLY 44 H GLY 44 -2.884 14.234 -6.485
296 HA2 GLY 44 1HA GLY 44 -1.804 16.599 -5.772
297 HA3 GLY 44 2HA GLY 44 -0.993 15.075 -5.445
Start of MODEL 4
1 H1 GLY 1 H GLY 1 38.691 -2.257 -2.764
2 HA2 GLY 1 1HA GLY 1 36.049 -2.144 -2.702
3 HA3 GLY 1 2HA GLY 1 36.962 -2.002 -1.207
4 H SER 2 H SER 2 34.423 -0.739 -2.584
5 HA SER 2 HA SER 2 34.770 1.829 -1.280
6 HB2 SER 2 1HB SER 2 35.553 2.216 -3.610
7 HB3 SER 2 2HB SER 2 33.975 1.692 -4.199
8 HG SER 2 HG SER 2 33.321 3.469 -2.524
9 H SER 3 H SER 3 33.030 2.101 -0.068
10 HA SER 3 HA SER 3 30.655 0.562 -0.458
11 HB2 SER 3 1HB SER 3 31.242 2.846 1.441
12 HB3 SER 3 2HB SER 3 29.800 1.833 1.501
13 HG SER 3 HG SER 3 31.924 0.242 1.432
14 H GLY 4 H GLY 4 29.494 1.045 -2.244
15 HA2 GLY 4 1HA GLY 4 29.184 3.597 -3.372
16 HA3 GLY 4 2HA GLY 4 28.133 2.220 -3.669
17 H SER 5 H SER 5 26.091 2.786 -3.363
18 HA SER 5 HA SER 5 25.448 4.722 -1.255
19 HB2 SER 5 1HB SER 5 24.001 3.825 -3.739
20 HB3 SER 5 2HB SER 5 23.161 4.691 -2.454
21 HG SER 5 HG SER 5 23.941 6.430 -3.314
22 H SER 6 H SER 6 24.502 1.539 -2.490
23 HA SER 6 HA SER 6 23.395 -0.207 -1.539
24 HB2 SER 6 1HB SER 6 25.359 0.170 0.086
25 HB3 SER 6 2HB SER 6 24.165 0.907 1.153
26 HG SER 6 HG SER 6 24.608 -1.724 0.589
27 H GLY 7 H GLY 7 21.786 1.957 -2.190
28 HA2 GLY 7 1HA GLY 7 19.760 1.821 -0.045
29 HA3 GLY 7 2HA GLY 7 20.077 3.311 -0.921
30 H THR 8 H THR 8 19.539 -0.091 -1.847
31 HA THR 8 HA THR 8 17.431 0.858 -3.676
32 HB THR 8 HB THR 8 18.021 -0.943 -5.229
33 HG1 THR 8 HG1 THR 8 19.135 -2.104 -3.292
34 HG21 THR 8 3HG2 THR 8 20.583 -0.055 -5.478
35 HG22 THR 8 1HG2 THR 8 19.863 1.227 -4.505
36 HG23 THR 8 2HG2 THR 8 19.163 0.808 -6.068
37 H ARG 9 H ARG 9 15.511 0.187 -2.996
38 HA ARG 9 HA ARG 9 15.047 -1.752 -1.053
39 HB2 ARG 9 1HB ARG 9 13.268 -0.565 -3.175
40 HB3 ARG 9 2HB ARG 9 12.670 -1.736 -2.007
41 HG2 ARG 9 1HG ARG 9 14.075 0.740 -1.094
42 HG3 ARG 9 2HG ARG 9 12.366 0.776 -1.533
43 HD2 ARG 9 1HD ARG 9 11.801 -0.773 0.160
44 HD3 ARG 9 2HD ARG 9 13.489 -1.201 0.433
45 HE ARG 9 HE ARG 9 13.442 1.422 1.039
46 HH11 ARG 9 1HH1 ARG 9 11.462 -1.266 2.027
47 HH12 ARG 9 2HH1 ARG 9 11.107 -0.600 3.586
48 HH21 ARG 9 1HH2 ARG 9 12.982 2.309 3.090
49 HH22 ARG 9 2HH2 ARG 9 11.971 1.434 4.190
50 H GLU 10 H GLU 10 14.442 -3.896 -1.105
51 HA GLU 10 HA GLU 10 14.920 -5.274 -3.663
52 HB2 GLU 10 1HB GLU 10 15.567 -7.230 -2.346
53 HB3 GLU 10 2HB GLU 10 16.547 -5.834 -1.920
54 HG2 GLU 10 1HG GLU 10 15.364 -5.518 0.113
55 HG3 GLU 10 2HG GLU 10 14.137 -6.698 -0.347
56 H LYS 11 H LYS 11 12.809 -5.047 -0.865
57 HA LYS 11 HA LYS 11 11.128 -7.111 -0.969
58 HB2 LYS 11 1HB LYS 11 10.641 -4.201 -0.601
59 HB3 LYS 11 2HB LYS 11 9.232 -5.233 -0.806
60 HG2 LYS 11 1HG LYS 11 9.413 -5.313 1.451
61 HG3 LYS 11 2HG LYS 11 10.470 -6.667 1.043
62 HD2 LYS 11 1HD LYS 11 12.385 -5.499 1.549
63 HD3 LYS 11 2HD LYS 11 11.640 -3.930 1.232
64 HE2 LYS 11 1HE LYS 11 11.710 -3.842 3.506
65 HE3 LYS 11 2HE LYS 11 10.151 -4.641 3.307
66 HZ1 LYS 11 3HZ LYS 11 11.589 -5.719 4.967
67 HZ2 LYS 11 1HZ LYS 11 12.722 -6.058 3.757
68 HZ3 LYS 11 2HZ LYS 11 11.183 -6.757 3.695
69 HA PRO 12 HA PRO 12 9.502 -7.551 -5.037
70 HB2 PRO 12 1HB PRO 12 7.277 -8.991 -4.451
71 HB3 PRO 12 2HB PRO 12 8.905 -9.678 -4.405
72 HG2 PRO 12 1HG PRO 12 7.209 -8.672 -2.152
73 HG3 PRO 12 2HG PRO 12 8.211 -10.132 -2.232
74 HD2 PRO 12 1HD PRO 12 9.025 -7.874 -0.979
75 HD3 PRO 12 2HD PRO 12 10.155 -8.974 -1.794
76 H TYR 13 H TYR 13 7.014 -6.834 -2.577
77 HA TYR 13 HA TYR 13 5.291 -5.541 -4.446
78 HB2 TYR 13 1HB TYR 13 5.288 -5.482 -1.421
79 HB3 TYR 13 2HB TYR 13 3.986 -4.893 -2.449
80 HD1 TYR 13 HD2 TYR 13 2.545 -6.451 -3.648
81 HD2 TYR 13 HD1 TYR 13 5.660 -7.857 -1.115
82 HE1 TYR 13 HE2 TYR 13 1.541 -8.696 -3.670
83 HE2 TYR 13 HE1 TYR 13 4.666 -10.107 -1.131
84 HH TYR 13 HH TYR 13 1.794 -10.844 -1.747
85 H GLU 14 H GLU 14 5.050 -3.420 -4.926
86 HA GLU 14 HA GLU 14 6.663 -1.459 -3.456
87 HB2 GLU 14 1HB GLU 14 6.884 -2.199 -6.312
88 HB3 GLU 14 2HB GLU 14 6.885 -0.475 -5.964
89 HG2 GLU 14 1HG GLU 14 8.897 -0.539 -4.923
90 HG3 GLU 14 2HG GLU 14 8.667 -2.185 -4.335
91 H CYS 15 H CYS 15 5.843 0.638 -3.426
92 HA CYS 15 HA CYS 15 2.997 0.820 -3.811
93 HB2 CYS 15 1HB CYS 15 4.215 1.831 -1.863
94 HB3 CYS 15 2HB CYS 15 4.915 3.002 -2.976
95 H SER 16 H SER 16 1.979 1.567 -5.546
96 HA SER 16 HA SER 16 3.501 2.620 -7.764
97 HB2 SER 16 1HB SER 16 1.595 0.975 -8.004
98 HB3 SER 16 2HB SER 16 0.500 2.292 -7.582
99 HG SER 16 HG SER 16 2.235 2.130 -9.819
100 H GLU 17 H GLU 17 2.980 4.149 -5.174
101 HA GLU 17 HA GLU 17 1.830 6.566 -6.405
102 HB2 GLU 17 1HB GLU 17 1.980 5.953 -3.451
103 HB3 GLU 17 2HB GLU 17 1.132 7.289 -4.217
104 HG2 GLU 17 1HG GLU 17 0.375 4.526 -4.992
105 HG3 GLU 17 2HG GLU 17 -0.123 5.118 -3.408
106 H CYS 18 H CYS 18 4.302 5.381 -4.154
107 HA CYS 18 HA CYS 18 5.885 7.793 -4.762
108 HB2 CYS 18 1HB CYS 18 6.896 7.561 -2.511
109 HB3 CYS 18 2HB CYS 18 5.162 7.860 -2.444
110 H GLY 19 H GLY 19 5.937 4.331 -4.078
111 HA2 GLY 19 1HA GLY 19 7.406 3.051 -5.634
112 HA3 GLY 19 2HA GLY 19 8.649 4.232 -5.251
113 H LYS 20 H LYS 20 6.838 3.613 -2.521
114 HA LYS 20 HA LYS 20 8.884 2.558 -1.013
115 HB2 LYS 20 1HB LYS 20 6.623 3.483 -0.246
116 HB3 LYS 20 2HB LYS 20 5.993 1.864 -0.517
117 HG2 LYS 20 1HG LYS 20 7.147 0.968 1.249
118 HG3 LYS 20 2HG LYS 20 8.409 2.201 1.190
119 HD2 LYS 20 1HD LYS 20 6.779 3.859 2.028
120 HD3 LYS 20 2HD LYS 20 5.574 2.575 2.158
121 HE2 LYS 20 1HE LYS 20 8.229 2.321 3.520
122 HE3 LYS 20 2HE LYS 20 6.931 3.259 4.257
123 HZ1 LYS 20 3HZ LYS 20 7.193 0.393 3.947
124 HZ2 LYS 20 1HZ LYS 20 5.651 1.004 3.615
125 HZ3 LYS 20 2HZ LYS 20 6.365 1.284 5.122
126 H ALA 21 H ALA 21 8.581 0.323 0.191
127 HA ALA 21 HA ALA 21 8.003 -1.787 -1.765
128 HB1 ALA 21 3HB ALA 21 10.077 -2.683 -1.761
129 HB2 ALA 21 1HB ALA 21 10.548 -1.027 -1.378
130 HB3 ALA 21 2HB ALA 21 10.393 -2.222 -0.089
131 H PHE 22 H PHE 22 7.497 -3.824 -0.865
132 HA PHE 22 HA PHE 22 7.267 -4.015 2.034
133 HB2 PHE 22 1HB PHE 22 4.874 -4.436 0.232
134 HB3 PHE 22 2HB PHE 22 4.910 -4.589 1.986
135 HD1 PHE 22 HD1 PHE 22 5.434 -2.131 -0.751
136 HD2 PHE 22 HD2 PHE 22 4.386 -2.771 3.324
137 HE1 PHE 22 HE1 PHE 22 4.827 0.244 -0.538
138 HE2 PHE 22 HE2 PHE 22 3.776 -0.398 3.544
139 HZ PHE 22 HZ PHE 22 3.995 1.113 1.611
140 H ILE 23 H ILE 23 6.935 -6.168 2.796
141 HA ILE 23 HA ILE 23 8.160 -8.143 1.099
142 HB ILE 23 HB ILE 23 7.001 -8.511 3.863
143 HG12 ILE 23 1HG1 ILE 23 9.638 -8.435 4.302
144 HG13 ILE 23 2HG1 ILE 23 9.579 -7.379 2.895
145 HG21 ILE 23 1HG2 ILE 23 9.119 -10.126 2.457
146 HG22 ILE 23 2HG2 ILE 23 8.325 -10.489 3.989
147 HG23 ILE 23 3HG2 ILE 23 7.410 -10.561 2.484
148 HD11 ILE 23 3HD1 ILE 23 7.595 -6.791 4.972
149 HD12 ILE 23 1HD1 ILE 23 9.277 -6.552 5.443
150 HD13 ILE 23 2HD1 ILE 23 8.626 -5.707 4.038
151 H ARG 24 H ARG 24 4.961 -7.591 2.494
152 HA ARG 24 HA ARG 24 3.906 -9.662 0.686
153 HB2 ARG 24 1HB ARG 24 2.864 -9.027 3.452
154 HB3 ARG 24 2HB ARG 24 2.239 -10.254 2.358
155 HG2 ARG 24 1HG ARG 24 5.059 -10.290 3.391
156 HG3 ARG 24 2HG ARG 24 3.716 -11.063 4.237
157 HD2 ARG 24 1HD ARG 24 3.245 -12.346 2.143
158 HD3 ARG 24 2HD ARG 24 4.730 -11.677 1.466
159 HE ARG 24 HE ARG 24 5.596 -12.782 3.754
160 HH11 ARG 24 1HH1 ARG 24 3.585 -13.998 1.185
161 HH12 ARG 24 2HH1 ARG 24 4.090 -15.643 1.393
162 HH21 ARG 24 1HH2 ARG 24 6.268 -14.943 4.038
163 HH22 ARG 24 2HH2 ARG 24 5.615 -16.179 3.017
164 H ASN 25 H ASN 25 1.978 -9.217 -0.348
165 HA ASN 25 HA ASN 25 1.402 -6.671 -1.138
166 HB2 ASN 25 1HB ASN 25 0.451 -9.007 -1.904
167 HB3 ASN 25 2HB ASN 25 -0.882 -8.581 -0.835
168 HD21 ASN 25 1HD2 ASN 25 -0.784 -5.779 -1.283
169 HD22 ASN 25 2HD2 ASN 25 -1.355 -5.489 -2.887
170 H SER 26 H SER 26 -0.469 -8.463 1.317
171 HA SER 26 HA SER 26 -2.236 -6.585 2.133
172 HB2 SER 26 1HB SER 26 -1.847 -8.941 3.075
173 HB3 SER 26 2HB SER 26 -0.692 -8.184 4.172
174 HG SER 26 HG SER 26 -2.528 -6.726 4.696
175 H GLN 27 H GLN 27 1.190 -6.693 2.933
176 HA GLN 27 HA GLN 27 1.169 -4.622 4.854
177 HB2 GLN 27 1HB GLN 27 3.447 -5.445 3.047
178 HB3 GLN 27 2HB GLN 27 3.579 -4.558 4.560
179 HG2 GLN 27 1HG GLN 27 2.265 -7.217 4.612
180 HG3 GLN 27 2HG GLN 27 4.016 -7.153 4.417
181 HE21 GLN 27 1HE2 GLN 27 4.734 -7.805 6.343
182 HE22 GLN 27 2HE2 GLN 27 4.344 -7.060 7.853
183 H LEU 28 H LEU 28 1.859 -4.616 1.369
184 HA LEU 28 HA LEU 28 2.441 -1.877 1.149
185 HB2 LEU 28 1HB LEU 28 3.101 -3.174 -0.660
186 HB3 LEU 28 2HB LEU 28 1.539 -3.983 -0.773
187 HG LEU 28 HG LEU 28 0.555 -1.924 -1.685
188 HD11 LEU 28 1HD1 LEU 28 1.653 0.044 -1.918
189 HD12 LEU 28 2HD1 LEU 28 3.223 -0.728 -2.143
190 HD13 LEU 28 3HD1 LEU 28 2.539 -0.576 -0.524
191 HD21 LEU 28 3HD2 LEU 28 2.174 -3.743 -2.966
192 HD22 LEU 28 1HD2 LEU 28 2.808 -2.189 -3.507
193 HD23 LEU 28 2HD2 LEU 28 1.104 -2.577 -3.747
194 H ILE 29 H ILE 29 -0.575 -3.609 0.351
195 HA ILE 29 HA ILE 29 -2.200 -1.570 -0.384
196 HB ILE 29 HB ILE 29 -2.967 -3.830 1.466
197 HG12 ILE 29 1HG1 ILE 29 -3.443 -3.704 -1.500
198 HG13 ILE 29 2HG1 ILE 29 -1.913 -4.293 -0.858
199 HG21 ILE 29 1HG2 ILE 29 -4.533 -1.804 1.272
200 HG22 ILE 29 2HG2 ILE 29 -4.827 -2.366 -0.372
201 HG23 ILE 29 3HG2 ILE 29 -5.213 -3.408 0.997
202 HD11 ILE 29 3HD1 ILE 29 -4.437 -5.638 -1.101
203 HD12 ILE 29 1HD1 ILE 29 -2.845 -6.291 -0.714
204 HD13 ILE 29 2HD1 ILE 29 -3.875 -5.657 0.571
205 H VAL 30 H VAL 30 -1.672 -2.589 2.991
206 HA VAL 30 HA VAL 30 -3.253 -0.775 4.304
207 HB VAL 30 HB VAL 30 -0.509 -1.715 5.152
208 HG11 VAL 30 1HG1 VAL 30 -2.518 -1.060 7.192
209 HG12 VAL 30 2HG1 VAL 30 -0.784 -0.734 7.157
210 HG13 VAL 30 3HG1 VAL 30 -1.899 0.321 6.287
211 HG21 VAL 30 3HG2 VAL 30 -2.665 -2.958 6.547
212 HG22 VAL 30 1HG2 VAL 30 -2.938 -3.117 4.812
213 HG23 VAL 30 2HG2 VAL 30 -1.434 -3.700 5.525
214 H HIS 31 H HIS 31 -0.031 -0.260 2.961
215 HA HIS 31 HA HIS 31 0.291 2.364 4.025
216 HB2 HIS 31 1HB HIS 31 2.262 1.143 3.422
217 HB3 HIS 31 2HB HIS 31 1.677 0.895 1.779
218 HD1 HIS 31 HD1 HIS 31 2.595 3.846 4.006
219 HD2 HIS 31 HD2 HIS 31 2.717 2.664 0.025
220 HE1 HIS 31 HE1 HIS 31 3.765 5.709 2.788
221 H GLN 32 H GLN 32 -0.876 1.066 0.956
222 HA GLN 32 HA GLN 32 -1.051 3.442 -0.490
223 HB2 GLN 32 1HB GLN 32 -2.796 0.978 -0.608
224 HB3 GLN 32 2HB GLN 32 -2.831 2.271 -1.799
225 HG2 GLN 32 1HG GLN 32 -0.360 1.824 -2.143
226 HG3 GLN 32 2HG GLN 32 -0.605 0.351 -1.206
227 HE21 GLN 32 1HE2 GLN 32 -0.439 1.541 -4.240
228 HE22 GLN 32 2HE2 GLN 32 -1.370 0.353 -5.080
229 H ARG 33 H ARG 33 -3.142 2.116 1.977
230 HA ARG 33 HA ARG 33 -5.469 3.550 1.578
231 HB2 ARG 33 1HB ARG 33 -4.195 2.903 4.243
232 HB3 ARG 33 2HB ARG 33 -5.891 3.278 3.969
233 HG2 ARG 33 1HG ARG 33 -5.787 1.237 2.349
234 HG3 ARG 33 2HG ARG 33 -4.365 0.808 3.302
235 HD2 ARG 33 1HD ARG 33 -6.070 -0.290 4.420
236 HD3 ARG 33 2HD ARG 33 -5.912 1.206 5.338
237 HE ARG 33 HE ARG 33 -7.816 1.817 3.531
238 HH11 ARG 33 1HH1 ARG 33 -7.416 -0.844 5.740
239 HH12 ARG 33 2HH1 ARG 33 -9.117 -1.094 5.950
240 HH21 ARG 33 1HH2 ARG 33 -10.058 1.497 3.800
241 HH22 ARG 33 2HH2 ARG 33 -10.619 0.237 4.846
242 H THR 34 H THR 34 -2.470 4.571 3.130
243 HA THR 34 HA THR 34 -3.409 7.044 4.117
244 HB THR 34 HB THR 34 -1.107 7.659 4.429
245 HG1 THR 34 HG1 THR 34 0.307 5.702 3.441
246 HG21 THR 34 3HG2 THR 34 -0.212 5.585 5.533
247 HG22 THR 34 1HG2 THR 34 -1.595 4.715 4.871
248 HG23 THR 34 2HG2 THR 34 -1.848 6.033 6.015
249 H HIS 35 H HIS 35 -1.987 6.084 1.037
250 HA HIS 35 HA HIS 35 -1.652 8.693 -0.005
251 HB2 HIS 35 1HB HIS 35 -1.673 5.934 -1.127
252 HB3 HIS 35 2HB HIS 35 -1.872 7.275 -2.252
253 HD1 HIS 35 HD1 HIS 35 0.118 9.150 -2.071
254 HD2 HIS 35 HD2 HIS 35 0.911 5.374 -0.529
255 HE1 HIS 35 HE1 HIS 35 2.622 9.008 -1.896
256 H SER 36 H SER 36 -4.297 6.357 -0.163
257 HA SER 36 HA SER 36 -5.908 7.716 -2.013
258 HB2 SER 36 1HB SER 36 -6.118 5.321 -0.906
259 HB3 SER 36 2HB SER 36 -7.172 6.179 0.218
260 HG SER 36 HG SER 36 -7.547 6.583 -2.522
261 H GLY 37 H GLY 37 -6.252 9.855 -1.717
262 HA2 GLY 37 1HA GLY 37 -7.214 10.756 0.915
263 HA3 GLY 37 2HA GLY 37 -6.534 11.792 -0.331
264 H GLU 38 H GLU 38 -9.323 9.711 0.369
265 HA GLU 38 HA GLU 38 -10.917 11.098 -1.626
266 HB2 GLU 38 1HB GLU 38 -10.995 8.572 -1.113
267 HB3 GLU 38 2HB GLU 38 -11.940 9.026 0.298
268 HG2 GLU 38 1HG GLU 38 -13.362 10.334 -1.480
269 HG3 GLU 38 2HG GLU 38 -12.648 9.160 -2.584
270 H SER 39 H SER 39 -10.707 13.174 -0.484
271 HA SER 39 HA SER 39 -12.589 13.386 1.774
272 HB2 SER 39 1HB SER 39 -10.068 14.884 1.129
273 HB3 SER 39 2HB SER 39 -11.313 15.634 2.128
274 HG SER 39 HG SER 39 -10.875 14.286 3.711
275 H GLY 40 H GLY 40 -14.336 13.506 0.227
276 HA2 GLY 40 1HA GLY 40 -15.934 14.717 -0.894
277 HA3 GLY 40 2HA GLY 40 -15.102 16.165 -0.348
278 HA PRO 41 HA PRO 41 -14.571 15.316 -5.013
279 HB2 PRO 41 1HB PRO 41 -16.373 17.109 -5.968
280 HB3 PRO 41 2HB PRO 41 -16.782 15.423 -5.629
281 HG2 PRO 41 1HG PRO 41 -17.264 17.862 -3.961
282 HG3 PRO 41 2HG PRO 41 -18.350 16.499 -4.289
283 HD2 PRO 41 1HD PRO 41 -16.947 16.722 -1.984
284 HD3 PRO 41 2HD PRO 41 -17.339 15.152 -2.715
285 H SER 42 H SER 42 -14.663 17.978 -2.842
286 HA SER 42 HA SER 42 -12.418 19.221 -4.093
287 HB2 SER 42 1HB SER 42 -13.387 21.301 -4.755
288 HB3 SER 42 2HB SER 42 -14.377 20.037 -5.484
289 HG SER 42 HG SER 42 -15.346 21.939 -4.177
290 H SER 43 H SER 43 -11.649 21.104 -2.873
291 HA SER 43 HA SER 43 -12.694 21.161 -0.119
292 HB2 SER 43 1HB SER 43 -9.866 20.886 -1.090
293 HB3 SER 43 2HB SER 43 -10.195 21.641 0.469
294 HG SER 43 HG SER 43 -9.880 19.427 0.745
295 H GLY 44 H GLY 44 -13.577 23.099 0.182
296 HA2 GLY 44 1HA GLY 44 -12.366 25.464 0.489
297 HA3 GLY 44 2HA GLY 44 -12.579 25.421 -1.255
Start of MODEL 5
1 H1 GLY 1 H GLY 1 31.033 10.669 -4.836
2 HA2 GLY 1 1HA GLY 1 30.919 12.337 -2.550
3 HA3 GLY 1 2HA GLY 1 30.065 13.100 -3.883
4 H SER 2 H SER 2 28.027 12.487 -4.322
5 HA SER 2 HA SER 2 26.631 10.871 -2.469
6 HB2 SER 2 1HB SER 2 25.944 12.282 -5.007
7 HB3 SER 2 2HB SER 2 24.831 11.044 -4.423
8 HG SER 2 HG SER 2 25.729 12.857 -2.532
9 H SER 3 H SER 3 27.350 10.348 -5.922
10 HA SER 3 HA SER 3 27.246 8.451 -7.203
11 HB2 SER 3 1HB SER 3 28.785 7.622 -4.750
12 HB3 SER 3 2HB SER 3 28.549 6.516 -6.103
13 HG SER 3 HG SER 3 29.355 8.594 -7.292
14 H GLY 4 H GLY 4 24.833 8.865 -5.891
15 HA2 GLY 4 1HA GLY 4 23.973 6.473 -4.554
16 HA3 GLY 4 2HA GLY 4 22.949 7.801 -5.079
17 H SER 5 H SER 5 21.363 6.877 -6.218
18 HA SER 5 HA SER 5 20.282 5.484 -7.685
19 HB2 SER 5 1HB SER 5 21.160 5.668 -10.008
20 HB3 SER 5 2HB SER 5 21.058 7.227 -9.191
21 HG SER 5 HG SER 5 23.354 5.665 -9.719
22 H SER 6 H SER 6 21.851 4.004 -5.942
23 HA SER 6 HA SER 6 22.485 1.704 -7.631
24 HB2 SER 6 1HB SER 6 24.652 2.737 -7.264
25 HB3 SER 6 2HB SER 6 24.352 2.827 -5.529
26 HG SER 6 HG SER 6 25.134 0.685 -7.085
27 H GLY 7 H GLY 7 21.653 -0.129 -6.846
28 HA2 GLY 7 1HA GLY 7 21.542 -1.452 -4.659
29 HA3 GLY 7 2HA GLY 7 20.617 -0.072 -4.086
30 H THR 8 H THR 8 20.560 -2.992 -5.896
31 HA THR 8 HA THR 8 18.190 -2.687 -7.349
32 HB THR 8 HB THR 8 19.706 -4.573 -7.717
33 HG1 THR 8 HG1 THR 8 17.876 -5.312 -8.499
34 HG21 THR 8 3HG2 THR 8 20.505 -5.247 -5.644
35 HG22 THR 8 1HG2 THR 8 19.374 -6.538 -6.047
36 HG23 THR 8 2HG2 THR 8 18.899 -5.270 -4.917
37 H ARG 9 H ARG 9 16.074 -3.585 -6.928
38 HA ARG 9 HA ARG 9 15.174 -2.968 -4.257
39 HB2 ARG 9 1HB ARG 9 13.802 -3.697 -6.828
40 HB3 ARG 9 2HB ARG 9 12.913 -3.670 -5.311
41 HG2 ARG 9 1HG ARG 9 12.509 -1.551 -6.009
42 HG3 ARG 9 2HG ARG 9 14.014 -1.272 -5.129
43 HD2 ARG 9 1HD ARG 9 15.154 -1.741 -7.399
44 HD3 ARG 9 2HD ARG 9 13.557 -1.449 -8.085
45 HE ARG 9 HE ARG 9 14.088 0.688 -6.418
46 HH11 ARG 9 1HH1 ARG 9 15.485 -0.738 -9.270
47 HH12 ARG 9 2HH1 ARG 9 16.119 0.760 -9.867
48 HH21 ARG 9 1HH2 ARG 9 14.917 2.666 -7.194
49 HH22 ARG 9 2HH2 ARG 9 15.796 2.696 -8.685
50 H GLU 10 H GLU 10 14.776 -4.369 -2.668
51 HA GLU 10 HA GLU 10 15.125 -7.215 -3.207
52 HB2 GLU 10 1HB GLU 10 16.369 -6.101 -1.349
53 HB3 GLU 10 2HB GLU 10 14.831 -5.809 -0.549
54 HG2 GLU 10 1HG GLU 10 16.193 -7.813 0.215
55 HG3 GLU 10 2HG GLU 10 14.483 -8.073 -0.123
56 H LYS 11 H LYS 11 12.779 -5.026 -1.690
57 HA LYS 11 HA LYS 11 10.864 -7.068 -1.159
58 HB2 LYS 11 1HB LYS 11 10.948 -4.105 -0.995
59 HB3 LYS 11 2HB LYS 11 9.358 -4.846 -1.116
60 HG2 LYS 11 1HG LYS 11 9.749 -4.624 1.176
61 HG3 LYS 11 2HG LYS 11 10.074 -6.323 0.828
62 HD2 LYS 11 1HD LYS 11 11.818 -5.540 2.253
63 HD3 LYS 11 2HD LYS 11 12.502 -5.723 0.636
64 HE2 LYS 11 1HE LYS 11 12.653 -3.445 0.299
65 HE3 LYS 11 2HE LYS 11 11.386 -3.083 1.470
66 HZ1 LYS 11 3HZ LYS 11 14.005 -4.196 2.281
67 HZ2 LYS 11 1HZ LYS 11 12.844 -3.439 3.250
68 HZ3 LYS 11 2HZ LYS 11 13.742 -2.531 2.140
69 HA PRO 12 HA PRO 12 9.234 -7.472 -5.258
70 HB2 PRO 12 1HB PRO 12 7.047 -8.940 -4.601
71 HB3 PRO 12 2HB PRO 12 8.679 -9.617 -4.651
72 HG2 PRO 12 1HG PRO 12 7.089 -8.678 -2.295
73 HG3 PRO 12 2HG PRO 12 8.094 -10.130 -2.459
74 HD2 PRO 12 1HD PRO 12 8.956 -7.898 -1.191
75 HD3 PRO 12 2HD PRO 12 10.051 -8.970 -2.087
76 H TYR 13 H TYR 13 6.895 -6.796 -2.646
77 HA TYR 13 HA TYR 13 5.088 -5.452 -4.419
78 HB2 TYR 13 1HB TYR 13 5.146 -5.516 -1.395
79 HB3 TYR 13 2HB TYR 13 3.806 -4.949 -2.385
80 HD1 TYR 13 HD2 TYR 13 2.599 -6.598 -3.856
81 HD2 TYR 13 HD1 TYR 13 5.417 -7.812 -0.908
82 HE1 TYR 13 HE2 TYR 13 1.679 -8.878 -3.924
83 HE2 TYR 13 HE1 TYR 13 4.506 -10.096 -0.969
84 HH TYR 13 HH TYR 13 2.689 -11.336 -1.647
85 H GLU 14 H GLU 14 5.112 -3.390 -5.019
86 HA GLU 14 HA GLU 14 6.603 -1.457 -3.377
87 HB2 GLU 14 1HB GLU 14 6.906 -2.110 -6.251
88 HB3 GLU 14 2HB GLU 14 6.935 -0.403 -5.835
89 HG2 GLU 14 1HG GLU 14 8.908 -0.557 -4.726
90 HG3 GLU 14 2HG GLU 14 8.625 -2.223 -4.225
91 H CYS 15 H CYS 15 5.761 0.607 -3.250
92 HA CYS 15 HA CYS 15 2.948 0.837 -3.705
93 HB2 CYS 15 1HB CYS 15 4.203 1.855 -1.767
94 HB3 CYS 15 2HB CYS 15 4.858 3.035 -2.898
95 H SER 16 H SER 16 1.990 1.451 -5.517
96 HA SER 16 HA SER 16 3.481 2.458 -7.740
97 HB2 SER 16 1HB SER 16 1.492 0.943 -7.942
98 HB3 SER 16 2HB SER 16 0.473 2.294 -7.443
99 HG SER 16 HG SER 16 0.459 2.746 -9.494
100 H GLU 17 H GLU 17 2.515 3.971 -5.030
101 HA GLU 17 HA GLU 17 1.647 6.449 -6.307
102 HB2 GLU 17 1HB GLU 17 1.951 5.789 -3.372
103 HB3 GLU 17 2HB GLU 17 1.226 7.248 -4.032
104 HG2 GLU 17 1HG GLU 17 0.155 4.508 -4.621
105 HG3 GLU 17 2HG GLU 17 -0.356 5.452 -3.223
106 H CYS 18 H CYS 18 4.116 5.434 -3.941
107 HA CYS 18 HA CYS 18 5.754 7.725 -4.803
108 HB2 CYS 18 1HB CYS 18 6.896 7.510 -2.611
109 HB3 CYS 18 2HB CYS 18 5.176 7.853 -2.451
110 H GLY 19 H GLY 19 5.837 4.286 -3.972
111 HA2 GLY 19 1HA GLY 19 7.174 2.942 -5.611
112 HA3 GLY 19 2HA GLY 19 8.454 4.115 -5.336
113 H LYS 20 H LYS 20 6.772 3.554 -2.497
114 HA LYS 20 HA LYS 20 8.878 2.561 -1.049
115 HB2 LYS 20 1HB LYS 20 6.488 3.374 -0.327
116 HB3 LYS 20 2HB LYS 20 6.105 1.658 -0.370
117 HG2 LYS 20 1HG LYS 20 7.446 1.170 1.419
118 HG3 LYS 20 2HG LYS 20 8.515 2.545 1.132
119 HD2 LYS 20 1HD LYS 20 6.546 4.017 1.780
120 HD3 LYS 20 2HD LYS 20 5.769 2.542 2.362
121 HE2 LYS 20 1HE LYS 20 6.779 3.224 4.291
122 HE3 LYS 20 2HE LYS 20 8.080 2.247 3.611
123 HZ1 LYS 20 3HZ LYS 20 8.645 4.567 4.470
124 HZ2 LYS 20 1HZ LYS 20 7.903 5.143 3.063
125 HZ3 LYS 20 2HZ LYS 20 9.250 4.126 2.953
126 H ALA 21 H ALA 21 8.624 0.320 0.201
127 HA ALA 21 HA ALA 21 8.072 -1.825 -1.719
128 HB1 ALA 21 3HB ALA 21 10.643 -0.946 -1.248
129 HB2 ALA 21 1HB ALA 21 10.486 -2.348 -0.189
130 HB3 ALA 21 2HB ALA 21 10.183 -2.511 -1.919
131 H PHE 22 H PHE 22 7.749 -3.898 -0.761
132 HA PHE 22 HA PHE 22 7.622 -4.062 2.136
133 HB2 PHE 22 1HB PHE 22 5.153 -4.525 0.452
134 HB3 PHE 22 2HB PHE 22 5.277 -4.706 2.198
135 HD1 PHE 22 HD1 PHE 22 5.349 -2.261 -0.565
136 HD2 PHE 22 HD2 PHE 22 5.047 -2.854 3.639
137 HE1 PHE 22 HE1 PHE 22 4.702 0.097 -0.282
138 HE2 PHE 22 HE2 PHE 22 4.399 -0.499 3.929
139 HZ PHE 22 HZ PHE 22 4.225 0.980 1.967
140 H ILE 23 H ILE 23 6.726 -6.324 2.759
141 HA ILE 23 HA ILE 23 8.117 -8.261 1.058
142 HB ILE 23 HB ILE 23 7.126 -8.599 3.891
143 HG12 ILE 23 1HG1 ILE 23 8.940 -6.889 3.603
144 HG13 ILE 23 2HG1 ILE 23 9.398 -8.262 4.605
145 HG21 ILE 23 1HG2 ILE 23 8.841 -10.325 2.118
146 HG22 ILE 23 2HG2 ILE 23 8.693 -10.553 3.860
147 HG23 ILE 23 3HG2 ILE 23 7.275 -10.724 2.825
148 HD11 ILE 23 3HD1 ILE 23 10.964 -7.294 2.701
149 HD12 ILE 23 1HD1 ILE 23 10.931 -9.007 3.118
150 HD13 ILE 23 2HD1 ILE 23 10.028 -8.421 1.720
151 H ARG 24 H ARG 24 5.013 -7.716 2.664
152 HA ARG 24 HA ARG 24 3.852 -9.816 0.953
153 HB2 ARG 24 1HB ARG 24 2.829 -8.983 3.670
154 HB3 ARG 24 2HB ARG 24 2.258 -10.324 2.686
155 HG2 ARG 24 1HG ARG 24 4.365 -11.479 2.984
156 HG3 ARG 24 2HG ARG 24 5.006 -10.113 3.899
157 HD2 ARG 24 1HD ARG 24 4.288 -11.857 5.415
158 HD3 ARG 24 2HD ARG 24 3.245 -10.445 5.585
159 HE ARG 24 HE ARG 24 1.852 -11.911 3.851
160 HH11 ARG 24 1HH1 ARG 24 3.438 -12.794 6.822
161 HH12 ARG 24 2HH1 ARG 24 2.322 -14.067 7.191
162 HH21 ARG 24 1HH2 ARG 24 0.377 -13.584 4.326
163 HH22 ARG 24 2HH2 ARG 24 0.582 -14.516 5.771
164 H ASN 25 H ASN 25 2.219 -9.233 -0.341
165 HA ASN 25 HA ASN 25 1.602 -6.745 -1.118
166 HB2 ASN 25 1HB ASN 25 0.650 -9.088 -1.867
167 HB3 ASN 25 2HB ASN 25 -0.713 -8.621 -0.854
168 HD21 ASN 25 1HD2 ASN 25 -0.818 -5.921 -1.301
169 HD22 ASN 25 2HD2 ASN 25 -1.230 -5.624 -2.953
170 H SER 26 H SER 26 -0.232 -8.468 1.407
171 HA SER 26 HA SER 26 -2.091 -6.649 2.126
172 HB2 SER 26 1HB SER 26 -1.999 -8.709 3.321
173 HB3 SER 26 2HB SER 26 -0.372 -8.373 3.914
174 HG SER 26 HG SER 26 -2.830 -7.298 4.738
175 H GLN 27 H GLN 27 1.313 -6.574 3.117
176 HA GLN 27 HA GLN 27 1.180 -4.347 4.799
177 HB2 GLN 27 1HB GLN 27 3.520 -5.107 3.047
178 HB3 GLN 27 2HB GLN 27 3.572 -4.185 4.543
179 HG2 GLN 27 1HG GLN 27 2.441 -6.397 5.484
180 HG3 GLN 27 2HG GLN 27 3.300 -7.098 4.113
181 HE21 GLN 27 1HE2 GLN 27 5.529 -5.415 4.099
182 HE22 GLN 27 2HE2 GLN 27 6.470 -5.740 5.511
183 H LEU 28 H LEU 28 1.712 -4.564 1.307
184 HA LEU 28 HA LEU 28 2.209 -1.817 0.883
185 HB2 LEU 28 1HB LEU 28 2.873 -3.287 -0.821
186 HB3 LEU 28 2HB LEU 28 1.287 -4.054 -0.891
187 HG LEU 28 HG LEU 28 0.364 -2.013 -1.908
188 HD11 LEU 28 1HD1 LEU 28 3.162 -0.997 -2.232
189 HD12 LEU 28 2HD1 LEU 28 2.191 -0.559 -0.827
190 HD13 LEU 28 3HD1 LEU 28 1.634 -0.144 -2.448
191 HD21 LEU 28 3HD2 LEU 28 1.062 -3.741 -3.399
192 HD22 LEU 28 1HD2 LEU 28 2.752 -3.252 -3.266
193 HD23 LEU 28 2HD2 LEU 28 1.592 -2.202 -4.080
194 H ILE 29 H ILE 29 -0.753 -3.749 0.458
195 HA ILE 29 HA ILE 29 -2.480 -1.797 -0.407
196 HB ILE 29 HB ILE 29 -3.100 -4.032 1.528
197 HG12 ILE 29 1HG1 ILE 29 -3.560 -3.963 -1.453
198 HG13 ILE 29 2HG1 ILE 29 -2.082 -4.600 -0.742
199 HG21 ILE 29 1HG2 ILE 29 -5.376 -3.731 1.093
200 HG22 ILE 29 2HG2 ILE 29 -4.763 -2.096 1.333
201 HG23 ILE 29 3HG2 ILE 29 -5.066 -2.692 -0.298
202 HD11 ILE 29 3HD1 ILE 29 -3.544 -6.420 -1.212
203 HD12 ILE 29 1HD1 ILE 29 -3.475 -6.211 0.538
204 HD13 ILE 29 2HD1 ILE 29 -4.877 -5.636 -0.365
205 H VAL 30 H VAL 30 -1.881 -2.699 2.992
206 HA VAL 30 HA VAL 30 -3.503 -0.835 4.224
207 HB VAL 30 HB VAL 30 -0.831 -1.891 5.153
208 HG11 VAL 30 1HG1 VAL 30 -2.278 0.251 6.210
209 HG12 VAL 30 2HG1 VAL 30 -2.637 -1.121 7.260
210 HG13 VAL 30 3HG1 VAL 30 -0.964 -0.635 6.983
211 HG21 VAL 30 3HG2 VAL 30 -3.672 -2.792 5.537
212 HG22 VAL 30 1HG2 VAL 30 -2.304 -3.705 4.901
213 HG23 VAL 30 2HG2 VAL 30 -2.372 -3.298 6.615
214 H HIS 31 H HIS 31 -0.228 -0.439 2.973
215 HA HIS 31 HA HIS 31 0.198 2.162 4.012
216 HB2 HIS 31 1HB HIS 31 2.108 0.892 3.344
217 HB3 HIS 31 2HB HIS 31 1.465 0.658 1.722
218 HD1 HIS 31 HD1 HIS 31 2.480 3.621 3.894
219 HD2 HIS 31 HD2 HIS 31 2.576 2.348 -0.060
220 HE1 HIS 31 HE1 HIS 31 3.690 5.430 2.634
221 H GLN 32 H GLN 32 -0.985 0.976 0.890
222 HA GLN 32 HA GLN 32 -1.144 3.379 -0.481
223 HB2 GLN 32 1HB GLN 32 -2.981 0.985 -0.627
224 HB3 GLN 32 2HB GLN 32 -2.964 2.296 -1.798
225 HG2 GLN 32 1HG GLN 32 -0.473 1.728 -2.079
226 HG3 GLN 32 2HG GLN 32 -0.883 0.213 -1.275
227 HE21 GLN 32 1HE2 GLN 32 -0.360 1.473 -4.180
228 HE22 GLN 32 2HE2 GLN 32 -1.406 0.501 -5.151
229 H ARG 33 H ARG 33 -2.974 2.292 2.203
230 HA ARG 33 HA ARG 33 -5.361 3.732 1.812
231 HB2 ARG 33 1HB ARG 33 -4.000 2.922 4.387
232 HB3 ARG 33 2HB ARG 33 -5.657 3.497 4.259
233 HG2 ARG 33 1HG ARG 33 -6.041 1.547 2.670
234 HG3 ARG 33 2HG ARG 33 -4.491 0.929 3.243
235 HD2 ARG 33 1HD ARG 33 -6.265 -0.078 4.523
236 HD3 ARG 33 2HD ARG 33 -5.357 1.022 5.558
237 HE ARG 33 HE ARG 33 -7.376 2.573 4.684
238 HH11 ARG 33 1HH1 ARG 33 -7.287 -0.604 6.107
239 HH12 ARG 33 2HH1 ARG 33 -8.840 -0.453 6.860
240 HH21 ARG 33 1HH2 ARG 33 -9.422 2.784 5.671
241 HH22 ARG 33 2HH2 ARG 33 -10.054 1.474 6.611
242 H THR 34 H THR 34 -2.204 4.679 2.922
243 HA THR 34 HA THR 34 -3.000 7.146 4.119
244 HB THR 34 HB THR 34 -0.859 5.957 4.648
245 HG1 THR 34 HG1 THR 34 0.383 8.000 4.591
246 HG21 THR 34 3HG2 THR 34 0.579 7.218 2.434
247 HG22 THR 34 1HG2 THR 34 -0.493 5.912 1.931
248 HG23 THR 34 2HG2 THR 34 0.762 5.609 3.132
249 H HIS 35 H HIS 35 -2.073 6.137 0.900
250 HA HIS 35 HA HIS 35 -1.725 8.792 -0.122
251 HB2 HIS 35 1HB HIS 35 -1.807 6.046 -1.301
252 HB3 HIS 35 2HB HIS 35 -2.002 7.433 -2.368
253 HD1 HIS 35 HD1 HIS 35 0.040 9.228 -2.231
254 HD2 HIS 35 HD2 HIS 35 0.776 5.424 -0.732
255 HE1 HIS 35 HE1 HIS 35 2.544 9.024 -2.114
256 H SER 36 H SER 36 -4.322 6.398 -0.137
257 HA SER 36 HA SER 36 -6.066 7.797 -1.858
258 HB2 SER 36 1HB SER 36 -6.386 5.426 -1.383
259 HB3 SER 36 2HB SER 36 -6.684 5.783 0.318
260 HG SER 36 HG SER 36 -8.573 5.488 -1.145
261 H GLY 37 H GLY 37 -5.700 7.781 1.665
262 HA2 GLY 37 1HA GLY 37 -7.827 9.126 2.602
263 HA3 GLY 37 2HA GLY 37 -6.199 9.487 3.156
264 H GLU 38 H GLU 38 -5.156 10.644 0.833
265 HA GLU 38 HA GLU 38 -6.900 12.968 0.387
266 HB2 GLU 38 1HB GLU 38 -4.113 12.914 1.456
267 HB3 GLU 38 2HB GLU 38 -4.580 14.242 0.403
268 HG2 GLU 38 1HG GLU 38 -6.625 14.408 2.026
269 HG3 GLU 38 2HG GLU 38 -5.549 13.553 3.130
270 H SER 39 H SER 39 -6.986 13.671 -1.666
271 HA SER 39 HA SER 39 -5.600 12.144 -3.686
272 HB2 SER 39 1HB SER 39 -7.519 14.466 -3.992
273 HB3 SER 39 2HB SER 39 -6.980 13.390 -5.281
274 HG SER 39 HG SER 39 -8.961 13.040 -3.483
275 H GLY 40 H GLY 40 -3.767 13.544 -2.175
276 HA2 GLY 40 1HA GLY 40 -3.010 16.071 -2.967
277 HA3 GLY 40 2HA GLY 40 -1.877 14.814 -2.494
278 HA PRO 41 HA PRO 41 -1.267 16.032 -6.993
279 HB2 PRO 41 1HB PRO 41 1.298 16.881 -6.727
280 HB3 PRO 41 2HB PRO 41 -0.094 17.949 -6.513
281 HG2 PRO 41 1HG PRO 41 1.570 16.569 -4.442
282 HG3 PRO 41 2HG PRO 41 0.952 18.231 -4.456
283 HD2 PRO 41 1HD PRO 41 -0.227 16.251 -3.035
284 HD3 PRO 41 2HD PRO 41 -1.146 17.591 -3.749
285 H SER 42 H SER 42 1.201 14.696 -4.787
286 HA SER 42 HA SER 42 2.825 13.103 -5.212
287 HB2 SER 42 1HB SER 42 0.838 11.898 -4.321
288 HB3 SER 42 2HB SER 42 0.317 11.588 -5.977
289 HG SER 42 HG SER 42 1.810 10.099 -6.179
290 H SER 43 H SER 43 2.750 14.783 -7.397
291 HA SER 43 HA SER 43 2.747 13.020 -9.741
292 HB2 SER 43 1HB SER 43 1.545 15.307 -9.684
293 HB3 SER 43 2HB SER 43 3.160 16.002 -9.818
294 HG SER 43 HG SER 43 1.838 15.453 -11.822
295 H GLY 44 H GLY 44 4.531 13.227 -11.292
296 HA2 GLY 44 1HA GLY 44 7.087 13.609 -9.869
297 HA3 GLY 44 2HA GLY 44 6.841 12.491 -11.202
Start of MODEL 6
1 H1 GLY 1 H GLY 1 24.806 11.916 -2.976
2 HA2 GLY 1 1HA GLY 1 23.502 11.381 -0.825
3 HA3 GLY 1 2HA GLY 1 22.871 10.045 -1.778
4 H SER 2 H SER 2 23.770 8.215 -1.121
5 HA SER 2 HA SER 2 26.692 8.136 -0.809
6 HB2 SER 2 1HB SER 2 26.525 6.766 1.165
7 HB3 SER 2 2HB SER 2 25.545 8.208 1.426
8 HG SER 2 HG SER 2 24.544 6.151 2.006
9 H SER 3 H SER 3 27.531 5.857 -0.851
10 HA SER 3 HA SER 3 27.070 4.588 -3.193
11 HB2 SER 3 1HB SER 3 28.101 2.597 -2.253
12 HB3 SER 3 2HB SER 3 28.901 4.028 -1.602
13 HG SER 3 HG SER 3 27.588 3.784 0.274
14 H GLY 4 H GLY 4 25.889 2.758 -3.896
15 HA2 GLY 4 1HA GLY 4 23.282 2.531 -2.581
16 HA3 GLY 4 2HA GLY 4 23.661 2.029 -4.222
17 H SER 5 H SER 5 25.247 1.246 -1.140
18 HA SER 5 HA SER 5 24.623 -1.589 -1.654
19 HB2 SER 5 1HB SER 5 26.804 -2.172 -0.672
20 HB3 SER 5 2HB SER 5 26.999 -1.133 -2.084
21 HG SER 5 HG SER 5 27.930 -0.725 0.338
22 H SER 6 H SER 6 22.932 -0.022 -0.145
23 HA SER 6 HA SER 6 23.583 -0.550 2.655
24 HB2 SER 6 1HB SER 6 21.341 1.017 1.364
25 HB3 SER 6 2HB SER 6 21.491 0.770 3.104
26 HG SER 6 HG SER 6 22.686 2.497 3.005
27 H GLY 7 H GLY 7 23.391 -2.866 2.441
28 HA2 GLY 7 1HA GLY 7 22.261 -4.844 2.720
29 HA3 GLY 7 2HA GLY 7 20.926 -3.868 3.316
30 H THR 8 H THR 8 20.871 -6.290 1.677
31 HA THR 8 HA THR 8 20.115 -5.480 -0.980
32 HB THR 8 HB THR 8 19.389 -7.866 -1.228
33 HG1 THR 8 HG1 THR 8 19.542 -7.780 1.447
34 HG21 THR 8 3HG2 THR 8 22.076 -6.880 -0.685
35 HG22 THR 8 1HG2 THR 8 21.498 -7.925 -1.982
36 HG23 THR 8 2HG2 THR 8 21.917 -8.615 -0.414
37 H ARG 9 H ARG 9 18.315 -4.280 -1.148
38 HA ARG 9 HA ARG 9 15.879 -5.285 0.172
39 HB2 ARG 9 1HB ARG 9 16.740 -2.444 -0.370
40 HB3 ARG 9 2HB ARG 9 15.090 -2.878 0.054
41 HG2 ARG 9 1HG ARG 9 15.780 -3.690 2.193
42 HG3 ARG 9 2HG ARG 9 17.482 -3.505 1.766
43 HD2 ARG 9 1HD ARG 9 16.721 -1.683 3.205
44 HD3 ARG 9 2HD ARG 9 17.193 -1.090 1.613
45 HE ARG 9 HE ARG 9 14.407 -1.633 1.725
46 HH11 ARG 9 1HH1 ARG 9 16.823 0.679 2.694
47 HH12 ARG 9 2HH1 ARG 9 15.720 2.015 2.721
48 HH21 ARG 9 1HH2 ARG 9 12.946 0.118 1.757
49 HH22 ARG 9 2HH2 ARG 9 13.515 1.695 2.189
50 H GLU 10 H GLU 10 15.385 -6.568 -1.658
51 HA GLU 10 HA GLU 10 14.535 -5.018 -4.017
52 HB2 GLU 10 1HB GLU 10 16.429 -6.863 -4.140
53 HB3 GLU 10 2HB GLU 10 15.050 -7.953 -4.199
54 HG2 GLU 10 1HG GLU 10 14.201 -6.479 -6.107
55 HG3 GLU 10 2HG GLU 10 15.836 -5.821 -6.149
56 H LYS 11 H LYS 11 12.847 -5.206 -1.851
57 HA LYS 11 HA LYS 11 11.102 -7.326 -1.675
58 HB2 LYS 11 1HB LYS 11 10.881 -4.403 -1.201
59 HB3 LYS 11 2HB LYS 11 9.375 -5.307 -1.301
60 HG2 LYS 11 1HG LYS 11 9.822 -6.526 0.599
61 HG3 LYS 11 2HG LYS 11 11.566 -6.291 0.467
62 HD2 LYS 11 1HD LYS 11 9.698 -4.002 1.006
63 HD3 LYS 11 2HD LYS 11 10.328 -5.012 2.309
64 HE2 LYS 11 1HE LYS 11 12.588 -4.432 1.737
65 HE3 LYS 11 2HE LYS 11 12.049 -3.571 0.296
66 HZ1 LYS 11 3HZ LYS 11 12.380 -1.887 1.816
67 HZ2 LYS 11 1HZ LYS 11 11.793 -2.786 3.124
68 HZ3 LYS 11 2HZ LYS 11 10.719 -2.167 1.974
69 HA PRO 12 HA PRO 12 9.077 -7.553 -5.584
70 HB2 PRO 12 1HB PRO 12 6.882 -8.955 -4.819
71 HB3 PRO 12 2HB PRO 12 8.483 -9.688 -4.977
72 HG2 PRO 12 1HG PRO 12 7.070 -8.734 -2.515
73 HG3 PRO 12 2HG PRO 12 8.011 -10.217 -2.762
74 HD2 PRO 12 1HD PRO 12 9.026 -8.038 -1.515
75 HD3 PRO 12 2HD PRO 12 10.027 -9.133 -2.490
76 H TYR 13 H TYR 13 6.993 -6.767 -2.799
77 HA TYR 13 HA TYR 13 5.091 -5.371 -4.436
78 HB2 TYR 13 1HB TYR 13 5.401 -5.495 -1.429
79 HB3 TYR 13 2HB TYR 13 4.035 -4.773 -2.273
80 HD1 TYR 13 HD2 TYR 13 2.578 -6.260 -3.707
81 HD2 TYR 13 HD1 TYR 13 5.480 -7.813 -1.011
82 HE1 TYR 13 HE2 TYR 13 1.450 -8.445 -3.761
83 HE2 TYR 13 HE1 TYR 13 4.362 -10.003 -1.059
84 HH TYR 13 HH TYR 13 1.690 -10.692 -1.643
85 H GLU 14 H GLU 14 4.891 -3.222 -4.790
86 HA GLU 14 HA GLU 14 6.603 -1.359 -3.333
87 HB2 GLU 14 1HB GLU 14 6.864 -2.061 -6.198
88 HB3 GLU 14 2HB GLU 14 6.934 -0.347 -5.811
89 HG2 GLU 14 1HG GLU 14 8.914 -0.527 -4.719
90 HG3 GLU 14 2HG GLU 14 8.598 -2.177 -4.185
91 H CYS 15 H CYS 15 5.770 0.682 -3.143
92 HA CYS 15 HA CYS 15 2.972 0.984 -3.656
93 HB2 CYS 15 1HB CYS 15 4.192 1.918 -1.658
94 HB3 CYS 15 2HB CYS 15 4.912 3.111 -2.735
95 H SER 16 H SER 16 2.032 1.764 -5.416
96 HA SER 16 HA SER 16 3.612 2.784 -7.589
97 HB2 SER 16 1HB SER 16 1.681 1.319 -8.007
98 HB3 SER 16 2HB SER 16 0.607 2.532 -7.312
99 HG SER 16 HG SER 16 1.414 3.962 -8.999
100 H GLU 17 H GLU 17 2.751 4.234 -4.865
101 HA GLU 17 HA GLU 17 1.921 6.769 -6.084
102 HB2 GLU 17 1HB GLU 17 2.066 6.032 -3.156
103 HB3 GLU 17 2HB GLU 17 1.356 7.491 -3.833
104 HG2 GLU 17 1HG GLU 17 0.335 4.793 -4.616
105 HG3 GLU 17 2HG GLU 17 -0.187 5.561 -3.118
106 H CYS 18 H CYS 18 4.282 5.528 -3.723
107 HA CYS 18 HA CYS 18 5.991 7.846 -4.346
108 HB2 CYS 18 1HB CYS 18 7.044 7.454 -2.135
109 HB3 CYS 18 2HB CYS 18 5.327 7.823 -2.012
110 H GLY 19 H GLY 19 5.944 4.355 -3.803
111 HA2 GLY 19 1HA GLY 19 7.302 3.063 -5.430
112 HA3 GLY 19 2HA GLY 19 8.591 4.214 -5.112
113 H LYS 20 H LYS 20 6.872 3.531 -2.309
114 HA LYS 20 HA LYS 20 8.982 2.475 -0.894
115 HB2 LYS 20 1HB LYS 20 6.568 3.278 -0.170
116 HB3 LYS 20 2HB LYS 20 6.223 1.554 -0.214
117 HG2 LYS 20 1HG LYS 20 7.536 1.101 1.586
118 HG3 LYS 20 2HG LYS 20 8.641 2.438 1.258
119 HD2 LYS 20 1HD LYS 20 7.018 4.032 2.069
120 HD3 LYS 20 2HD LYS 20 5.818 2.755 2.277
121 HE2 LYS 20 1HE LYS 20 8.463 2.848 3.720
122 HE3 LYS 20 2HE LYS 20 6.953 3.467 4.386
123 HZ1 LYS 20 3HZ LYS 20 7.073 0.696 3.412
124 HZ2 LYS 20 1HZ LYS 20 6.085 1.370 4.609
125 HZ3 LYS 20 2HZ LYS 20 7.718 1.068 4.931
126 H ALA 21 H ALA 21 8.580 0.178 0.301
127 HA ALA 21 HA ALA 21 8.062 -1.874 -1.723
128 HB1 ALA 21 3HB ALA 21 10.407 -2.522 -0.138
129 HB2 ALA 21 1HB ALA 21 10.162 -2.602 -1.883
130 HB3 ALA 21 2HB ALA 21 10.637 -1.080 -1.127
131 H PHE 22 H PHE 22 7.800 -4.026 -0.820
132 HA PHE 22 HA PHE 22 7.547 -4.301 2.042
133 HB2 PHE 22 1HB PHE 22 5.081 -4.574 0.313
134 HB3 PHE 22 2HB PHE 22 5.177 -4.846 2.049
135 HD1 PHE 22 HD1 PHE 22 5.407 -2.267 -0.585
136 HD2 PHE 22 HD2 PHE 22 4.983 -3.065 3.575
137 HE1 PHE 22 HE1 PHE 22 4.856 0.098 -0.191
138 HE2 PHE 22 HE2 PHE 22 4.430 -0.701 3.975
139 HZ PHE 22 HZ PHE 22 4.365 0.884 2.091
140 H ILE 23 H ILE 23 6.783 -6.532 2.628
141 HA ILE 23 HA ILE 23 7.965 -8.440 0.750
142 HB ILE 23 HB ILE 23 7.178 -8.901 3.628
143 HG12 ILE 23 1HG1 ILE 23 9.995 -8.521 2.655
144 HG13 ILE 23 2HG1 ILE 23 9.007 -7.131 3.093
145 HG21 ILE 23 1HG2 ILE 23 7.382 -11.022 2.854
146 HG22 ILE 23 2HG2 ILE 23 8.427 -10.550 1.515
147 HG23 ILE 23 3HG2 ILE 23 9.091 -10.699 3.141
148 HD11 ILE 23 3HD1 ILE 23 10.357 -7.744 4.963
149 HD12 ILE 23 1HD1 ILE 23 8.679 -8.144 5.330
150 HD13 ILE 23 2HD1 ILE 23 9.809 -9.418 4.871
151 H ARG 24 H ARG 24 4.964 -7.688 2.387
152 HA ARG 24 HA ARG 24 3.653 -9.819 0.834
153 HB2 ARG 24 1HB ARG 24 2.899 -8.894 3.612
154 HB3 ARG 24 2HB ARG 24 2.054 -10.114 2.669
155 HG2 ARG 24 1HG ARG 24 4.932 -10.366 3.502
156 HG3 ARG 24 2HG ARG 24 3.580 -10.994 4.446
157 HD2 ARG 24 1HD ARG 24 3.744 -11.723 1.569
158 HD3 ARG 24 2HD ARG 24 4.872 -12.491 2.686
159 HE ARG 24 HE ARG 24 2.028 -12.931 2.506
160 HH11 ARG 24 1HH1 ARG 24 4.873 -13.201 4.493
161 HH12 ARG 24 2HH1 ARG 24 4.217 -14.455 5.491
162 HH21 ARG 24 1HH2 ARG 24 1.152 -14.583 3.813
163 HH22 ARG 24 2HH2 ARG 24 2.100 -15.241 5.103
164 H ASN 25 H ASN 25 1.888 -9.247 -0.314
165 HA ASN 25 HA ASN 25 1.378 -6.700 -1.117
166 HB2 ASN 25 1HB ASN 25 0.374 -9.013 -1.882
167 HB3 ASN 25 2HB ASN 25 -0.961 -8.546 -0.832
168 HD21 ASN 25 1HD2 ASN 25 -0.806 -5.756 -1.286
169 HD22 ASN 25 2HD2 ASN 25 -1.342 -5.458 -2.901
170 H SER 26 H SER 26 -0.570 -8.417 1.333
171 HA SER 26 HA SER 26 -2.305 -6.497 2.107
172 HB2 SER 26 1HB SER 26 -2.238 -8.728 3.127
173 HB3 SER 26 2HB SER 26 -0.755 -8.303 3.981
174 HG SER 26 HG SER 26 -3.307 -7.807 4.668
175 H GLN 27 H GLN 27 1.111 -6.652 2.947
176 HA GLN 27 HA GLN 27 1.112 -4.550 4.830
177 HB2 GLN 27 1HB GLN 27 3.387 -5.431 3.048
178 HB3 GLN 27 2HB GLN 27 3.524 -4.526 4.549
179 HG2 GLN 27 1HG GLN 27 2.174 -7.169 4.622
180 HG3 GLN 27 2HG GLN 27 3.927 -7.126 4.449
181 HE21 GLN 27 1HE2 GLN 27 4.615 -7.760 6.392
182 HE22 GLN 27 2HE2 GLN 27 4.213 -6.993 7.887
183 H LEU 28 H LEU 28 1.800 -4.607 1.347
184 HA LEU 28 HA LEU 28 2.445 -1.889 1.078
185 HB2 LEU 28 1HB LEU 28 3.043 -3.263 -0.707
186 HB3 LEU 28 2HB LEU 28 1.437 -3.980 -0.814
187 HG LEU 28 HG LEU 28 0.573 -1.879 -1.746
188 HD11 LEU 28 1HD1 LEU 28 2.934 -0.799 -0.695
189 HD12 LEU 28 2HD1 LEU 28 1.685 0.034 -1.620
190 HD13 LEU 28 3HD1 LEU 28 3.076 -0.666 -2.448
191 HD21 LEU 28 3HD2 LEU 28 2.348 -1.982 -3.798
192 HD22 LEU 28 1HD2 LEU 28 1.023 -3.122 -3.562
193 HD23 LEU 28 2HD2 LEU 28 2.647 -3.531 -3.008
194 H ILE 29 H ILE 29 -0.630 -3.558 0.385
195 HA ILE 29 HA ILE 29 -2.206 -1.477 -0.374
196 HB ILE 29 HB ILE 29 -3.025 -3.690 1.512
197 HG12 ILE 29 1HG1 ILE 29 -3.462 -3.600 -1.464
198 HG13 ILE 29 2HG1 ILE 29 -1.977 -4.252 -0.781
199 HG21 ILE 29 1HG2 ILE 29 -5.291 -3.280 0.751
200 HG22 ILE 29 2HG2 ILE 29 -4.616 -1.819 1.470
201 HG23 ILE 29 3HG2 ILE 29 -4.728 -1.967 -0.283
202 HD11 ILE 29 3HD1 ILE 29 -4.768 -5.295 -0.564
203 HD12 ILE 29 1HD1 ILE 29 -3.304 -6.121 -1.094
204 HD13 ILE 29 2HD1 ILE 29 -3.536 -5.747 0.614
205 H VAL 30 H VAL 30 -1.629 -2.470 2.999
206 HA VAL 30 HA VAL 30 -3.159 -0.575 4.295
207 HB VAL 30 HB VAL 30 -0.483 -1.670 5.174
208 HG11 VAL 30 1HG1 VAL 30 -1.772 0.445 6.288
209 HG12 VAL 30 2HG1 VAL 30 -2.467 -0.900 7.195
210 HG13 VAL 30 3HG1 VAL 30 -0.719 -0.663 7.168
211 HG21 VAL 30 3HG2 VAL 30 -2.621 -2.830 6.591
212 HG22 VAL 30 1HG2 VAL 30 -3.061 -2.879 4.883
213 HG23 VAL 30 2HG2 VAL 30 -1.547 -3.604 5.426
214 H HIS 31 H HIS 31 0.105 -0.262 2.988
215 HA HIS 31 HA HIS 31 0.528 2.369 4.028
216 HB2 HIS 31 1HB HIS 31 2.457 1.017 3.564
217 HB3 HIS 31 2HB HIS 31 1.952 0.771 1.895
218 HD1 HIS 31 HD1 HIS 31 3.345 3.430 4.176
219 HD2 HIS 31 HD2 HIS 31 2.750 2.725 0.125
220 HE1 HIS 31 HE1 HIS 31 4.575 5.272 2.985
221 H GLN 32 H GLN 32 -1.101 1.079 1.302
222 HA GLN 32 HA GLN 32 -0.945 3.498 -0.273
223 HB2 GLN 32 1HB GLN 32 -2.506 0.937 -0.620
224 HB3 GLN 32 2HB GLN 32 -2.590 2.285 -1.747
225 HG2 GLN 32 1HG GLN 32 -0.066 2.059 -1.956
226 HG3 GLN 32 2HG GLN 32 -0.253 0.510 -1.134
227 HE21 GLN 32 1HE2 GLN 32 0.167 1.780 -4.044
228 HE22 GLN 32 2HE2 GLN 32 -0.685 0.643 -5.026
229 H ARG 33 H ARG 33 -3.039 2.110 2.103
230 HA ARG 33 HA ARG 33 -5.468 3.313 1.554
231 HB2 ARG 33 1HB ARG 33 -4.172 2.761 4.227
232 HB3 ARG 33 2HB ARG 33 -5.857 3.222 4.026
233 HG2 ARG 33 1HG ARG 33 -6.054 1.186 2.502
234 HG3 ARG 33 2HG ARG 33 -4.497 0.693 3.171
235 HD2 ARG 33 1HD ARG 33 -6.233 -0.372 4.433
236 HD3 ARG 33 2HD ARG 33 -5.488 0.865 5.444
237 HE ARG 33 HE ARG 33 -7.564 2.191 4.399
238 HH11 ARG 33 1HH1 ARG 33 -7.339 -0.944 5.895
239 HH12 ARG 33 2HH1 ARG 33 -8.954 -0.905 6.521
240 HH21 ARG 33 1HH2 ARG 33 -9.692 2.254 5.217
241 HH22 ARG 33 2HH2 ARG 33 -10.292 0.913 6.134
242 H THR 34 H THR 34 -2.648 4.649 3.216
243 HA THR 34 HA THR 34 -3.865 7.099 3.961
244 HB THR 34 HB THR 34 -1.777 6.196 4.994
245 HG1 THR 34 HG1 THR 34 -2.297 8.394 5.270
246 HG21 THR 34 3HG2 THR 34 0.251 6.138 3.915
247 HG22 THR 34 1HG2 THR 34 -0.206 7.384 2.755
248 HG23 THR 34 2HG2 THR 34 -0.828 5.743 2.577
249 H HIS 35 H HIS 35 -2.022 6.067 1.135
250 HA HIS 35 HA HIS 35 -1.723 8.614 -0.042
251 HB2 HIS 35 1HB HIS 35 -1.483 5.796 -0.965
252 HB3 HIS 35 2HB HIS 35 -1.657 7.038 -2.202
253 HD1 HIS 35 HD1 HIS 35 0.214 8.983 -2.117
254 HD2 HIS 35 HD2 HIS 35 1.040 5.524 0.031
255 HE1 HIS 35 HE1 HIS 35 2.689 9.039 -1.678
256 H SER 36 H SER 36 -4.263 6.184 -0.221
257 HA SER 36 HA SER 36 -5.734 7.606 -2.250
258 HB2 SER 36 1HB SER 36 -6.097 5.084 -0.709
259 HB3 SER 36 2HB SER 36 -7.543 5.846 -1.370
260 HG SER 36 HG SER 36 -5.290 4.836 -2.730
261 H GLY 37 H GLY 37 -6.137 9.647 -1.382
262 HA2 GLY 37 1HA GLY 37 -8.536 9.956 0.039
263 HA3 GLY 37 2HA GLY 37 -7.206 10.140 1.174
264 H GLU 38 H GLU 38 -5.338 11.428 -0.423
265 HA GLU 38 HA GLU 38 -6.455 14.092 -0.448
266 HB2 GLU 38 1HB GLU 38 -4.154 14.822 -0.880
267 HB3 GLU 38 2HB GLU 38 -4.231 13.723 0.490
268 HG2 GLU 38 1HG GLU 38 -3.650 11.897 -1.240
269 HG3 GLU 38 2HG GLU 38 -3.134 13.249 -2.248
270 H SER 39 H SER 39 -4.999 11.872 -2.802
271 HA SER 39 HA SER 39 -5.657 13.690 -4.983
272 HB2 SER 39 1HB SER 39 -4.186 11.046 -4.925
273 HB3 SER 39 2HB SER 39 -4.492 11.970 -6.395
274 HG SER 39 HG SER 39 -3.404 13.749 -5.181
275 H GLY 40 H GLY 40 -7.636 13.626 -5.809
276 HA2 GLY 40 1HA GLY 40 -8.769 11.289 -6.903
277 HA3 GLY 40 2HA GLY 40 -9.525 11.612 -5.349
278 HA PRO 41 HA PRO 41 -12.078 13.886 -8.377
279 HB2 PRO 41 1HB PRO 41 -14.376 13.605 -6.959
280 HB3 PRO 41 2HB PRO 41 -13.765 12.360 -8.054
281 HG2 PRO 41 1HG PRO 41 -13.536 12.541 -5.074
282 HG3 PRO 41 2HG PRO 41 -13.910 11.132 -6.084
283 HD2 PRO 41 1HD PRO 41 -11.445 11.572 -5.054
284 HD3 PRO 41 2HD PRO 41 -11.697 10.767 -6.616
285 H SER 42 H SER 42 -10.977 14.458 -5.274
286 HA SER 42 HA SER 42 -12.573 16.628 -4.447
287 HB2 SER 42 1HB SER 42 -11.020 15.400 -2.951
288 HB3 SER 42 2HB SER 42 -9.657 16.114 -3.813
289 HG SER 42 HG SER 42 -10.651 17.140 -1.762
290 H SER 43 H SER 43 -12.038 18.890 -4.420
291 HA SER 43 HA SER 43 -10.363 19.718 -6.700
292 HB2 SER 43 1HB SER 43 -13.041 20.794 -5.808
293 HB3 SER 43 2HB SER 43 -11.980 21.668 -6.913
294 HG SER 43 HG SER 43 -12.440 20.293 -8.461
295 H GLY 44 H GLY 44 -8.676 20.892 -6.095
296 HA2 GLY 44 1HA GLY 44 -7.593 22.715 -5.100
297 HA3 GLY 44 2HA GLY 44 -8.983 22.939 -4.049
Start of MODEL 7
1 H1 GLY 1 H GLY 1 20.809 20.234 -3.582
2 HA2 GLY 1 1HA GLY 1 22.610 18.436 -3.543
3 HA3 GLY 1 2HA GLY 1 22.278 18.381 -1.818
4 H SER 2 H SER 2 22.077 16.116 -3.371
5 HA SER 2 HA SER 2 19.162 15.693 -3.498
6 HB2 SER 2 1HB SER 2 21.368 14.788 -5.287
7 HB3 SER 2 2HB SER 2 20.014 13.687 -5.033
8 HG SER 2 HG SER 2 18.676 15.078 -5.995
9 H SER 3 H SER 3 18.576 13.322 -3.200
10 HA SER 3 HA SER 3 20.301 12.076 -1.165
11 HB2 SER 3 1HB SER 3 18.400 13.209 -0.067
12 HB3 SER 3 2HB SER 3 17.280 12.271 -1.055
13 HG SER 3 HG SER 3 19.209 10.975 0.532
14 H GLY 4 H GLY 4 20.701 9.971 -1.463
15 HA2 GLY 4 1HA GLY 4 19.572 7.784 -2.040
16 HA3 GLY 4 2HA GLY 4 19.131 8.580 -3.543
17 H SER 5 H SER 5 22.197 8.634 -1.756
18 HA SER 5 HA SER 5 23.743 8.316 -4.105
19 HB2 SER 5 1HB SER 5 25.658 8.147 -2.601
20 HB3 SER 5 2HB SER 5 24.581 9.431 -2.055
21 HG SER 5 HG SER 5 24.767 6.800 -1.007
22 H SER 6 H SER 6 22.746 6.076 -1.556
23 HA SER 6 HA SER 6 23.036 3.841 -3.349
24 HB2 SER 6 1HB SER 6 24.757 3.972 -0.860
25 HB3 SER 6 2HB SER 6 24.600 2.579 -1.930
26 HG SER 6 HG SER 6 25.322 4.174 -3.616
27 H GLY 7 H GLY 7 21.075 2.993 -3.045
28 HA2 GLY 7 1HA GLY 7 20.397 1.693 -0.628
29 HA3 GLY 7 2HA GLY 7 19.507 3.203 -0.746
30 H THR 8 H THR 8 19.430 -0.036 -1.445
31 HA THR 8 HA THR 8 17.152 0.352 -3.245
32 HB THR 8 HB THR 8 17.895 -1.607 -4.617
33 HG1 THR 8 HG1 THR 8 20.375 -1.767 -4.421
34 HG21 THR 8 3HG2 THR 8 19.526 0.920 -4.565
35 HG22 THR 8 1HG2 THR 8 18.185 0.501 -5.631
36 HG23 THR 8 2HG2 THR 8 19.742 -0.309 -5.811
37 H ARG 9 H ARG 9 15.482 -1.031 -2.903
38 HA ARG 9 HA ARG 9 15.811 -2.952 -0.707
39 HB2 ARG 9 1HB ARG 9 14.056 -1.006 -0.740
40 HB3 ARG 9 2HB ARG 9 13.146 -2.100 -1.774
41 HG2 ARG 9 1HG ARG 9 12.323 -2.525 0.354
42 HG3 ARG 9 2HG ARG 9 13.481 -3.829 0.085
43 HD2 ARG 9 1HD ARG 9 14.394 -1.311 1.397
44 HD3 ARG 9 2HD ARG 9 13.472 -2.483 2.336
45 HE ARG 9 HE ARG 9 15.398 -3.998 1.207
46 HH11 ARG 9 1HH1 ARG 9 15.471 -1.031 3.026
47 HH12 ARG 9 2HH1 ARG 9 17.033 -1.337 3.711
48 HH21 ARG 9 1HH2 ARG 9 17.454 -4.413 2.102
49 HH22 ARG 9 2HH2 ARG 9 18.160 -3.260 3.184
50 H GLU 10 H GLU 10 14.820 -5.031 -0.845
51 HA GLU 10 HA GLU 10 14.805 -6.068 -3.580
52 HB2 GLU 10 1HB GLU 10 16.251 -7.126 -1.831
53 HB3 GLU 10 2HB GLU 10 14.790 -7.607 -0.980
54 HG2 GLU 10 1HG GLU 10 14.105 -8.874 -3.008
55 HG3 GLU 10 2HG GLU 10 15.676 -8.498 -3.712
56 H LYS 11 H LYS 11 12.727 -5.537 -0.851
57 HA LYS 11 HA LYS 11 10.657 -7.206 -1.012
58 HB2 LYS 11 1HB LYS 11 10.792 -4.265 -0.632
59 HB3 LYS 11 2HB LYS 11 9.200 -4.951 -0.928
60 HG2 LYS 11 1HG LYS 11 9.359 -4.947 1.380
61 HG3 LYS 11 2HG LYS 11 9.797 -6.603 0.952
62 HD2 LYS 11 1HD LYS 11 12.046 -6.261 1.411
63 HD3 LYS 11 2HD LYS 11 11.917 -4.509 1.237
64 HE2 LYS 11 1HE LYS 11 10.360 -4.667 3.301
65 HE3 LYS 11 2HE LYS 11 11.100 -6.250 3.534
66 HZ1 LYS 11 3HZ LYS 11 13.273 -4.802 3.210
67 HZ2 LYS 11 1HZ LYS 11 12.543 -5.002 4.723
68 HZ3 LYS 11 2HZ LYS 11 12.265 -3.593 3.830
69 HA PRO 12 HA PRO 12 9.337 -7.288 -5.240
70 HB2 PRO 12 1HB PRO 12 7.087 -8.756 -4.853
71 HB3 PRO 12 2HB PRO 12 8.708 -9.459 -4.832
72 HG2 PRO 12 1HG PRO 12 6.961 -8.660 -2.537
73 HG3 PRO 12 2HG PRO 12 7.955 -10.115 -2.732
74 HD2 PRO 12 1HD PRO 12 8.750 -7.996 -1.246
75 HD3 PRO 12 2HD PRO 12 9.894 -9.023 -2.134
76 H TYR 13 H TYR 13 6.821 -6.752 -2.764
77 HA TYR 13 HA TYR 13 5.120 -5.306 -4.535
78 HB2 TYR 13 1HB TYR 13 5.109 -5.419 -1.511
79 HB3 TYR 13 2HB TYR 13 3.804 -4.802 -2.520
80 HD1 TYR 13 HD2 TYR 13 2.592 -6.396 -4.047
81 HD2 TYR 13 HD1 TYR 13 5.313 -7.729 -1.060
82 HE1 TYR 13 HE2 TYR 13 1.621 -8.651 -4.177
83 HE2 TYR 13 HE1 TYR 13 4.350 -9.989 -1.183
84 HH TYR 13 HH TYR 13 1.434 -10.667 -2.646
85 H GLU 14 H GLU 14 5.169 -3.230 -5.088
86 HA GLU 14 HA GLU 14 6.663 -1.348 -3.390
87 HB2 GLU 14 1HB GLU 14 7.024 -1.964 -6.268
88 HB3 GLU 14 2HB GLU 14 7.081 -0.265 -5.819
89 HG2 GLU 14 1HG GLU 14 9.021 -0.485 -4.663
90 HG3 GLU 14 2HG GLU 14 8.689 -2.155 -4.206
91 H CYS 15 H CYS 15 5.860 0.735 -3.269
92 HA CYS 15 HA CYS 15 3.060 1.015 -3.813
93 HB2 CYS 15 1HB CYS 15 4.253 1.953 -1.795
94 HB3 CYS 15 2HB CYS 15 4.965 3.158 -2.863
95 H SER 16 H SER 16 2.202 1.671 -5.660
96 HA SER 16 HA SER 16 3.806 2.747 -7.770
97 HB2 SER 16 1HB SER 16 1.861 2.603 -9.120
98 HB3 SER 16 2HB SER 16 1.762 1.229 -8.019
99 HG SER 16 HG SER 16 -0.122 2.856 -8.380
100 H GLU 17 H GLU 17 2.822 4.192 -5.075
101 HA GLU 17 HA GLU 17 1.988 6.707 -6.325
102 HB2 GLU 17 1HB GLU 17 2.084 5.962 -3.397
103 HB3 GLU 17 2HB GLU 17 1.399 7.434 -4.069
104 HG2 GLU 17 1HG GLU 17 0.374 4.753 -4.904
105 HG3 GLU 17 2HG GLU 17 -0.174 5.510 -3.409
106 H CYS 18 H CYS 18 4.328 5.529 -3.912
107 HA CYS 18 HA CYS 18 6.017 7.859 -4.547
108 HB2 CYS 18 1HB CYS 18 7.011 7.557 -2.297
109 HB3 CYS 18 2HB CYS 18 5.285 7.899 -2.231
110 H GLY 19 H GLY 19 5.995 4.386 -3.893
111 HA2 GLY 19 1HA GLY 19 7.426 3.083 -5.464
112 HA3 GLY 19 2HA GLY 19 8.695 4.239 -5.088
113 H LYS 20 H LYS 20 6.844 3.587 -2.369
114 HA LYS 20 HA LYS 20 8.872 2.546 -0.836
115 HB2 LYS 20 1HB LYS 20 6.464 3.360 -0.208
116 HB3 LYS 20 2HB LYS 20 6.053 1.656 -0.345
117 HG2 LYS 20 1HG LYS 20 7.233 1.075 1.512
118 HG3 LYS 20 2HG LYS 20 8.404 2.380 1.312
119 HD2 LYS 20 1HD LYS 20 6.341 3.907 1.826
120 HD3 LYS 20 2HD LYS 20 5.686 2.436 2.551
121 HE2 LYS 20 1HE LYS 20 6.810 3.744 4.242
122 HE3 LYS 20 2HE LYS 20 7.713 2.259 3.946
123 HZ1 LYS 20 3HZ LYS 20 9.048 4.376 4.119
124 HZ2 LYS 20 1HZ LYS 20 8.400 4.814 2.618
125 HZ3 LYS 20 2HZ LYS 20 9.347 3.420 2.756
126 H ALA 21 H ALA 21 8.486 0.264 0.341
127 HA ALA 21 HA ALA 21 8.041 -1.817 -1.671
128 HB1 ALA 21 3HB ALA 21 10.592 -0.975 -1.039
129 HB2 ALA 21 1HB ALA 21 10.368 -2.410 -0.037
130 HB3 ALA 21 2HB ALA 21 10.156 -2.512 -1.786
131 H PHE 22 H PHE 22 7.620 -3.900 -0.801
132 HA PHE 22 HA PHE 22 7.367 -4.164 2.081
133 HB2 PHE 22 1HB PHE 22 4.961 -4.522 0.283
134 HB3 PHE 22 2HB PHE 22 5.009 -4.744 2.029
135 HD1 PHE 22 HD1 PHE 22 5.322 -2.223 -0.659
136 HD2 PHE 22 HD2 PHE 22 4.684 -2.938 3.488
137 HE1 PHE 22 HE1 PHE 22 4.714 0.141 -0.349
138 HE2 PHE 22 HE2 PHE 22 4.074 -0.575 3.805
139 HZ PHE 22 HZ PHE 22 4.088 0.967 1.885
140 H ILE 23 H ILE 23 6.785 -6.379 2.728
141 HA ILE 23 HA ILE 23 8.028 -8.296 0.921
142 HB ILE 23 HB ILE 23 7.134 -8.629 3.788
143 HG12 ILE 23 1HG1 ILE 23 9.983 -8.539 2.854
144 HG13 ILE 23 2HG1 ILE 23 9.107 -7.038 3.134
145 HG21 ILE 23 1HG2 ILE 23 7.177 -10.720 2.429
146 HG22 ILE 23 2HG2 ILE 23 8.895 -10.439 2.146
147 HG23 ILE 23 3HG2 ILE 23 8.305 -10.715 3.785
148 HD11 ILE 23 3HD1 ILE 23 9.488 -7.188 5.302
149 HD12 ILE 23 1HD1 ILE 23 8.728 -8.778 5.363
150 HD13 ILE 23 2HD1 ILE 23 10.450 -8.636 5.007
151 H ARG 24 H ARG 24 4.942 -7.699 2.512
152 HA ARG 24 HA ARG 24 3.753 -9.802 0.826
153 HB2 ARG 24 1HB ARG 24 2.832 -9.020 3.597
154 HB3 ARG 24 2HB ARG 24 2.163 -10.297 2.590
155 HG2 ARG 24 1HG ARG 24 5.000 -10.281 3.587
156 HG3 ARG 24 2HG ARG 24 3.664 -11.071 4.429
157 HD2 ARG 24 1HD ARG 24 4.404 -11.663 1.571
158 HD3 ARG 24 2HD ARG 24 5.056 -12.557 2.944
159 HE ARG 24 HE ARG 24 2.204 -12.468 2.971
160 HH11 ARG 24 1HH1 ARG 24 4.951 -14.073 1.558
161 HH12 ARG 24 2HH1 ARG 24 4.090 -15.541 1.232
162 HH21 ARG 24 1HH2 ARG 24 1.060 -14.395 2.547
163 HH22 ARG 24 2HH2 ARG 24 1.877 -15.722 1.794
164 H ASN 25 H ASN 25 2.019 -9.237 -0.363
165 HA ASN 25 HA ASN 25 1.413 -6.721 -1.110
166 HB2 ASN 25 1HB ASN 25 0.435 -9.055 -1.860
167 HB3 ASN 25 2HB ASN 25 -0.899 -8.593 -0.808
168 HD21 ASN 25 1HD2 ASN 25 -0.876 -5.839 -1.251
169 HD22 ASN 25 2HD2 ASN 25 -1.379 -5.542 -2.877
170 H SER 26 H SER 26 -0.471 -8.478 1.361
171 HA SER 26 HA SER 26 -2.236 -6.599 2.161
172 HB2 SER 26 1HB SER 26 -1.851 -8.925 3.146
173 HB3 SER 26 2HB SER 26 -0.654 -8.169 4.198
174 HG SER 26 HG SER 26 -2.660 -6.640 4.499
175 H GLN 27 H GLN 27 1.190 -6.692 2.999
176 HA GLN 27 HA GLN 27 1.159 -4.570 4.855
177 HB2 GLN 27 1HB GLN 27 3.446 -5.424 3.074
178 HB3 GLN 27 2HB GLN 27 3.569 -4.507 4.569
179 HG2 GLN 27 1HG GLN 27 2.265 -7.171 4.665
180 HG3 GLN 27 2HG GLN 27 4.017 -7.101 4.482
181 HE21 GLN 27 1HE2 GLN 27 4.728 -7.708 6.426
182 HE22 GLN 27 2HE2 GLN 27 4.320 -6.938 7.918
183 H LEU 28 H LEU 28 1.755 -4.654 1.362
184 HA LEU 28 HA LEU 28 2.384 -1.926 1.063
185 HB2 LEU 28 1HB LEU 28 2.978 -3.334 -0.709
186 HB3 LEU 28 2HB LEU 28 1.364 -4.036 -0.807
187 HG LEU 28 HG LEU 28 0.518 -1.924 -1.738
188 HD11 LEU 28 1HD1 LEU 28 1.740 -0.037 -1.982
189 HD12 LEU 28 2HD1 LEU 28 3.249 -0.912 -2.238
190 HD13 LEU 28 3HD1 LEU 28 2.613 -0.712 -0.606
191 HD21 LEU 28 3HD2 LEU 28 1.325 -2.263 -3.909
192 HD22 LEU 28 1HD2 LEU 28 1.513 -3.830 -3.121
193 HD23 LEU 28 2HD2 LEU 28 2.912 -2.777 -3.335
194 H ILE 29 H ILE 29 -0.675 -3.652 0.452
195 HA ILE 29 HA ILE 29 -2.289 -1.594 -0.314
196 HB ILE 29 HB ILE 29 -3.050 -3.819 1.582
197 HG12 ILE 29 1HG1 ILE 29 -3.518 -3.720 -1.391
198 HG13 ILE 29 2HG1 ILE 29 -2.031 -4.376 -0.716
199 HG21 ILE 29 1HG2 ILE 29 -5.289 -3.367 1.170
200 HG22 ILE 29 2HG2 ILE 29 -4.587 -1.759 1.342
201 HG23 ILE 29 3HG2 ILE 29 -4.933 -2.402 -0.263
202 HD11 ILE 29 3HD1 ILE 29 -4.733 -5.508 -0.799
203 HD12 ILE 29 1HD1 ILE 29 -3.160 -6.306 -0.777
204 HD13 ILE 29 2HD1 ILE 29 -3.874 -5.721 0.726
205 H VAL 30 H VAL 30 -1.668 -2.572 3.056
206 HA VAL 30 HA VAL 30 -3.210 -0.727 4.384
207 HB VAL 30 HB VAL 30 -0.463 -1.695 5.189
208 HG11 VAL 30 1HG1 VAL 30 -2.586 -0.794 7.094
209 HG12 VAL 30 2HG1 VAL 30 -0.843 -0.921 7.338
210 HG13 VAL 30 3HG1 VAL 30 -1.504 0.380 6.347
211 HG21 VAL 30 3HG2 VAL 30 -2.986 -3.028 4.973
212 HG22 VAL 30 1HG2 VAL 30 -1.426 -3.674 5.484
213 HG23 VAL 30 2HG2 VAL 30 -2.509 -2.944 6.669
214 H HIS 31 H HIS 31 -0.021 -0.274 2.951
215 HA HIS 31 HA HIS 31 0.367 2.356 3.986
216 HB2 HIS 31 1HB HIS 31 2.288 1.038 3.337
217 HB3 HIS 31 2HB HIS 31 1.683 0.893 1.689
218 HD1 HIS 31 HD1 HIS 31 2.738 3.685 4.053
219 HD2 HIS 31 HD2 HIS 31 2.758 2.718 0.013
220 HE1 HIS 31 HE1 HIS 31 3.962 5.566 2.918
221 H GLN 32 H GLN 32 -0.854 1.044 0.941
222 HA GLN 32 HA GLN 32 -1.037 3.422 -0.506
223 HB2 GLN 32 1HB GLN 32 -2.761 0.944 -0.614
224 HB3 GLN 32 2HB GLN 32 -2.835 2.244 -1.796
225 HG2 GLN 32 1HG GLN 32 -0.294 1.805 -2.060
226 HG3 GLN 32 2HG GLN 32 -0.665 0.255 -1.307
227 HE21 GLN 32 1HE2 GLN 32 -0.001 1.423 -4.139
228 HE22 GLN 32 2HE2 GLN 32 -1.065 0.525 -5.161
229 H ARG 33 H ARG 33 -3.113 2.083 1.968
230 HA ARG 33 HA ARG 33 -5.439 3.531 1.578
231 HB2 ARG 33 1HB ARG 33 -4.208 2.883 4.261
232 HB3 ARG 33 2HB ARG 33 -5.909 3.176 3.924
233 HG2 ARG 33 1HG ARG 33 -5.815 1.154 2.404
234 HG3 ARG 33 2HG ARG 33 -4.238 0.817 3.121
235 HD2 ARG 33 1HD ARG 33 -6.906 0.952 4.511
236 HD3 ARG 33 2HD ARG 33 -5.865 -0.457 4.313
237 HE ARG 33 HE ARG 33 -4.613 1.693 5.744
238 HH11 ARG 33 1HH1 ARG 33 -6.696 -1.083 6.016
239 HH12 ARG 33 2HH1 ARG 33 -6.347 -1.344 7.693
240 HH21 ARG 33 1HH2 ARG 33 -4.145 1.360 7.951
241 HH22 ARG 33 2HH2 ARG 33 -4.896 0.047 8.793
242 H THR 34 H THR 34 -2.381 4.548 2.936
243 HA THR 34 HA THR 34 -3.306 6.991 4.061
244 HB THR 34 HB THR 34 -0.980 7.610 4.281
245 HG1 THR 34 HG1 THR 34 -0.388 6.786 2.132
246 HG21 THR 34 3HG2 THR 34 -0.082 5.539 5.390
247 HG22 THR 34 1HG2 THR 34 -1.498 4.681 4.784
248 HG23 THR 34 2HG2 THR 34 -1.696 6.020 5.915
249 H HIS 35 H HIS 35 -1.998 6.077 0.920
250 HA HIS 35 HA HIS 35 -1.756 8.741 -0.066
251 HB2 HIS 35 1HB HIS 35 -1.658 6.008 -1.285
252 HB3 HIS 35 2HB HIS 35 -1.795 7.415 -2.336
253 HD1 HIS 35 HD1 HIS 35 0.199 9.198 -2.120
254 HD2 HIS 35 HD2 HIS 35 0.868 5.485 -0.382
255 HE1 HIS 35 HE1 HIS 35 2.684 9.061 -1.763
256 H SER 36 H SER 36 -4.250 6.253 -0.240
257 HA SER 36 HA SER 36 -5.929 7.479 -2.114
258 HB2 SER 36 1HB SER 36 -6.147 5.126 -1.282
259 HB3 SER 36 2HB SER 36 -6.801 5.767 0.224
260 HG SER 36 HG SER 36 -7.905 5.945 -2.377
261 H GLY 37 H GLY 37 -7.644 8.892 -1.947
262 HA2 GLY 37 1HA GLY 37 -9.202 10.237 -0.763
263 HA3 GLY 37 2HA GLY 37 -8.215 10.064 0.680
264 H GLU 38 H GLU 38 -5.790 10.896 0.045
265 HA GLU 38 HA GLU 38 -6.096 13.715 -0.178
266 HB2 GLU 38 1HB GLU 38 -4.343 12.642 1.199
267 HB3 GLU 38 2HB GLU 38 -3.567 12.060 -0.267
268 HG2 GLU 38 1HG GLU 38 -2.400 13.994 0.494
269 HG3 GLU 38 2HG GLU 38 -3.266 14.412 -0.983
270 H SER 39 H SER 39 -5.965 15.010 -1.899
271 HA SER 39 HA SER 39 -6.112 14.078 -4.505
272 HB2 SER 39 1HB SER 39 -5.861 16.365 -5.210
273 HB3 SER 39 2HB SER 39 -6.766 16.370 -3.696
274 HG SER 39 HG SER 39 -4.147 16.500 -3.164
275 H GLY 40 H GLY 40 -4.539 14.750 -6.295
276 HA2 GLY 40 1HA GLY 40 -1.999 15.259 -6.427
277 HA3 GLY 40 2HA GLY 40 -1.882 13.756 -5.524
278 HA PRO 41 HA PRO 41 -3.545 12.742 -9.980
279 HB2 PRO 41 1HB PRO 41 -3.044 14.652 -11.842
280 HB3 PRO 41 2HB PRO 41 -4.547 14.587 -10.913
281 HG2 PRO 41 1HG PRO 41 -2.121 16.286 -10.476
282 HG3 PRO 41 2HG PRO 41 -3.834 16.736 -10.382
283 HD2 PRO 41 1HD PRO 41 -2.339 16.222 -8.183
284 HD3 PRO 41 2HD PRO 41 -4.076 15.863 -8.263
285 H SER 42 H SER 42 -1.860 11.279 -9.976
286 HA SER 42 HA SER 42 0.772 12.183 -10.879
287 HB2 SER 42 1HB SER 42 1.505 9.882 -10.247
288 HB3 SER 42 2HB SER 42 0.789 10.776 -8.905
289 HG SER 42 HG SER 42 0.083 8.501 -9.305
290 H SER 43 H SER 43 1.916 10.443 -12.310
291 HA SER 43 HA SER 43 0.229 10.122 -14.670
292 HB2 SER 43 1HB SER 43 3.214 9.694 -14.408
293 HB3 SER 43 2HB SER 43 2.291 9.824 -15.905
294 HG SER 43 HG SER 43 2.545 11.873 -13.955
295 H GLY 44 H GLY 44 -0.945 8.289 -14.534
296 HA2 GLY 44 1HA GLY 44 -1.150 5.990 -14.980
297 HA3 GLY 44 2HA GLY 44 0.531 5.773 -14.518
Start of MODEL 8
1 H1 GLY 1 H GLY 1 19.735 13.586 -17.778
2 HA2 GLY 1 1HA GLY 1 19.238 15.223 -15.700
3 HA3 GLY 1 2HA GLY 1 18.529 13.618 -15.799
4 H SER 2 H SER 2 18.726 14.375 -13.348
5 HA SER 2 HA SER 2 21.185 14.157 -12.026
6 HB2 SER 2 1HB SER 2 18.345 13.714 -11.112
7 HB3 SER 2 2HB SER 2 19.715 13.559 -10.013
8 HG SER 2 HG SER 2 20.093 15.677 -10.151
9 H SER 3 H SER 3 18.849 11.723 -13.011
10 HA SER 3 HA SER 3 18.831 9.440 -12.810
11 HB2 SER 3 1HB SER 3 21.523 10.233 -13.805
12 HB3 SER 3 2HB SER 3 21.294 8.545 -13.349
13 HG SER 3 HG SER 3 19.323 9.704 -14.933
14 H GLY 4 H GLY 4 18.836 10.457 -10.313
15 HA2 GLY 4 1HA GLY 4 20.987 9.181 -8.802
16 HA3 GLY 4 2HA GLY 4 19.754 10.252 -8.152
17 H SER 5 H SER 5 19.836 7.126 -9.872
18 HA SER 5 HA SER 5 18.141 6.019 -7.739
19 HB2 SER 5 1HB SER 5 16.925 4.713 -9.512
20 HB3 SER 5 2HB SER 5 16.635 6.452 -9.566
21 HG SER 5 HG SER 5 18.746 5.463 -11.088
22 H SER 6 H SER 6 19.348 4.532 -6.768
23 HA SER 6 HA SER 6 20.626 2.474 -8.405
24 HB2 SER 6 1HB SER 6 22.020 4.325 -6.516
25 HB3 SER 6 2HB SER 6 22.573 2.653 -6.620
26 HG SER 6 HG SER 6 22.463 3.188 -9.040
27 H GLY 7 H GLY 7 21.368 0.606 -7.026
28 HA2 GLY 7 1HA GLY 7 20.946 -1.007 -5.443
29 HA3 GLY 7 2HA GLY 7 20.382 0.280 -4.388
30 H THR 8 H THR 8 19.484 -2.253 -6.536
31 HA THR 8 HA THR 8 16.751 -1.540 -6.875
32 HB THR 8 HB THR 8 17.886 -3.112 -8.393
33 HG1 THR 8 HG1 THR 8 15.861 -4.632 -7.168
34 HG21 THR 8 3HG2 THR 8 17.783 -5.046 -6.076
35 HG22 THR 8 1HG2 THR 8 19.246 -4.274 -6.687
36 HG23 THR 8 2HG2 THR 8 18.347 -5.396 -7.710
37 H ARG 9 H ARG 9 15.013 -1.925 -5.630
38 HA ARG 9 HA ARG 9 15.366 -2.679 -2.915
39 HB2 ARG 9 1HB ARG 9 12.902 -2.200 -4.589
40 HB3 ARG 9 2HB ARG 9 12.832 -2.593 -2.876
41 HG2 ARG 9 1HG ARG 9 14.163 -0.185 -4.099
42 HG3 ARG 9 2HG ARG 9 12.639 -0.207 -3.209
43 HD2 ARG 9 1HD ARG 9 13.907 -1.098 -1.241
44 HD3 ARG 9 2HD ARG 9 15.392 -0.816 -2.148
45 HE ARG 9 HE ARG 9 15.217 1.403 -1.646
46 HH11 ARG 9 1HH1 ARG 9 12.107 -0.095 -1.192
47 HH12 ARG 9 2HH1 ARG 9 11.377 1.323 -0.516
48 HH21 ARG 9 1HH2 ARG 9 14.267 3.277 -0.757
49 HH22 ARG 9 2HH2 ARG 9 12.606 3.241 -0.270
50 H GLU 10 H GLU 10 15.148 -4.596 -1.930
51 HA GLU 10 HA GLU 10 14.979 -6.975 -3.483
52 HB2 GLU 10 1HB GLU 10 16.288 -6.705 -1.351
53 HB3 GLU 10 2HB GLU 10 14.761 -6.733 -0.481
54 HG2 GLU 10 1HG GLU 10 14.355 -8.981 -1.613
55 HG3 GLU 10 2HG GLU 10 16.066 -8.937 -2.036
56 H LYS 11 H LYS 11 12.772 -5.336 -1.253
57 HA LYS 11 HA LYS 11 10.751 -7.239 -1.140
58 HB2 LYS 11 1HB LYS 11 10.912 -4.304 -0.749
59 HB3 LYS 11 2HB LYS 11 9.306 -4.973 -1.006
60 HG2 LYS 11 1HG LYS 11 9.501 -5.013 1.288
61 HG3 LYS 11 2HG LYS 11 9.974 -6.654 0.844
62 HD2 LYS 11 1HD LYS 11 11.683 -6.140 2.270
63 HD3 LYS 11 2HD LYS 11 12.378 -5.550 0.758
64 HE2 LYS 11 1HE LYS 11 11.359 -3.298 1.351
65 HE3 LYS 11 2HE LYS 11 11.073 -3.966 2.957
66 HZ1 LYS 11 3HZ LYS 11 13.116 -3.203 3.380
67 HZ2 LYS 11 1HZ LYS 11 13.535 -3.079 1.745
68 HZ3 LYS 11 2HZ LYS 11 13.662 -4.566 2.540
69 HA PRO 12 HA PRO 12 9.291 -7.307 -5.324
70 HB2 PRO 12 1HB PRO 12 7.074 -8.805 -4.868
71 HB3 PRO 12 2HB PRO 12 8.703 -9.489 -4.912
72 HG2 PRO 12 1HG PRO 12 7.031 -8.729 -2.548
73 HG3 PRO 12 2HG PRO 12 8.034 -10.171 -2.792
74 HD2 PRO 12 1HD PRO 12 8.859 -8.055 -1.318
75 HD3 PRO 12 2HD PRO 12 9.982 -9.061 -2.255
76 H TYR 13 H TYR 13 6.828 -6.860 -2.776
77 HA TYR 13 HA TYR 13 5.065 -5.402 -4.468
78 HB2 TYR 13 1HB TYR 13 5.154 -5.593 -1.450
79 HB3 TYR 13 2HB TYR 13 3.821 -4.925 -2.386
80 HD1 TYR 13 HD2 TYR 13 2.488 -6.430 -3.869
81 HD2 TYR 13 HD1 TYR 13 5.391 -7.937 -1.148
82 HE1 TYR 13 HE2 TYR 13 1.484 -8.668 -4.047
83 HE2 TYR 13 HE1 TYR 13 4.396 -10.179 -1.318
84 HH TYR 13 HH TYR 13 2.088 -11.129 -1.915
85 H GLU 14 H GLU 14 5.073 -3.319 -4.996
86 HA GLU 14 HA GLU 14 6.629 -1.452 -3.334
87 HB2 GLU 14 1HB GLU 14 6.800 -1.997 -6.239
88 HB3 GLU 14 2HB GLU 14 6.839 -0.303 -5.769
89 HG2 GLU 14 1HG GLU 14 8.862 -0.480 -4.759
90 HG3 GLU 14 2HG GLU 14 8.609 -2.162 -4.296
91 H CYS 15 H CYS 15 5.886 0.708 -3.278
92 HA CYS 15 HA CYS 15 3.021 0.934 -3.544
93 HB2 CYS 15 1HB CYS 15 4.242 1.849 -1.582
94 HB3 CYS 15 2HB CYS 15 5.034 3.006 -2.647
95 H SER 16 H SER 16 1.915 1.971 -5.091
96 HA SER 16 HA SER 16 3.397 3.006 -7.365
97 HB2 SER 16 1HB SER 16 1.259 1.457 -7.365
98 HB3 SER 16 2HB SER 16 0.406 2.997 -7.251
99 HG SER 16 HG SER 16 0.832 3.335 -9.273
100 H GLU 17 H GLU 17 2.974 4.408 -4.658
101 HA GLU 17 HA GLU 17 1.914 6.934 -5.744
102 HB2 GLU 17 1HB GLU 17 2.100 6.247 -2.816
103 HB3 GLU 17 2HB GLU 17 1.189 7.549 -3.568
104 HG2 GLU 17 1HG GLU 17 0.525 4.752 -4.311
105 HG3 GLU 17 2HG GLU 17 0.020 5.348 -2.731
106 H CYS 18 H CYS 18 4.415 5.471 -3.721
107 HA CYS 18 HA CYS 18 6.057 7.880 -4.152
108 HB2 CYS 18 1HB CYS 18 7.123 7.424 -1.958
109 HB3 CYS 18 2HB CYS 18 5.408 7.794 -1.816
110 H GLY 19 H GLY 19 6.023 4.374 -3.688
111 HA2 GLY 19 1HA GLY 19 7.370 3.127 -5.362
112 HA3 GLY 19 2HA GLY 19 8.660 4.272 -5.022
113 H LYS 20 H LYS 20 6.961 3.516 -2.227
114 HA LYS 20 HA LYS 20 9.098 2.398 -0.879
115 HB2 LYS 20 1HB LYS 20 6.754 3.274 -0.057
116 HB3 LYS 20 2HB LYS 20 6.317 1.573 -0.149
117 HG2 LYS 20 1HG LYS 20 7.655 0.988 1.597
118 HG3 LYS 20 2HG LYS 20 8.811 2.286 1.290
119 HD2 LYS 20 1HD LYS 20 7.257 3.920 2.184
120 HD3 LYS 20 2HD LYS 20 6.034 2.668 2.409
121 HE2 LYS 20 1HE LYS 20 8.723 2.758 3.774
122 HE3 LYS 20 2HE LYS 20 7.191 3.233 4.505
123 HZ1 LYS 20 3HZ LYS 20 7.020 0.626 3.393
124 HZ2 LYS 20 1HZ LYS 20 6.742 1.130 4.984
125 HZ3 LYS 20 2HZ LYS 20 8.306 0.717 4.489
126 H ALA 21 H ALA 21 8.778 0.110 0.264
127 HA ALA 21 HA ALA 21 8.062 -1.908 -1.736
128 HB1 ALA 21 3HB ALA 21 10.621 -1.209 -1.585
129 HB2 ALA 21 1HB ALA 21 10.589 -2.369 -0.257
130 HB3 ALA 21 2HB ALA 21 10.115 -2.873 -1.879
131 H PHE 22 H PHE 22 7.675 -4.007 -0.869
132 HA PHE 22 HA PHE 22 7.664 -4.320 2.018
133 HB2 PHE 22 1HB PHE 22 5.107 -4.527 0.414
134 HB3 PHE 22 2HB PHE 22 5.283 -4.879 2.130
135 HD1 PHE 22 HD1 PHE 22 5.426 -2.185 -0.393
136 HD2 PHE 22 HD2 PHE 22 5.185 -3.168 3.741
137 HE1 PHE 22 HE1 PHE 22 4.927 0.166 0.134
138 HE2 PHE 22 HE2 PHE 22 4.685 -0.819 4.274
139 HZ PHE 22 HZ PHE 22 4.555 0.852 2.470
140 H ILE 23 H ILE 23 6.786 -6.557 2.603
141 HA ILE 23 HA ILE 23 7.994 -8.468 0.758
142 HB ILE 23 HB ILE 23 7.016 -8.868 3.588
143 HG12 ILE 23 1HG1 ILE 23 9.895 -8.924 2.787
144 HG13 ILE 23 2HG1 ILE 23 9.107 -7.362 2.980
145 HG21 ILE 23 1HG2 ILE 23 6.935 -10.980 2.609
146 HG22 ILE 23 2HG2 ILE 23 8.362 -10.681 1.619
147 HG23 ILE 23 3HG2 ILE 23 8.531 -10.934 3.355
148 HD11 ILE 23 3HD1 ILE 23 10.227 -9.001 4.964
149 HD12 ILE 23 1HD1 ILE 23 9.360 -7.479 5.169
150 HD13 ILE 23 2HD1 ILE 23 8.482 -9.008 5.222
151 H ARG 24 H ARG 24 4.925 -7.858 2.407
152 HA ARG 24 HA ARG 24 3.652 -9.782 0.573
153 HB2 ARG 24 1HB ARG 24 2.776 -9.112 3.388
154 HB3 ARG 24 2HB ARG 24 2.005 -10.265 2.306
155 HG2 ARG 24 1HG ARG 24 4.345 -11.405 2.297
156 HG3 ARG 24 2HG ARG 24 4.582 -10.490 3.787
157 HD2 ARG 24 1HD ARG 24 3.742 -12.650 4.373
158 HD3 ARG 24 2HD ARG 24 2.458 -11.473 4.644
159 HE ARG 24 HE ARG 24 2.312 -12.664 2.052
160 HH11 ARG 24 1HH1 ARG 24 1.541 -13.133 5.414
161 HH12 ARG 24 2HH1 ARG 24 0.230 -14.219 5.097
162 HH21 ARG 24 1HH2 ARG 24 0.588 -14.094 1.621
163 HH22 ARG 24 2HH2 ARG 24 -0.311 -14.766 2.939
164 H ASN 25 H ASN 25 1.889 -9.112 -0.539
165 HA ASN 25 HA ASN 25 1.426 -6.515 -1.168
166 HB2 ASN 25 1HB ASN 25 0.359 -8.773 -2.049
167 HB3 ASN 25 2HB ASN 25 -0.973 -8.288 -1.004
168 HD21 ASN 25 1HD2 ASN 25 -0.704 -5.497 -1.339
169 HD22 ASN 25 2HD2 ASN 25 -1.189 -5.110 -2.952
170 H SER 26 H SER 26 -0.434 -8.346 1.259
171 HA SER 26 HA SER 26 -2.217 -6.539 2.149
172 HB2 SER 26 1HB SER 26 -0.476 -8.195 3.991
173 HB3 SER 26 2HB SER 26 -2.073 -7.548 4.365
174 HG SER 26 HG SER 26 -1.352 -9.669 2.685
175 H GLN 27 H GLN 27 1.225 -6.558 2.972
176 HA GLN 27 HA GLN 27 1.166 -4.422 4.799
177 HB2 GLN 27 1HB GLN 27 3.488 -5.099 3.000
178 HB3 GLN 27 2HB GLN 27 3.540 -4.361 4.595
179 HG2 GLN 27 1HG GLN 27 2.365 -6.633 5.275
180 HG3 GLN 27 2HG GLN 27 3.188 -7.199 3.823
181 HE21 GLN 27 1HE2 GLN 27 3.481 -7.217 6.985
182 HE22 GLN 27 2HE2 GLN 27 5.195 -7.105 7.172
183 H LEU 28 H LEU 28 1.868 -4.480 1.315
184 HA LEU 28 HA LEU 28 2.381 -1.752 0.998
185 HB2 LEU 28 1HB LEU 28 2.989 -3.069 -0.805
186 HB3 LEU 28 2HB LEU 28 1.447 -3.923 -0.828
187 HG LEU 28 HG LEU 28 0.371 -1.908 -1.751
188 HD11 LEU 28 1HD1 LEU 28 3.155 -0.793 -2.015
189 HD12 LEU 28 2HD1 LEU 28 2.013 -0.302 -0.764
190 HD13 LEU 28 3HD1 LEU 28 1.635 -0.018 -2.463
191 HD21 LEU 28 3HD2 LEU 28 0.786 -3.115 -3.586
192 HD22 LEU 28 1HD2 LEU 28 2.429 -3.500 -3.073
193 HD23 LEU 28 2HD2 LEU 28 2.095 -1.968 -3.880
194 H ILE 29 H ILE 29 -0.658 -3.543 0.508
195 HA ILE 29 HA ILE 29 -2.328 -1.533 -0.282
196 HB ILE 29 HB ILE 29 -2.963 -3.755 1.661
197 HG12 ILE 29 1HG1 ILE 29 -3.639 -3.625 -1.271
198 HG13 ILE 29 2HG1 ILE 29 -2.099 -4.267 -0.710
199 HG21 ILE 29 1HG2 ILE 29 -5.189 -2.855 0.078
200 HG22 ILE 29 2HG2 ILE 29 -5.047 -3.007 1.829
201 HG23 ILE 29 3HG2 ILE 29 -4.525 -1.526 1.028
202 HD11 ILE 29 3HD1 ILE 29 -3.639 -5.747 0.810
203 HD12 ILE 29 1HD1 ILE 29 -4.835 -5.384 -0.433
204 HD13 ILE 29 2HD1 ILE 29 -3.323 -6.181 -0.870
205 H VAL 30 H VAL 30 -1.859 -2.491 3.126
206 HA VAL 30 HA VAL 30 -3.313 -0.497 4.339
207 HB VAL 30 HB VAL 30 -0.734 -1.733 5.312
208 HG11 VAL 30 1HG1 VAL 30 -0.991 0.168 6.641
209 HG12 VAL 30 2HG1 VAL 30 -2.750 0.024 6.670
210 HG13 VAL 30 3HG1 VAL 30 -1.756 -1.112 7.583
211 HG21 VAL 30 3HG2 VAL 30 -2.747 -2.829 6.774
212 HG22 VAL 30 1HG2 VAL 30 -3.525 -2.629 5.204
213 HG23 VAL 30 2HG2 VAL 30 -2.036 -3.565 5.337
214 H HIS 31 H HIS 31 -0.061 -0.337 3.021
215 HA HIS 31 HA HIS 31 0.507 2.264 4.085
216 HB2 HIS 31 1HB HIS 31 2.354 0.790 3.608
217 HB3 HIS 31 2HB HIS 31 1.849 0.624 1.929
218 HD1 HIS 31 HD1 HIS 31 3.474 3.051 4.290
219 HD2 HIS 31 HD2 HIS 31 2.672 2.658 0.232
220 HE1 HIS 31 HE1 HIS 31 4.792 4.873 3.165
221 H GLN 32 H GLN 32 -1.121 1.041 1.307
222 HA GLN 32 HA GLN 32 -0.888 3.497 -0.206
223 HB2 GLN 32 1HB GLN 32 -2.397 0.927 -0.663
224 HB3 GLN 32 2HB GLN 32 -2.539 2.313 -1.736
225 HG2 GLN 32 1HG GLN 32 0.019 2.181 -1.908
226 HG3 GLN 32 2HG GLN 32 -0.165 0.565 -1.229
227 HE21 GLN 32 1HE2 GLN 32 0.515 1.850 -3.968
228 HE22 GLN 32 2HE2 GLN 32 -0.398 0.890 -5.076
229 H ARG 33 H ARG 33 -3.046 2.081 2.085
230 HA ARG 33 HA ARG 33 -5.464 3.279 1.494
231 HB2 ARG 33 1HB ARG 33 -4.201 2.675 4.168
232 HB3 ARG 33 2HB ARG 33 -5.865 3.215 3.988
233 HG2 ARG 33 1HG ARG 33 -6.035 1.189 2.347
234 HG3 ARG 33 2HG ARG 33 -4.623 0.615 3.236
235 HD2 ARG 33 1HD ARG 33 -7.241 1.436 4.489
236 HD3 ARG 33 2HD ARG 33 -6.763 -0.227 4.151
237 HE ARG 33 HE ARG 33 -4.728 0.655 5.666
238 HH11 ARG 33 1HH1 ARG 33 -8.183 0.803 6.068
239 HH12 ARG 33 2HH1 ARG 33 -8.114 0.762 7.799
240 HH21 ARG 33 1HH2 ARG 33 -4.624 0.600 7.944
241 HH22 ARG 33 2HH2 ARG 33 -6.089 0.647 8.865
242 H THR 34 H THR 34 -2.678 4.627 3.197
243 HA THR 34 HA THR 34 -3.941 7.080 3.896
244 HB THR 34 HB THR 34 -1.931 6.197 5.065
245 HG1 THR 34 HG1 THR 34 -2.038 8.791 3.973
246 HG21 THR 34 3HG2 THR 34 0.149 6.053 4.108
247 HG22 THR 34 1HG2 THR 34 -0.198 7.293 2.904
248 HG23 THR 34 2HG2 THR 34 -0.855 5.668 2.710
249 H HIS 35 H HIS 35 -2.051 5.985 1.144
250 HA HIS 35 HA HIS 35 -1.651 8.544 -0.018
251 HB2 HIS 35 1HB HIS 35 -1.368 5.718 -0.926
252 HB3 HIS 35 2HB HIS 35 -1.430 6.976 -2.157
253 HD1 HIS 35 HD1 HIS 35 0.386 9.029 -1.613
254 HD2 HIS 35 HD2 HIS 35 1.139 5.256 -0.043
255 HE1 HIS 35 HE1 HIS 35 2.840 9.007 -1.064
256 H SER 36 H SER 36 -4.190 6.131 -0.251
257 HA SER 36 HA SER 36 -5.532 7.268 -2.476
258 HB2 SER 36 1HB SER 36 -6.602 5.489 -0.271
259 HB3 SER 36 2HB SER 36 -7.430 5.842 -1.787
260 HG SER 36 HG SER 36 -6.130 3.831 -1.650
261 H GLY 37 H GLY 37 -5.641 7.842 0.976
262 HA2 GLY 37 1HA GLY 37 -8.009 9.131 1.373
263 HA3 GLY 37 2HA GLY 37 -6.509 9.635 2.137
264 H GLU 38 H GLU 38 -5.305 11.339 1.228
265 HA GLU 38 HA GLU 38 -6.940 13.234 -0.230
266 HB2 GLU 38 1HB GLU 38 -5.062 14.799 0.182
267 HB3 GLU 38 2HB GLU 38 -5.681 14.067 1.656
268 HG2 GLU 38 1HG GLU 38 -3.813 12.458 1.604
269 HG3 GLU 38 2HG GLU 38 -3.175 13.286 0.184
270 H SER 39 H SER 39 -6.121 10.897 -1.676
271 HA SER 39 HA SER 39 -3.906 11.193 -3.307
272 HB2 SER 39 1HB SER 39 -5.101 9.762 -4.928
273 HB3 SER 39 2HB SER 39 -5.263 9.157 -3.280
274 HG SER 39 HG SER 39 -7.306 10.516 -3.353
275 H GLY 40 H GLY 40 -7.214 12.381 -3.869
276 HA2 GLY 40 1HA GLY 40 -6.066 14.362 -5.730
277 HA3 GLY 40 2HA GLY 40 -7.507 13.454 -6.164
278 HA PRO 41 HA PRO 41 -8.569 16.590 -2.589
279 HB2 PRO 41 1HB PRO 41 -6.949 18.767 -2.534
280 HB3 PRO 41 2HB PRO 41 -6.646 17.319 -1.566
281 HG2 PRO 41 1HG PRO 41 -5.421 18.149 -4.169
282 HG3 PRO 41 2HG PRO 41 -4.641 17.452 -2.737
283 HD2 PRO 41 1HD PRO 41 -5.257 15.978 -4.924
284 HD3 PRO 41 2HD PRO 41 -5.277 15.304 -3.281
285 H SER 42 H SER 42 -10.257 16.854 -4.122
286 HA SER 42 HA SER 42 -9.967 19.108 -5.982
287 HB2 SER 42 1HB SER 42 -11.979 16.854 -5.858
288 HB3 SER 42 2HB SER 42 -12.112 18.217 -6.969
289 HG SER 42 HG SER 42 -10.148 17.595 -7.893
290 H SER 43 H SER 43 -10.207 20.777 -4.467
291 HA SER 43 HA SER 43 -12.974 21.150 -3.548
292 HB2 SER 43 1HB SER 43 -11.416 20.447 -1.669
293 HB3 SER 43 2HB SER 43 -10.577 21.980 -1.906
294 HG SER 43 HG SER 43 -13.363 21.808 -1.430
295 H GLY 44 H GLY 44 -13.383 22.551 -5.266
296 HA2 GLY 44 1HA GLY 44 -12.065 25.176 -5.005
297 HA3 GLY 44 2HA GLY 44 -12.277 24.444 -6.588
Start of MODEL 9
1 H1 GLY 1 H GLY 1 21.893 9.009 -24.314
2 HA2 GLY 1 1HA GLY 1 21.145 10.683 -21.999
3 HA3 GLY 1 2HA GLY 1 20.424 9.124 -22.368
4 H SER 2 H SER 2 20.981 8.690 -20.095
5 HA SER 2 HA SER 2 23.749 7.709 -19.889
6 HB2 SER 2 1HB SER 2 22.173 9.356 -17.955
7 HB3 SER 2 2HB SER 2 23.309 8.167 -17.320
8 HG SER 2 HG SER 2 24.604 9.845 -17.588
9 H SER 3 H SER 3 24.040 5.731 -18.921
10 HA SER 3 HA SER 3 21.600 4.150 -18.564
11 HB2 SER 3 1HB SER 3 24.480 3.319 -18.982
12 HB3 SER 3 2HB SER 3 23.151 2.189 -18.721
13 HG SER 3 HG SER 3 23.862 2.879 -20.996
14 H GLY 4 H GLY 4 24.724 4.761 -16.973
15 HA2 GLY 4 1HA GLY 4 25.411 4.378 -14.806
16 HA3 GLY 4 2HA GLY 4 23.839 5.057 -14.408
17 H SER 5 H SER 5 22.734 3.837 -13.047
18 HA SER 5 HA SER 5 22.114 1.132 -13.520
19 HB2 SER 5 1HB SER 5 24.294 0.502 -12.861
20 HB3 SER 5 2HB SER 5 24.327 1.678 -11.547
21 HG SER 5 HG SER 5 22.332 -0.256 -11.455
22 H SER 6 H SER 6 20.322 0.600 -12.410
23 HA SER 6 HA SER 6 19.349 2.531 -10.441
24 HB2 SER 6 1HB SER 6 18.063 0.559 -12.274
25 HB3 SER 6 2HB SER 6 17.220 0.970 -10.780
26 HG SER 6 HG SER 6 17.870 3.258 -11.628
27 H GLY 7 H GLY 7 19.234 -1.021 -10.819
28 HA2 GLY 7 1HA GLY 7 20.402 -2.230 -8.921
29 HA3 GLY 7 2HA GLY 7 19.410 -1.221 -7.879
30 H THR 8 H THR 8 19.200 -3.820 -7.440
31 HA THR 8 HA THR 8 16.741 -4.664 -8.828
32 HB THR 8 HB THR 8 18.814 -6.364 -7.430
33 HG1 THR 8 HG1 THR 8 18.274 -5.694 -10.089
34 HG21 THR 8 3HG2 THR 8 17.505 -8.243 -7.797
35 HG22 THR 8 1HG2 THR 8 16.521 -7.445 -9.022
36 HG23 THR 8 2HG2 THR 8 16.304 -7.045 -7.318
37 H ARG 9 H ARG 9 15.231 -3.678 -7.518
38 HA ARG 9 HA ARG 9 15.131 -3.291 -4.851
39 HB2 ARG 9 1HB ARG 9 12.680 -3.524 -4.975
40 HB3 ARG 9 2HB ARG 9 13.327 -2.606 -6.328
41 HG2 ARG 9 1HG ARG 9 12.955 -5.523 -6.700
42 HG3 ARG 9 2HG ARG 9 11.515 -4.504 -6.646
43 HD2 ARG 9 1HD ARG 9 11.939 -4.354 -8.869
44 HD3 ARG 9 2HD ARG 9 12.985 -3.044 -8.322
45 HE ARG 9 HE ARG 9 14.576 -5.259 -8.255
46 HH11 ARG 9 1HH1 ARG 9 12.631 -3.700 -10.685
47 HH12 ARG 9 2HH1 ARG 9 13.643 -4.199 -12.001
48 HH21 ARG 9 1HH2 ARG 9 15.915 -5.922 -9.978
49 HH22 ARG 9 2HH2 ARG 9 15.510 -5.464 -11.597
50 H GLU 10 H GLU 10 14.702 -4.431 -3.001
51 HA GLU 10 HA GLU 10 15.125 -7.296 -3.155
52 HB2 GLU 10 1HB GLU 10 14.806 -5.488 -0.753
53 HB3 GLU 10 2HB GLU 10 15.273 -7.181 -0.701
54 HG2 GLU 10 1HG GLU 10 17.270 -6.592 -2.076
55 HG3 GLU 10 2HG GLU 10 16.829 -4.896 -1.882
56 H LYS 11 H LYS 11 12.596 -5.042 -2.186
57 HA LYS 11 HA LYS 11 10.816 -7.207 -1.417
58 HB2 LYS 11 1HB LYS 11 10.812 -4.250 -1.179
59 HB3 LYS 11 2HB LYS 11 9.240 -5.029 -1.303
60 HG2 LYS 11 1HG LYS 11 9.603 -4.905 0.981
61 HG3 LYS 11 2HG LYS 11 10.080 -6.557 0.585
62 HD2 LYS 11 1HD LYS 11 12.157 -4.425 0.517
63 HD3 LYS 11 2HD LYS 11 11.600 -5.005 2.088
64 HE2 LYS 11 1HE LYS 11 12.550 -6.833 -0.108
65 HE3 LYS 11 2HE LYS 11 13.619 -6.179 1.132
66 HZ1 LYS 11 3HZ LYS 11 12.500 -7.342 2.804
67 HZ2 LYS 11 1HZ LYS 11 12.637 -8.461 1.542
68 HZ3 LYS 11 2HZ LYS 11 11.164 -7.679 1.821
69 HA PRO 12 HA PRO 12 9.067 -7.593 -5.462
70 HB2 PRO 12 1HB PRO 12 6.887 -9.051 -4.761
71 HB3 PRO 12 2HB PRO 12 8.515 -9.735 -4.841
72 HG2 PRO 12 1HG PRO 12 6.975 -8.787 -2.456
73 HG3 PRO 12 2HG PRO 12 7.971 -10.243 -2.639
74 HD2 PRO 12 1HD PRO 12 8.866 -8.013 -1.390
75 HD3 PRO 12 2HD PRO 12 9.939 -9.091 -2.305
76 H TYR 13 H TYR 13 7.028 -6.625 -2.723
77 HA TYR 13 HA TYR 13 5.105 -5.356 -4.488
78 HB2 TYR 13 1HB TYR 13 5.235 -5.453 -1.467
79 HB3 TYR 13 2HB TYR 13 3.893 -4.816 -2.411
80 HD1 TYR 13 HD2 TYR 13 2.496 -6.354 -3.765
81 HD2 TYR 13 HD1 TYR 13 5.513 -7.802 -1.138
82 HE1 TYR 13 HE2 TYR 13 1.483 -8.594 -3.847
83 HE2 TYR 13 HE1 TYR 13 4.510 -10.046 -1.213
84 HH TYR 13 HH TYR 13 1.550 -10.674 -3.075
85 H GLU 14 H GLU 14 5.048 -3.258 -4.995
86 HA GLU 14 HA GLU 14 6.601 -1.358 -3.387
87 HB2 GLU 14 1HB GLU 14 6.990 -2.047 -6.242
88 HB3 GLU 14 2HB GLU 14 7.030 -0.335 -5.844
89 HG2 GLU 14 1HG GLU 14 8.961 -0.506 -4.666
90 HG3 GLU 14 2HG GLU 14 8.638 -2.163 -4.160
91 H CYS 15 H CYS 15 5.763 0.696 -3.265
92 HA CYS 15 HA CYS 15 2.979 0.966 -3.876
93 HB2 CYS 15 1HB CYS 15 4.001 1.923 -1.832
94 HB3 CYS 15 2HB CYS 15 4.924 3.037 -2.835
95 H SER 16 H SER 16 2.104 1.718 -5.681
96 HA SER 16 HA SER 16 3.769 2.777 -7.779
97 HB2 SER 16 1HB SER 16 0.824 2.157 -7.577
98 HB3 SER 16 2HB SER 16 1.525 2.925 -9.001
99 HG SER 16 HG SER 16 2.538 1.109 -9.507
100 H GLU 17 H GLU 17 2.909 4.237 -5.141
101 HA GLU 17 HA GLU 17 1.961 6.716 -6.406
102 HB2 GLU 17 1HB GLU 17 2.041 6.136 -3.448
103 HB3 GLU 17 2HB GLU 17 1.156 7.411 -4.274
104 HG2 GLU 17 1HG GLU 17 0.547 4.569 -4.921
105 HG3 GLU 17 2HG GLU 17 -0.065 5.267 -3.422
106 H CYS 18 H CYS 18 4.381 5.433 -4.162
107 HA CYS 18 HA CYS 18 6.007 7.837 -4.675
108 HB2 CYS 18 1HB CYS 18 6.953 7.574 -2.407
109 HB3 CYS 18 2HB CYS 18 5.219 7.874 -2.372
110 H GLY 19 H GLY 19 6.000 4.369 -4.000
111 HA2 GLY 19 1HA GLY 19 7.471 3.067 -5.533
112 HA3 GLY 19 2HA GLY 19 8.723 4.236 -5.144
113 H LYS 20 H LYS 20 6.825 3.585 -2.455
114 HA LYS 20 HA LYS 20 8.847 2.560 -0.889
115 HB2 LYS 20 1HB LYS 20 6.511 3.430 -0.221
116 HB3 LYS 20 2HB LYS 20 5.975 1.772 -0.460
117 HG2 LYS 20 1HG LYS 20 7.072 1.002 1.379
118 HG3 LYS 20 2HG LYS 20 8.341 2.224 1.272
119 HD2 LYS 20 1HD LYS 20 6.736 3.928 2.034
120 HD3 LYS 20 2HD LYS 20 5.497 2.678 2.180
121 HE2 LYS 20 1HE LYS 20 8.125 2.509 3.628
122 HE3 LYS 20 2HE LYS 20 6.736 3.357 4.305
123 HZ1 LYS 20 3HZ LYS 20 7.279 0.619 4.367
124 HZ2 LYS 20 1HZ LYS 20 5.898 0.835 3.414
125 HZ3 LYS 20 2HZ LYS 20 5.935 1.430 4.997
126 H ALA 21 H ALA 21 8.476 0.302 0.305
127 HA ALA 21 HA ALA 21 7.993 -1.805 -1.670
128 HB1 ALA 21 3HB ALA 21 10.583 -0.981 -0.822
129 HB2 ALA 21 1HB ALA 21 10.271 -2.600 -0.194
130 HB3 ALA 21 2HB ALA 21 10.142 -2.285 -1.925
131 H PHE 22 H PHE 22 7.801 -3.952 -0.701
132 HA PHE 22 HA PHE 22 7.493 -4.125 2.167
133 HB2 PHE 22 1HB PHE 22 5.091 -4.541 0.375
134 HB3 PHE 22 2HB PHE 22 5.142 -4.794 2.116
135 HD1 PHE 22 HD1 PHE 22 5.502 -2.193 -0.502
136 HD2 PHE 22 HD2 PHE 22 4.683 -3.046 3.586
137 HE1 PHE 22 HE1 PHE 22 4.847 0.151 -0.148
138 HE2 PHE 22 HE2 PHE 22 4.025 -0.703 3.947
139 HZ PHE 22 HZ PHE 22 4.106 0.899 2.079
140 H ILE 23 H ILE 23 6.669 -6.382 2.772
141 HA ILE 23 HA ILE 23 8.088 -8.302 1.082
142 HB ILE 23 HB ILE 23 7.008 -8.686 3.876
143 HG12 ILE 23 1HG1 ILE 23 9.669 -8.662 4.209
144 HG13 ILE 23 2HG1 ILE 23 9.559 -7.572 2.832
145 HG21 ILE 23 1HG2 ILE 23 8.375 -10.427 1.940
146 HG22 ILE 23 2HG2 ILE 23 9.004 -10.481 3.586
147 HG23 ILE 23 3HG2 ILE 23 7.304 -10.837 3.280
148 HD11 ILE 23 3HD1 ILE 23 7.664 -6.504 4.379
149 HD12 ILE 23 1HD1 ILE 23 8.700 -7.196 5.626
150 HD13 ILE 23 2HD1 ILE 23 9.362 -6.040 4.470
151 H ARG 24 H ARG 24 4.910 -7.635 2.415
152 HA ARG 24 HA ARG 24 3.814 -9.742 0.679
153 HB2 ARG 24 1HB ARG 24 2.810 -9.069 3.451
154 HB3 ARG 24 2HB ARG 24 2.149 -10.290 2.371
155 HG2 ARG 24 1HG ARG 24 4.633 -11.201 2.483
156 HG3 ARG 24 2HG ARG 24 4.605 -10.345 4.026
157 HD2 ARG 24 1HD ARG 24 3.897 -12.496 4.574
158 HD3 ARG 24 2HD ARG 24 2.395 -11.582 4.442
159 HE ARG 24 HE ARG 24 1.832 -12.813 2.575
160 HH11 ARG 24 1HH1 ARG 24 5.130 -13.459 3.484
161 HH12 ARG 24 2HH1 ARG 24 5.295 -14.815 2.419
162 HH21 ARG 24 1HH2 ARG 24 2.037 -14.597 1.168
163 HH22 ARG 24 2HH2 ARG 24 3.535 -15.461 1.101
164 H ASN 25 H ASN 25 1.901 -9.269 -0.358
165 HA ASN 25 HA ASN 25 1.351 -6.726 -1.162
166 HB2 ASN 25 1HB ASN 25 0.346 -9.074 -1.868
167 HB3 ASN 25 2HB ASN 25 -0.979 -8.565 -0.824
168 HD21 ASN 25 1HD2 ASN 25 -0.940 -5.834 -1.316
169 HD22 ASN 25 2HD2 ASN 25 -1.424 -5.556 -2.951
170 H SER 26 H SER 26 -0.519 -8.461 1.335
171 HA SER 26 HA SER 26 -2.245 -6.536 2.143
172 HB2 SER 26 1HB SER 26 -2.109 -7.526 4.434
173 HB3 SER 26 2HB SER 26 -2.260 -8.734 3.159
174 HG SER 26 HG SER 26 -0.627 -9.484 4.369
175 H GLN 27 H GLN 27 1.185 -6.710 2.896
176 HA GLN 27 HA GLN 27 1.222 -4.629 4.814
177 HB2 GLN 27 1HB GLN 27 3.474 -5.528 3.011
178 HB3 GLN 27 2HB GLN 27 3.632 -4.634 4.517
179 HG2 GLN 27 1HG GLN 27 2.249 -7.260 4.585
180 HG3 GLN 27 2HG GLN 27 4.002 -7.239 4.396
181 HE21 GLN 27 1HE2 GLN 27 4.730 -7.862 6.321
182 HE22 GLN 27 2HE2 GLN 27 4.340 -7.111 7.827
183 H LEU 28 H LEU 28 1.653 -4.690 1.311
184 HA LEU 28 HA LEU 28 2.397 -1.963 1.055
185 HB2 LEU 28 1HB LEU 28 2.983 -3.341 -0.738
186 HB3 LEU 28 2HB LEU 28 1.370 -4.043 -0.842
187 HG LEU 28 HG LEU 28 0.517 -1.946 -1.772
188 HD11 LEU 28 1HD1 LEU 28 1.635 -0.085 -1.276
189 HD12 LEU 28 2HD1 LEU 28 2.748 -0.538 -2.566
190 HD13 LEU 28 3HD1 LEU 28 3.110 -0.973 -0.896
191 HD21 LEU 28 3HD2 LEU 28 2.726 -2.244 -3.605
192 HD22 LEU 28 1HD2 LEU 28 1.032 -2.694 -3.800
193 HD23 LEU 28 2HD2 LEU 28 2.158 -3.811 -3.029
194 H ILE 29 H ILE 29 -0.682 -3.642 0.408
195 HA ILE 29 HA ILE 29 -2.265 -1.552 -0.339
196 HB ILE 29 HB ILE 29 -3.069 -3.785 1.530
197 HG12 ILE 29 1HG1 ILE 29 -3.486 -3.654 -1.452
198 HG13 ILE 29 2HG1 ILE 29 -2.033 -4.356 -0.748
199 HG21 ILE 29 1HG2 ILE 29 -5.012 -2.555 -0.325
200 HG22 ILE 29 2HG2 ILE 29 -5.242 -3.193 1.302
201 HG23 ILE 29 3HG2 ILE 29 -4.536 -1.593 1.075
202 HD11 ILE 29 3HD1 ILE 29 -3.556 -5.884 0.553
203 HD12 ILE 29 1HD1 ILE 29 -4.867 -5.300 -0.470
204 HD13 ILE 29 2HD1 ILE 29 -3.495 -6.144 -1.190
205 H VAL 30 H VAL 30 -1.691 -2.588 3.023
206 HA VAL 30 HA VAL 30 -3.209 -0.749 4.374
207 HB VAL 30 HB VAL 30 -0.471 -1.765 5.147
208 HG11 VAL 30 1HG1 VAL 30 -2.298 0.095 6.456
209 HG12 VAL 30 2HG1 VAL 30 -1.843 -1.276 7.470
210 HG13 VAL 30 3HG1 VAL 30 -0.596 -0.238 6.776
211 HG21 VAL 30 3HG2 VAL 30 -2.921 -3.101 4.873
212 HG22 VAL 30 1HG2 VAL 30 -1.451 -3.697 5.644
213 HG23 VAL 30 2HG2 VAL 30 -2.682 -2.878 6.606
214 H HIS 31 H HIS 31 -0.035 -0.282 2.919
215 HA HIS 31 HA HIS 31 0.352 2.341 3.988
216 HB2 HIS 31 1HB HIS 31 2.302 1.097 3.375
217 HB3 HIS 31 2HB HIS 31 1.694 0.830 1.744
218 HD1 HIS 31 HD1 HIS 31 2.701 3.789 3.918
219 HD2 HIS 31 HD2 HIS 31 2.704 2.575 -0.055
220 HE1 HIS 31 HE1 HIS 31 3.869 5.624 2.656
221 H GLN 32 H GLN 32 -0.957 1.027 0.999
222 HA GLN 32 HA GLN 32 -1.103 3.434 -0.450
223 HB2 GLN 32 1HB GLN 32 -2.786 0.932 -0.628
224 HB3 GLN 32 2HB GLN 32 -2.845 2.246 -1.795
225 HG2 GLN 32 1HG GLN 32 -0.348 1.863 -2.105
226 HG3 GLN 32 2HG GLN 32 -0.593 0.351 -1.232
227 HE21 GLN 32 1HE2 GLN 32 -0.122 1.403 -4.170
228 HE22 GLN 32 2HE2 GLN 32 -1.125 0.339 -5.091
229 H ARG 33 H ARG 33 -2.994 2.190 2.145
230 HA ARG 33 HA ARG 33 -5.429 3.496 1.717
231 HB2 ARG 33 1HB ARG 33 -4.113 2.933 4.379
232 HB3 ARG 33 2HB ARG 33 -5.827 3.207 4.097
233 HG2 ARG 33 1HG ARG 33 -5.757 1.158 2.601
234 HG3 ARG 33 2HG ARG 33 -4.163 0.844 3.292
235 HD2 ARG 33 1HD ARG 33 -5.885 -0.401 4.482
236 HD3 ARG 33 2HD ARG 33 -5.143 0.805 5.532
237 HE ARG 33 HE ARG 33 -7.871 0.797 4.532
238 HH11 ARG 33 1HH1 ARG 33 -5.334 2.531 6.166
239 HH12 ARG 33 2HH1 ARG 33 -6.411 3.666 6.912
240 HH21 ARG 33 1HH2 ARG 33 -9.299 2.284 5.507
241 HH22 ARG 33 2HH2 ARG 33 -8.666 3.524 6.537
242 H THR 34 H THR 34 -2.376 4.659 2.949
243 HA THR 34 HA THR 34 -3.389 7.109 4.014
244 HB THR 34 HB THR 34 -1.115 7.772 4.323
245 HG1 THR 34 HG1 THR 34 -0.419 5.631 2.570
246 HG21 THR 34 3HG2 THR 34 -1.467 4.803 4.714
247 HG22 THR 34 1HG2 THR 34 -1.773 6.085 5.885
248 HG23 THR 34 2HG2 THR 34 -0.121 5.725 5.383
249 H HIS 35 H HIS 35 -1.921 6.137 0.952
250 HA HIS 35 HA HIS 35 -1.706 8.735 -0.146
251 HB2 HIS 35 1HB HIS 35 -1.611 5.955 -1.222
252 HB3 HIS 35 2HB HIS 35 -1.835 7.277 -2.364
253 HD1 HIS 35 HD1 HIS 35 0.092 9.211 -2.186
254 HD2 HIS 35 HD2 HIS 35 0.979 5.489 -0.567
255 HE1 HIS 35 HE1 HIS 35 2.597 9.151 -1.970
256 H SER 36 H SER 36 -4.245 6.285 -0.242
257 HA SER 36 HA SER 36 -5.909 7.484 -2.142
258 HB2 SER 36 1HB SER 36 -6.801 5.865 0.254
259 HB3 SER 36 2HB SER 36 -7.679 6.088 -1.259
260 HG SER 36 HG SER 36 -6.677 4.173 -1.504
261 H GLY 37 H GLY 37 -7.052 9.301 -2.118
262 HA2 GLY 37 1HA GLY 37 -8.807 10.352 -0.456
263 HA3 GLY 37 2HA GLY 37 -7.329 10.752 0.407
264 H GLU 38 H GLU 38 -6.223 12.536 -0.160
265 HA GLU 38 HA GLU 38 -7.423 14.347 -2.021
266 HB2 GLU 38 1HB GLU 38 -6.294 15.043 0.101
267 HB3 GLU 38 2HB GLU 38 -4.755 14.597 -0.623
268 HG2 GLU 38 1HG GLU 38 -5.427 16.234 -2.501
269 HG3 GLU 38 2HG GLU 38 -6.585 16.852 -1.324
270 H SER 39 H SER 39 -4.143 12.947 -1.863
271 HA SER 39 HA SER 39 -2.531 12.813 -3.504
272 HB2 SER 39 1HB SER 39 -3.194 11.264 -5.299
273 HB3 SER 39 2HB SER 39 -3.797 10.719 -3.734
274 HG SER 39 HG SER 39 -5.181 11.642 -5.953
275 H GLY 40 H GLY 40 -3.481 15.358 -3.571
276 HA2 GLY 40 1HA GLY 40 -4.210 15.981 -6.330
277 HA3 GLY 40 2HA GLY 40 -4.151 17.115 -4.989
278 HA PRO 41 HA PRO 41 -0.296 17.330 -7.759
279 HB2 PRO 41 1HB PRO 41 -0.847 19.685 -8.991
280 HB3 PRO 41 2HB PRO 41 -1.336 18.119 -9.650
281 HG2 PRO 41 1HG PRO 41 -2.947 20.105 -8.093
282 HG3 PRO 41 2HG PRO 41 -3.406 19.172 -9.529
283 HD2 PRO 41 1HD PRO 41 -4.166 18.465 -7.028
284 HD3 PRO 41 2HD PRO 41 -3.855 17.271 -8.306
285 H SER 42 H SER 42 -1.752 18.830 -5.216
286 HA SER 42 HA SER 42 -0.769 21.250 -4.696
287 HB2 SER 42 1HB SER 42 -0.627 20.693 -2.355
288 HB3 SER 42 2HB SER 42 -1.954 19.765 -3.053
289 HG SER 42 HG SER 42 0.624 18.877 -2.314
290 H SER 43 H SER 43 1.102 21.943 -5.603
291 HA SER 43 HA SER 43 3.334 22.340 -5.803
292 HB2 SER 43 1HB SER 43 3.077 21.913 -3.198
293 HB3 SER 43 2HB SER 43 4.012 20.466 -3.576
294 HG SER 43 HG SER 43 5.687 21.716 -3.577
295 H GLY 44 H GLY 44 2.367 20.538 -7.538
296 HA2 GLY 44 1HA GLY 44 4.562 18.576 -7.718
297 HA3 GLY 44 2HA GLY 44 2.903 18.098 -8.047
Start of MODEL 10
1 H1 GLY 1 H GLY 1 29.045 13.391 -9.895
2 HA2 GLY 1 1HA GLY 1 30.803 13.716 -7.639
3 HA3 GLY 1 2HA GLY 1 29.077 13.392 -7.581
4 H SER 2 H SER 2 28.386 11.372 -7.150
5 HA SER 2 HA SER 2 30.452 9.360 -6.643
6 HB2 SER 2 1HB SER 2 27.544 9.330 -5.804
7 HB3 SER 2 2HB SER 2 28.819 8.252 -5.237
8 HG SER 2 HG SER 2 29.180 11.008 -4.936
9 H SER 3 H SER 3 30.418 7.328 -7.541
10 HA SER 3 HA SER 3 28.992 7.093 -10.046
11 HB2 SER 3 1HB SER 3 30.407 5.247 -10.514
12 HB3 SER 3 2HB SER 3 31.423 6.406 -9.656
13 HG SER 3 HG SER 3 30.930 3.893 -9.009
14 H GLY 4 H GLY 4 27.896 5.025 -10.617
15 HA2 GLY 4 1HA GLY 4 26.912 2.971 -9.479
16 HA3 GLY 4 2HA GLY 4 26.253 4.130 -8.334
17 H SER 5 H SER 5 25.000 2.196 -10.272
18 HA SER 5 HA SER 5 23.376 4.128 -11.793
19 HB2 SER 5 1HB SER 5 23.914 1.198 -12.326
20 HB3 SER 5 2HB SER 5 22.768 2.178 -13.239
21 HG SER 5 HG SER 5 24.560 3.559 -13.763
22 H SER 6 H SER 6 23.044 0.907 -10.290
23 HA SER 6 HA SER 6 20.815 1.729 -8.702
24 HB2 SER 6 1HB SER 6 19.669 1.530 -10.864
25 HB3 SER 6 2HB SER 6 20.271 -0.118 -11.040
26 HG SER 6 HG SER 6 18.693 -0.770 -9.831
27 H GLY 7 H GLY 7 19.865 -0.143 -7.493
28 HA2 GLY 7 1HA GLY 7 21.990 -2.124 -6.989
29 HA3 GLY 7 2HA GLY 7 20.817 -1.579 -5.799
30 H THR 8 H THR 8 19.495 -3.178 -5.276
31 HA THR 8 HA THR 8 18.226 -4.713 -7.425
32 HB THR 8 HB THR 8 19.377 -6.024 -4.955
33 HG1 THR 8 HG1 THR 8 21.144 -5.827 -6.150
34 HG21 THR 8 3HG2 THR 8 17.384 -6.838 -6.824
35 HG22 THR 8 1HG2 THR 8 18.053 -7.741 -5.465
36 HG23 THR 8 2HG2 THR 8 18.812 -7.847 -7.054
37 H ARG 9 H ARG 9 16.096 -4.975 -7.136
38 HA ARG 9 HA ARG 9 14.688 -3.622 -5.153
39 HB2 ARG 9 1HB ARG 9 13.872 -5.890 -6.967
40 HB3 ARG 9 2HB ARG 9 12.741 -5.073 -5.896
41 HG2 ARG 9 1HG ARG 9 13.363 -2.927 -7.035
42 HG3 ARG 9 2HG ARG 9 14.260 -3.895 -8.206
43 HD2 ARG 9 1HD ARG 9 12.253 -5.045 -8.868
44 HD3 ARG 9 2HD ARG 9 11.330 -4.247 -7.595
45 HE ARG 9 HE ARG 9 12.544 -2.383 -9.386
46 HH11 ARG 9 1HH1 ARG 9 9.830 -4.522 -8.963
47 HH12 ARG 9 2HH1 ARG 9 8.794 -3.628 -10.025
48 HH21 ARG 9 1HH2 ARG 9 11.189 -1.198 -10.786
49 HH22 ARG 9 2HH2 ARG 9 9.568 -1.738 -11.063
50 H GLU 10 H GLU 10 14.859 -4.024 -3.042
51 HA GLU 10 HA GLU 10 15.488 -6.567 -1.952
52 HB2 GLU 10 1HB GLU 10 15.880 -4.229 -0.939
53 HB3 GLU 10 2HB GLU 10 14.208 -4.328 -0.403
54 HG2 GLU 10 1HG GLU 10 14.776 -6.444 0.772
55 HG3 GLU 10 2HG GLU 10 16.464 -6.171 0.343
56 H LYS 11 H LYS 11 12.485 -4.650 -1.917
57 HA LYS 11 HA LYS 11 11.012 -7.067 -1.138
58 HB2 LYS 11 1HB LYS 11 10.570 -4.151 -0.775
59 HB3 LYS 11 2HB LYS 11 9.141 -5.155 -0.978
60 HG2 LYS 11 1HG LYS 11 9.356 -5.182 1.294
61 HG3 LYS 11 2HG LYS 11 10.290 -6.618 0.870
62 HD2 LYS 11 1HD LYS 11 12.315 -5.586 1.294
63 HD3 LYS 11 2HD LYS 11 11.654 -3.965 1.063
64 HE2 LYS 11 1HE LYS 11 11.010 -5.789 3.378
65 HE3 LYS 11 2HE LYS 11 12.177 -4.469 3.425
66 HZ1 LYS 11 3HZ LYS 11 9.441 -4.336 3.887
67 HZ2 LYS 11 1HZ LYS 11 9.720 -3.514 2.435
68 HZ3 LYS 11 2HZ LYS 11 10.544 -3.055 3.839
69 HA PRO 12 HA PRO 12 9.375 -7.505 -5.206
70 HB2 PRO 12 1HB PRO 12 7.182 -8.989 -4.606
71 HB3 PRO 12 2HB PRO 12 8.823 -9.647 -4.586
72 HG2 PRO 12 1HG PRO 12 7.137 -8.692 -2.304
73 HG3 PRO 12 2HG PRO 12 8.164 -10.134 -2.410
74 HD2 PRO 12 1HD PRO 12 8.953 -7.872 -1.146
75 HD3 PRO 12 2HD PRO 12 10.093 -8.945 -1.984
76 H TYR 13 H TYR 13 7.009 -6.726 -2.655
77 HA TYR 13 HA TYR 13 5.247 -5.432 -4.539
78 HB2 TYR 13 1HB TYR 13 5.136 -5.556 -1.518
79 HB3 TYR 13 2HB TYR 13 3.855 -4.953 -2.564
80 HD1 TYR 13 HD2 TYR 13 2.685 -6.544 -4.105
81 HD2 TYR 13 HD1 TYR 13 5.400 -7.877 -1.112
82 HE1 TYR 13 HE2 TYR 13 1.756 -8.814 -4.282
83 HE2 TYR 13 HE1 TYR 13 4.479 -10.151 -1.282
84 HH TYR 13 HH TYR 13 1.698 -10.928 -2.440
85 H GLU 14 H GLU 14 5.150 -3.326 -5.015
86 HA GLU 14 HA GLU 14 6.648 -1.438 -3.327
87 HB2 GLU 14 1HB GLU 14 6.925 -1.991 -6.218
88 HB3 GLU 14 2HB GLU 14 6.894 -0.292 -5.767
89 HG2 GLU 14 1HG GLU 14 8.890 -0.390 -4.698
90 HG3 GLU 14 2HG GLU 14 8.673 -2.070 -4.210
91 H CYS 15 H CYS 15 5.949 0.801 -3.526
92 HA CYS 15 HA CYS 15 3.057 0.953 -3.799
93 HB2 CYS 15 1HB CYS 15 4.276 1.898 -1.812
94 HB3 CYS 15 2HB CYS 15 4.967 3.110 -2.886
95 H SER 16 H SER 16 2.050 1.774 -5.507
96 HA SER 16 HA SER 16 3.602 2.906 -7.672
97 HB2 SER 16 1HB SER 16 1.823 1.268 -8.148
98 HB3 SER 16 2HB SER 16 0.627 2.374 -7.472
99 HG SER 16 HG SER 16 2.304 2.962 -9.685
100 H GLU 17 H GLU 17 3.079 4.355 -5.068
101 HA GLU 17 HA GLU 17 1.881 6.786 -6.224
102 HB2 GLU 17 1HB GLU 17 2.022 6.150 -3.280
103 HB3 GLU 17 2HB GLU 17 1.085 7.412 -4.068
104 HG2 GLU 17 1HG GLU 17 0.548 4.581 -4.793
105 HG3 GLU 17 2HG GLU 17 -0.033 5.186 -3.243
106 H CYS 18 H CYS 18 4.401 5.509 -4.101
107 HA CYS 18 HA CYS 18 5.967 7.944 -4.629
108 HB2 CYS 18 1HB CYS 18 6.887 7.795 -2.337
109 HB3 CYS 18 2HB CYS 18 5.150 8.086 -2.342
110 H GLY 19 H GLY 19 6.003 4.516 -3.759
111 HA2 GLY 19 1HA GLY 19 7.567 3.256 -5.323
112 HA3 GLY 19 2HA GLY 19 8.788 4.367 -4.720
113 H LYS 20 H LYS 20 6.748 3.795 -2.208
114 HA LYS 20 HA LYS 20 8.491 2.579 -0.525
115 HB2 LYS 20 1HB LYS 20 5.959 3.384 -0.254
116 HB3 LYS 20 2HB LYS 20 5.670 1.651 -0.327
117 HG2 LYS 20 1HG LYS 20 5.929 1.856 1.909
118 HG3 LYS 20 2HG LYS 20 7.626 1.647 1.474
119 HD2 LYS 20 1HD LYS 20 7.485 4.289 1.220
120 HD3 LYS 20 2HD LYS 20 6.175 4.074 2.384
121 HE2 LYS 20 1HE LYS 20 8.174 4.470 3.619
122 HE3 LYS 20 2HE LYS 20 7.770 2.764 3.801
123 HZ1 LYS 20 3HZ LYS 20 9.689 2.178 2.886
124 HZ2 LYS 20 1HZ LYS 20 10.170 3.798 2.971
125 HZ3 LYS 20 2HZ LYS 20 9.464 3.199 1.556
126 H ALA 21 H ALA 21 8.464 0.352 0.401
127 HA ALA 21 HA ALA 21 7.965 -1.694 -1.656
128 HB1 ALA 21 3HB ALA 21 10.082 -2.435 -1.669
129 HB2 ALA 21 1HB ALA 21 10.469 -0.838 -1.026
130 HB3 ALA 21 2HB ALA 21 10.277 -2.208 0.069
131 H PHE 22 H PHE 22 7.628 -3.839 -0.849
132 HA PHE 22 HA PHE 22 7.321 -4.241 1.994
133 HB2 PHE 22 1HB PHE 22 4.867 -4.546 0.265
134 HB3 PHE 22 2HB PHE 22 4.973 -4.655 2.019
135 HD1 PHE 22 HD1 PHE 22 5.101 -2.351 -0.853
136 HD2 PHE 22 HD2 PHE 22 4.862 -2.721 3.380
137 HE1 PHE 22 HE1 PHE 22 4.544 0.040 -0.679
138 HE2 PHE 22 HE2 PHE 22 4.304 -0.332 3.561
139 HZ PHE 22 HZ PHE 22 4.143 1.052 1.530
140 H ILE 23 H ILE 23 6.974 -6.443 2.562
141 HA ILE 23 HA ILE 23 7.995 -8.280 0.561
142 HB ILE 23 HB ILE 23 7.304 -8.826 3.450
143 HG12 ILE 23 1HG1 ILE 23 10.080 -8.424 2.366
144 HG13 ILE 23 2HG1 ILE 23 9.115 -7.050 2.896
145 HG21 ILE 23 1HG2 ILE 23 7.454 -10.764 1.820
146 HG22 ILE 23 2HG2 ILE 23 9.167 -10.375 1.673
147 HG23 ILE 23 3HG2 ILE 23 8.501 -10.844 3.237
148 HD11 ILE 23 3HD1 ILE 23 10.695 -8.801 4.448
149 HD12 ILE 23 1HD1 ILE 23 9.730 -7.425 4.981
150 HD13 ILE 23 2HD1 ILE 23 9.011 -9.035 4.918
151 H ARG 24 H ARG 24 5.042 -7.715 2.382
152 HA ARG 24 HA ARG 24 3.730 -9.809 0.775
153 HB2 ARG 24 1HB ARG 24 3.038 -8.952 3.592
154 HB3 ARG 24 2HB ARG 24 2.174 -10.156 2.645
155 HG2 ARG 24 1HG ARG 24 5.088 -10.530 3.110
156 HG3 ARG 24 2HG ARG 24 3.963 -10.852 4.431
157 HD2 ARG 24 1HD ARG 24 2.691 -12.191 2.538
158 HD3 ARG 24 2HD ARG 24 4.305 -12.256 1.832
159 HE ARG 24 HE ARG 24 3.362 -13.733 4.075
160 HH11 ARG 24 1HH1 ARG 24 6.186 -12.210 2.725
161 HH12 ARG 24 2HH1 ARG 24 7.301 -13.249 3.549
162 HH21 ARG 24 1HH2 ARG 24 4.820 -15.107 5.166
163 HH22 ARG 24 2HH2 ARG 24 6.523 -14.897 4.937
164 H ASN 25 H ASN 25 2.003 -9.213 -0.391
165 HA ASN 25 HA ASN 25 1.402 -6.668 -1.093
166 HB2 ASN 25 1HB ASN 25 0.452 -8.984 -1.920
167 HB3 ASN 25 2HB ASN 25 -0.889 -8.577 -0.854
168 HD21 ASN 25 1HD2 ASN 25 -0.607 -5.719 -1.291
169 HD22 ASN 25 2HD2 ASN 25 -1.229 -5.410 -2.873
170 H SER 26 H SER 26 -0.443 -8.512 1.342
171 HA SER 26 HA SER 26 -2.246 -6.683 2.182
172 HB2 SER 26 1HB SER 26 -0.594 -8.528 3.921
173 HB3 SER 26 2HB SER 26 -2.038 -7.679 4.472
174 HG SER 26 HG SER 26 -3.114 -8.762 2.649
175 H GLN 27 H GLN 27 1.194 -6.670 2.883
176 HA GLN 27 HA GLN 27 1.117 -4.595 4.822
177 HB2 GLN 27 1HB GLN 27 3.432 -5.393 3.053
178 HB3 GLN 27 2HB GLN 27 3.524 -4.509 4.570
179 HG2 GLN 27 1HG GLN 27 2.254 -7.190 4.593
180 HG3 GLN 27 2HG GLN 27 4.007 -7.096 4.427
181 HE21 GLN 27 1HE2 GLN 27 4.707 -7.738 6.362
182 HE22 GLN 27 2HE2 GLN 27 4.279 -7.006 7.867
183 H LEU 28 H LEU 28 1.925 -4.623 1.357
184 HA LEU 28 HA LEU 28 2.471 -1.904 1.075
185 HB2 LEU 28 1HB LEU 28 3.086 -3.205 -0.735
186 HB3 LEU 28 2HB LEU 28 1.536 -4.043 -0.786
187 HG LEU 28 HG LEU 28 0.516 -1.924 -1.647
188 HD11 LEU 28 1HD1 LEU 28 2.202 -0.366 -0.830
189 HD12 LEU 28 2HD1 LEU 28 2.009 -0.231 -2.577
190 HD13 LEU 28 3HD1 LEU 28 3.400 -1.084 -1.907
191 HD21 LEU 28 3HD2 LEU 28 2.637 -3.413 -3.153
192 HD22 LEU 28 1HD2 LEU 28 1.698 -2.133 -3.922
193 HD23 LEU 28 2HD2 LEU 28 0.882 -3.554 -3.269
194 H ILE 29 H ILE 29 -0.585 -3.617 0.405
195 HA ILE 29 HA ILE 29 -2.192 -1.554 -0.345
196 HB ILE 29 HB ILE 29 -2.951 -3.807 1.519
197 HG12 ILE 29 1HG1 ILE 29 -3.463 -3.637 -1.444
198 HG13 ILE 29 2HG1 ILE 29 -1.963 -4.303 -0.809
199 HG21 ILE 29 1HG2 ILE 29 -4.741 -2.092 -0.196
200 HG22 ILE 29 2HG2 ILE 29 -5.239 -3.403 0.872
201 HG23 ILE 29 3HG2 ILE 29 -4.555 -1.926 1.550
202 HD11 ILE 29 3HD1 ILE 29 -2.991 -6.159 0.044
203 HD12 ILE 29 1HD1 ILE 29 -4.553 -5.357 0.205
204 HD13 ILE 29 2HD1 ILE 29 -3.976 -5.854 -1.386
205 H VAL 30 H VAL 30 -1.632 -2.569 3.027
206 HA VAL 30 HA VAL 30 -3.168 -0.727 4.354
207 HB VAL 30 HB VAL 30 -0.424 -1.682 5.182
208 HG11 VAL 30 1HG1 VAL 30 -0.731 -0.777 7.231
209 HG12 VAL 30 2HG1 VAL 30 -1.753 0.348 6.334
210 HG13 VAL 30 3HG1 VAL 30 -2.479 -1.012 7.192
211 HG21 VAL 30 3HG2 VAL 30 -1.374 -3.580 6.034
212 HG22 VAL 30 1HG2 VAL 30 -2.951 -2.823 6.257
213 HG23 VAL 30 2HG2 VAL 30 -2.430 -3.316 4.646
214 H HIS 31 H HIS 31 0.004 -0.257 2.903
215 HA HIS 31 HA HIS 31 0.389 2.367 3.973
216 HB2 HIS 31 1HB HIS 31 2.335 1.101 3.360
217 HB3 HIS 31 2HB HIS 31 1.737 0.872 1.720
218 HD1 HIS 31 HD1 HIS 31 2.700 3.804 3.953
219 HD2 HIS 31 HD2 HIS 31 2.819 2.621 -0.028
220 HE1 HIS 31 HE1 HIS 31 3.901 5.650 2.739
221 H GLN 32 H GLN 32 -0.841 1.054 0.939
222 HA GLN 32 HA GLN 32 -1.004 3.451 -0.503
223 HB2 GLN 32 1HB GLN 32 -2.642 0.921 -0.665
224 HB3 GLN 32 2HB GLN 32 -2.800 2.247 -1.810
225 HG2 GLN 32 1HG GLN 32 -0.267 1.958 -2.161
226 HG3 GLN 32 2HG GLN 32 -0.494 0.391 -1.386
227 HE21 GLN 32 1HE2 GLN 32 0.181 1.292 -4.188
228 HE22 GLN 32 2HE2 GLN 32 -0.921 0.419 -5.190
229 H ARG 33 H ARG 33 -3.007 2.135 2.010
230 HA ARG 33 HA ARG 33 -5.397 3.483 1.586
231 HB2 ARG 33 1HB ARG 33 -4.085 2.862 4.239
232 HB3 ARG 33 2HB ARG 33 -5.786 3.234 3.996
233 HG2 ARG 33 1HG ARG 33 -5.740 1.197 2.392
234 HG3 ARG 33 2HG ARG 33 -4.267 0.772 3.265
235 HD2 ARG 33 1HD ARG 33 -6.021 -0.352 4.372
236 HD3 ARG 33 2HD ARG 33 -5.613 1.027 5.391
237 HE ARG 33 HE ARG 33 -7.660 1.841 3.705
238 HH11 ARG 33 1HH1 ARG 33 -7.162 -0.503 6.231
239 HH12 ARG 33 2HH1 ARG 33 -8.813 -0.481 6.757
240 HH21 ARG 33 1HH2 ARG 33 -9.837 1.878 4.388
241 HH22 ARG 33 2HH2 ARG 33 -10.333 0.873 5.707
242 H THR 34 H THR 34 -2.406 4.598 3.076
243 HA THR 34 HA THR 34 -3.395 7.044 4.081
244 HB THR 34 HB THR 34 -1.094 7.737 4.308
245 HG1 THR 34 HG1 THR 34 -0.128 5.448 3.002
246 HG21 THR 34 3HG2 THR 34 -0.136 5.725 5.459
247 HG22 THR 34 1HG2 THR 34 -1.501 4.795 4.841
248 HG23 THR 34 2HG2 THR 34 -1.778 6.137 5.952
249 H HIS 35 H HIS 35 -1.980 6.131 0.978
250 HA HIS 35 HA HIS 35 -1.776 8.747 -0.077
251 HB2 HIS 35 1HB HIS 35 -1.717 5.986 -1.203
252 HB3 HIS 35 2HB HIS 35 -1.962 7.328 -2.318
253 HD1 HIS 35 HD1 HIS 35 -0.025 9.267 -2.113
254 HD2 HIS 35 HD2 HIS 35 0.887 5.486 -0.651
255 HE1 HIS 35 HE1 HIS 35 2.485 9.191 -1.963
256 H SER 36 H SER 36 -4.342 6.333 -0.113
257 HA SER 36 HA SER 36 -6.061 7.328 -1.994
258 HB2 SER 36 1HB SER 36 -6.276 5.319 -0.290
259 HB3 SER 36 2HB SER 36 -7.222 6.487 0.631
260 HG SER 36 HG SER 36 -8.351 5.097 -0.982
261 H GLY 37 H GLY 37 -7.726 8.846 -2.045
262 HA2 GLY 37 1HA GLY 37 -8.783 10.828 -1.573
263 HA3 GLY 37 2HA GLY 37 -8.490 10.476 0.123
264 H GLU 38 H GLU 38 -6.103 10.969 -2.443
265 HA GLU 38 HA GLU 38 -5.408 13.582 -1.363
266 HB2 GLU 38 1HB GLU 38 -4.100 11.960 -0.025
267 HB3 GLU 38 2HB GLU 38 -3.390 11.335 -1.507
268 HG2 GLU 38 1HG GLU 38 -2.303 13.432 -1.936
269 HG3 GLU 38 2HG GLU 38 -3.119 14.179 -0.563
270 H SER 39 H SER 39 -4.779 14.944 -2.920
271 HA SER 39 HA SER 39 -4.902 14.202 -5.633
272 HB2 SER 39 1HB SER 39 -3.639 16.688 -4.451
273 HB3 SER 39 2HB SER 39 -4.192 16.483 -6.113
274 HG SER 39 HG SER 39 -5.963 16.109 -3.954
275 H GLY 40 H GLY 40 -3.473 12.981 -6.669
276 HA2 GLY 40 1HA GLY 40 -0.630 13.637 -6.435
277 HA3 GLY 40 2HA GLY 40 -1.114 11.987 -6.070
278 HA PRO 41 HA PRO 41 -0.553 11.030 -10.320
279 HB2 PRO 41 1HB PRO 41 -2.086 8.795 -10.471
280 HB3 PRO 41 2HB PRO 41 -0.512 8.828 -9.667
281 HG2 PRO 41 1HG PRO 41 -3.253 8.995 -8.475
282 HG3 PRO 41 2HG PRO 41 -1.846 8.071 -7.919
283 HD2 PRO 41 1HD PRO 41 -2.573 10.429 -6.805
284 HD3 PRO 41 2HD PRO 41 -0.880 9.906 -6.914
285 H SER 42 H SER 42 -1.624 11.041 -12.331
286 HA SER 42 HA SER 42 -3.745 12.796 -12.619
287 HB2 SER 42 1HB SER 42 -2.122 12.041 -14.411
288 HB3 SER 42 2HB SER 42 -3.103 10.585 -14.578
289 HG SER 42 HG SER 42 -4.417 13.040 -14.676
290 H SER 43 H SER 43 -5.832 12.634 -12.179
291 HA SER 43 HA SER 43 -7.428 10.405 -12.870
292 HB2 SER 43 1HB SER 43 -7.957 9.467 -10.746
293 HB3 SER 43 2HB SER 43 -6.197 9.542 -10.815
294 HG SER 43 HG SER 43 -6.801 10.360 -8.851
295 H GLY 44 H GLY 44 -9.404 11.173 -13.240
296 HA2 GLY 44 1HA GLY 44 -10.155 13.807 -12.902
297 HA3 GLY 44 2HA GLY 44 -11.289 12.481 -13.116
Start of MODEL 11
1 H1 GLY 1 H GLY 1 20.766 14.048 -11.884
2 HA2 GLY 1 1HA GLY 1 23.244 14.341 -11.951
3 HA3 GLY 1 2HA GLY 1 22.634 14.223 -10.307
4 H SER 2 H SER 2 24.315 13.254 -9.300
5 HA SER 2 HA SER 2 24.896 10.498 -10.097
6 HB2 SER 2 1HB SER 2 27.335 10.903 -9.641
7 HB3 SER 2 2HB SER 2 26.723 11.721 -11.078
8 HG SER 2 HG SER 2 27.928 12.797 -8.986
9 H SER 3 H SER 3 25.162 9.113 -8.421
10 HA SER 3 HA SER 3 25.583 10.165 -5.732
11 HB2 SER 3 1HB SER 3 23.651 9.055 -4.797
12 HB3 SER 3 2HB SER 3 23.109 10.096 -6.113
13 HG SER 3 HG SER 3 23.698 7.367 -6.532
14 H GLY 4 H GLY 4 25.700 8.253 -4.128
15 HA2 GLY 4 1HA GLY 4 26.945 5.928 -5.452
16 HA3 GLY 4 2HA GLY 4 27.748 6.744 -4.119
17 H SER 5 H SER 5 26.328 6.945 -2.095
18 HA SER 5 HA SER 5 25.802 4.413 -1.095
19 HB2 SER 5 1HB SER 5 25.006 7.170 -0.208
20 HB3 SER 5 2HB SER 5 24.406 5.754 0.656
21 HG SER 5 HG SER 5 27.150 5.998 0.103
22 H SER 6 H SER 6 23.528 6.816 -2.378
23 HA SER 6 HA SER 6 21.104 5.768 -1.870
24 HB2 SER 6 1HB SER 6 21.399 7.765 -3.247
25 HB3 SER 6 2HB SER 6 22.032 6.783 -4.569
26 HG SER 6 HG SER 6 19.542 6.067 -3.568
27 H GLY 7 H GLY 7 19.765 4.147 -2.616
28 HA2 GLY 7 1HA GLY 7 20.692 2.334 -4.686
29 HA3 GLY 7 2HA GLY 7 20.637 1.652 -3.067
30 H THR 8 H THR 8 19.008 0.200 -3.364
31 HA THR 8 HA THR 8 16.329 1.280 -3.454
32 HB THR 8 HB THR 8 16.835 0.982 -5.852
33 HG1 THR 8 HG1 THR 8 14.990 -0.965 -4.884
34 HG21 THR 8 3HG2 THR 8 16.784 -1.956 -5.688
35 HG22 THR 8 1HG2 THR 8 18.268 -1.201 -5.108
36 HG23 THR 8 2HG2 THR 8 17.707 -0.896 -6.752
37 H ARG 9 H ARG 9 14.681 -0.410 -3.049
38 HA ARG 9 HA ARG 9 15.743 -2.374 -1.171
39 HB2 ARG 9 1HB ARG 9 13.076 -1.105 -1.624
40 HB3 ARG 9 2HB ARG 9 13.141 -2.668 -0.820
41 HG2 ARG 9 1HG ARG 9 14.673 -1.706 0.857
42 HG3 ARG 9 2HG ARG 9 14.496 -0.134 0.075
43 HD2 ARG 9 1HD ARG 9 12.103 -1.677 1.008
44 HD3 ARG 9 2HD ARG 9 13.028 -0.675 2.126
45 HE ARG 9 HE ARG 9 11.197 0.224 0.134
46 HH11 ARG 9 1HH1 ARG 9 14.118 1.060 1.833
47 HH12 ARG 9 2HH1 ARG 9 13.895 2.768 1.641
48 HH21 ARG 9 1HH2 ARG 9 10.893 2.469 -0.125
49 HH22 ARG 9 2HH2 ARG 9 12.060 3.568 0.528
50 H GLU 10 H GLU 10 15.235 -4.579 -1.249
51 HA GLU 10 HA GLU 10 14.911 -5.616 -3.925
52 HB2 GLU 10 1HB GLU 10 16.494 -6.480 -2.051
53 HB3 GLU 10 2HB GLU 10 15.066 -7.313 -1.454
54 HG2 GLU 10 1HG GLU 10 16.216 -8.866 -2.786
55 HG3 GLU 10 2HG GLU 10 14.841 -8.327 -3.749
56 H LYS 11 H LYS 11 12.976 -5.191 -1.090
57 HA LYS 11 HA LYS 11 11.047 -7.026 -1.061
58 HB2 LYS 11 1HB LYS 11 10.953 -4.069 -0.801
59 HB3 LYS 11 2HB LYS 11 9.411 -4.900 -0.963
60 HG2 LYS 11 1HG LYS 11 9.652 -4.860 1.310
61 HG3 LYS 11 2HG LYS 11 10.370 -6.427 0.929
62 HD2 LYS 11 1HD LYS 11 12.130 -4.024 0.972
63 HD3 LYS 11 2HD LYS 11 11.594 -4.706 2.509
64 HE2 LYS 11 1HE LYS 11 12.655 -6.747 2.105
65 HE3 LYS 11 2HE LYS 11 12.788 -6.441 0.375
66 HZ1 LYS 11 3HZ LYS 11 14.862 -6.196 1.857
67 HZ2 LYS 11 1HZ LYS 11 14.194 -4.704 2.293
68 HZ3 LYS 11 2HZ LYS 11 14.564 -5.024 0.674
69 HA PRO 12 HA PRO 12 9.441 -7.404 -5.166
70 HB2 PRO 12 1HB PRO 12 7.282 -8.931 -4.553
71 HB3 PRO 12 2HB PRO 12 8.930 -9.569 -4.591
72 HG2 PRO 12 1HG PRO 12 7.290 -8.697 -2.244
73 HG3 PRO 12 2HG PRO 12 8.331 -10.123 -2.413
74 HD2 PRO 12 1HD PRO 12 9.124 -7.887 -1.108
75 HD3 PRO 12 2HD PRO 12 10.255 -8.922 -2.003
76 H TYR 13 H TYR 13 7.023 -6.856 -2.594
77 HA TYR 13 HA TYR 13 5.198 -5.545 -4.353
78 HB2 TYR 13 1HB TYR 13 5.299 -5.617 -1.330
79 HB3 TYR 13 2HB TYR 13 3.949 -5.011 -2.283
80 HD1 TYR 13 HD2 TYR 13 2.606 -6.582 -3.658
81 HD2 TYR 13 HD1 TYR 13 5.626 -7.956 -0.995
82 HE1 TYR 13 HE2 TYR 13 1.650 -8.846 -3.752
83 HE2 TYR 13 HE1 TYR 13 4.679 -10.224 -1.082
84 HH TYR 13 HH TYR 13 1.648 -10.908 -2.227
85 H GLU 14 H GLU 14 5.192 -3.501 -5.002
86 HA GLU 14 HA GLU 14 6.620 -1.498 -3.386
87 HB2 GLU 14 1HB GLU 14 6.965 -2.199 -6.246
88 HB3 GLU 14 2HB GLU 14 6.959 -0.485 -5.857
89 HG2 GLU 14 1HG GLU 14 8.924 -0.585 -4.729
90 HG3 GLU 14 2HG GLU 14 8.666 -2.247 -4.201
91 H CYS 15 H CYS 15 5.792 0.612 -3.445
92 HA CYS 15 HA CYS 15 2.958 0.756 -3.838
93 HB2 CYS 15 1HB CYS 15 4.124 1.921 -1.982
94 HB3 CYS 15 2HB CYS 15 4.908 2.967 -3.161
95 H SER 16 H SER 16 1.863 1.483 -5.545
96 HA SER 16 HA SER 16 3.340 2.343 -7.888
97 HB2 SER 16 1HB SER 16 1.275 2.050 -9.094
98 HB3 SER 16 2HB SER 16 1.466 0.674 -8.008
99 HG SER 16 HG SER 16 -0.420 1.208 -7.276
100 H GLU 17 H GLU 17 3.115 4.103 -5.524
101 HA GLU 17 HA GLU 17 1.939 6.427 -6.892
102 HB2 GLU 17 1HB GLU 17 1.860 6.061 -3.900
103 HB3 GLU 17 2HB GLU 17 1.022 7.270 -4.864
104 HG2 GLU 17 1HG GLU 17 -0.063 5.117 -5.952
105 HG3 GLU 17 2HG GLU 17 0.354 4.423 -4.387
106 H CYS 18 H CYS 18 4.210 5.298 -4.416
107 HA CYS 18 HA CYS 18 5.854 7.686 -4.951
108 HB2 CYS 18 1HB CYS 18 6.756 7.421 -2.662
109 HB3 CYS 18 2HB CYS 18 5.019 7.709 -2.666
110 H GLY 19 H GLY 19 5.857 4.213 -4.330
111 HA2 GLY 19 1HA GLY 19 7.358 2.894 -5.773
112 HA3 GLY 19 2HA GLY 19 8.585 4.112 -5.462
113 H LYS 20 H LYS 20 6.716 3.454 -2.729
114 HA LYS 20 HA LYS 20 8.815 2.574 -1.158
115 HB2 LYS 20 1HB LYS 20 6.428 3.385 -0.513
116 HB3 LYS 20 2HB LYS 20 6.001 1.682 -0.610
117 HG2 LYS 20 1HG LYS 20 7.186 1.133 1.252
118 HG3 LYS 20 2HG LYS 20 8.373 2.418 1.012
119 HD2 LYS 20 1HD LYS 20 6.686 4.077 1.687
120 HD3 LYS 20 2HD LYS 20 5.530 2.772 1.966
121 HE2 LYS 20 1HE LYS 20 6.410 3.277 4.085
122 HE3 LYS 20 2HE LYS 20 7.246 1.810 3.579
123 HZ1 LYS 20 3HZ LYS 20 8.384 4.516 3.181
124 HZ2 LYS 20 1HZ LYS 20 9.178 3.026 3.067
125 HZ3 LYS 20 2HZ LYS 20 8.672 3.601 4.575
126 H ALA 21 H ALA 21 8.499 0.348 0.135
127 HA ALA 21 HA ALA 21 8.072 -1.839 -1.767
128 HB1 ALA 21 3HB ALA 21 10.602 -0.926 -1.257
129 HB2 ALA 21 1HB ALA 21 10.436 -2.252 -0.106
130 HB3 ALA 21 2HB ALA 21 10.193 -2.543 -1.828
131 H PHE 22 H PHE 22 7.763 -3.907 -0.773
132 HA PHE 22 HA PHE 22 7.525 -4.031 2.112
133 HB2 PHE 22 1HB PHE 22 5.099 -4.488 0.364
134 HB3 PHE 22 2HB PHE 22 5.174 -4.664 2.115
135 HD1 PHE 22 HD1 PHE 22 5.365 -2.221 -0.649
136 HD2 PHE 22 HD2 PHE 22 4.892 -2.813 3.539
137 HE1 PHE 22 HE1 PHE 22 4.727 0.141 -0.391
138 HE2 PHE 22 HE2 PHE 22 4.252 -0.452 3.804
139 HZ PHE 22 HZ PHE 22 4.169 1.028 1.838
140 H ILE 23 H ILE 23 6.682 -6.269 2.769
141 HA ILE 23 HA ILE 23 8.117 -8.230 1.155
142 HB ILE 23 HB ILE 23 6.879 -8.592 3.885
143 HG12 ILE 23 1HG1 ILE 23 8.684 -6.825 3.741
144 HG13 ILE 23 2HG1 ILE 23 9.023 -8.159 4.839
145 HG21 ILE 23 1HG2 ILE 23 8.945 -10.230 2.422
146 HG22 ILE 23 2HG2 ILE 23 8.308 -10.551 4.034
147 HG23 ILE 23 3HG2 ILE 23 7.249 -10.667 2.628
148 HD11 ILE 23 3HD1 ILE 23 10.037 -8.162 2.023
149 HD12 ILE 23 1HD1 ILE 23 10.901 -7.337 3.320
150 HD13 ILE 23 2HD1 ILE 23 10.619 -9.076 3.414
151 H ARG 24 H ARG 24 4.900 -7.703 2.545
152 HA ARG 24 HA ARG 24 3.858 -9.726 0.673
153 HB2 ARG 24 1HB ARG 24 2.754 -9.100 3.416
154 HB3 ARG 24 2HB ARG 24 2.161 -10.326 2.304
155 HG2 ARG 24 1HG ARG 24 4.972 -10.384 3.341
156 HG3 ARG 24 2HG ARG 24 3.630 -11.077 4.254
157 HD2 ARG 24 1HD ARG 24 4.409 -11.821 1.436
158 HD3 ARG 24 2HD ARG 24 4.784 -12.757 2.882
159 HE ARG 24 HE ARG 24 1.974 -12.216 2.424
160 HH11 ARG 24 1HH1 ARG 24 4.637 -14.423 2.025
161 HH12 ARG 24 2HH1 ARG 24 3.623 -15.810 1.799
162 HH21 ARG 24 1HH2 ARG 24 0.629 -14.035 2.127
163 HH22 ARG 24 2HH2 ARG 24 1.344 -15.588 1.856
164 H ASN 25 H ASN 25 1.999 -9.234 -0.436
165 HA ASN 25 HA ASN 25 1.451 -6.677 -1.194
166 HB2 ASN 25 1HB ASN 25 0.502 -9.011 -2.003
167 HB3 ASN 25 2HB ASN 25 -0.866 -8.554 -0.992
168 HD21 ASN 25 1HD2 ASN 25 -0.681 -5.754 -1.437
169 HD22 ASN 25 2HD2 ASN 25 -1.180 -5.454 -3.064
170 H SER 26 H SER 26 -0.261 -8.485 1.349
171 HA SER 26 HA SER 26 -2.157 -6.681 2.111
172 HB2 SER 26 1HB SER 26 -2.105 -8.787 3.215
173 HB3 SER 26 2HB SER 26 -0.464 -8.521 3.803
174 HG SER 26 HG SER 26 -2.446 -8.136 5.239
175 H GLN 27 H GLN 27 1.268 -6.650 2.984
176 HA GLN 27 HA GLN 27 1.160 -4.512 4.807
177 HB2 GLN 27 1HB GLN 27 3.485 -5.233 3.019
178 HB3 GLN 27 2HB GLN 27 3.554 -4.371 4.551
179 HG2 GLN 27 1HG GLN 27 2.386 -6.612 5.395
180 HG3 GLN 27 2HG GLN 27 3.257 -7.260 4.006
181 HE21 GLN 27 1HE2 GLN 27 5.510 -5.651 4.060
182 HE22 GLN 27 2HE2 GLN 27 6.428 -6.016 5.477
183 H LEU 28 H LEU 28 1.845 -4.571 1.322
184 HA LEU 28 HA LEU 28 2.325 -1.828 1.010
185 HB2 LEU 28 1HB LEU 28 2.970 -3.230 -0.754
186 HB3 LEU 28 2HB LEU 28 1.376 -3.974 -0.858
187 HG LEU 28 HG LEU 28 0.473 -1.912 -1.815
188 HD11 LEU 28 1HD1 LEU 28 2.079 -0.389 -0.664
189 HD12 LEU 28 2HD1 LEU 28 1.854 -0.049 -2.380
190 HD13 LEU 28 3HD1 LEU 28 3.305 -0.887 -1.830
191 HD21 LEU 28 3HD2 LEU 28 2.210 -1.937 -3.863
192 HD22 LEU 28 1HD2 LEU 28 1.011 -3.202 -3.589
193 HD23 LEU 28 2HD2 LEU 28 2.676 -3.436 -3.056
194 H ILE 29 H ILE 29 -0.665 -3.673 0.403
195 HA ILE 29 HA ILE 29 -2.363 -1.697 -0.376
196 HB ILE 29 HB ILE 29 -3.033 -3.904 1.575
197 HG12 ILE 29 1HG1 ILE 29 -3.439 -3.880 -1.415
198 HG13 ILE 29 2HG1 ILE 29 -1.988 -4.534 -0.664
199 HG21 ILE 29 1HG2 ILE 29 -5.027 -2.778 -0.313
200 HG22 ILE 29 2HG2 ILE 29 -5.252 -3.473 1.292
201 HG23 ILE 29 3HG2 ILE 29 -4.624 -1.834 1.121
202 HD11 ILE 29 3HD1 ILE 29 -3.943 -5.809 0.726
203 HD12 ILE 29 1HD1 ILE 29 -4.673 -5.661 -0.873
204 HD13 ILE 29 2HD1 ILE 29 -3.111 -6.460 -0.686
205 H VAL 30 H VAL 30 -1.757 -2.613 3.018
206 HA VAL 30 HA VAL 30 -3.340 -0.752 4.283
207 HB VAL 30 HB VAL 30 -0.618 -1.720 5.169
208 HG11 VAL 30 1HG1 VAL 30 -1.033 -0.902 7.290
209 HG12 VAL 30 2HG1 VAL 30 -1.690 0.379 6.270
210 HG13 VAL 30 3HG1 VAL 30 -2.772 -0.793 7.022
211 HG21 VAL 30 3HG2 VAL 30 -3.236 -2.973 5.028
212 HG22 VAL 30 1HG2 VAL 30 -1.652 -3.692 5.316
213 HG23 VAL 30 2HG2 VAL 30 -2.562 -2.998 6.658
214 H HIS 31 H HIS 31 -0.072 -0.333 3.001
215 HA HIS 31 HA HIS 31 0.325 2.286 4.001
216 HB2 HIS 31 1HB HIS 31 2.247 1.038 3.335
217 HB3 HIS 31 2HB HIS 31 1.594 0.766 1.722
218 HD1 HIS 31 HD1 HIS 31 2.828 3.649 3.865
219 HD2 HIS 31 HD2 HIS 31 2.422 2.574 -0.127
220 HE1 HIS 31 HE1 HIS 31 3.940 5.487 2.558
221 H GLN 32 H GLN 32 -0.960 1.033 0.957
222 HA GLN 32 HA GLN 32 -1.124 3.411 -0.476
223 HB2 GLN 32 1HB GLN 32 -2.919 0.983 -0.522
224 HB3 GLN 32 2HB GLN 32 -3.020 2.291 -1.693
225 HG2 GLN 32 1HG GLN 32 -0.471 1.781 -2.015
226 HG3 GLN 32 2HG GLN 32 -0.920 0.215 -1.343
227 HE21 GLN 32 1HE2 GLN 32 -0.004 0.984 -4.035
228 HE22 GLN 32 2HE2 GLN 32 -1.219 0.407 -5.119
229 H ARG 33 H ARG 33 -3.157 2.161 2.076
230 HA ARG 33 HA ARG 33 -5.461 3.640 1.771
231 HB2 ARG 33 1HB ARG 33 -4.039 2.974 4.355
232 HB3 ARG 33 2HB ARG 33 -5.718 3.479 4.222
233 HG2 ARG 33 1HG ARG 33 -6.025 1.448 2.705
234 HG3 ARG 33 2HG ARG 33 -4.460 0.914 3.321
235 HD2 ARG 33 1HD ARG 33 -6.851 1.596 5.028
236 HD3 ARG 33 2HD ARG 33 -6.375 -0.038 4.566
237 HE ARG 33 HE ARG 33 -4.145 0.902 5.735
238 HH11 ARG 33 1HH1 ARG 33 -7.482 0.888 6.726
239 HH12 ARG 33 2HH1 ARG 33 -7.115 0.813 8.417
240 HH21 ARG 33 1HH2 ARG 33 -3.649 0.803 7.959
241 HH22 ARG 33 2HH2 ARG 33 -4.934 0.766 9.118
242 H THR 34 H THR 34 -2.369 4.644 3.137
243 HA THR 34 HA THR 34 -3.195 7.148 4.127
244 HB THR 34 HB THR 34 -0.861 7.743 4.230
245 HG1 THR 34 HG1 THR 34 0.706 6.529 3.147
246 HG21 THR 34 3HG2 THR 34 0.078 5.701 5.344
247 HG22 THR 34 1HG2 THR 34 -1.355 4.824 4.810
248 HG23 THR 34 2HG2 THR 34 -1.516 6.183 5.922
249 H HIS 35 H HIS 35 -2.009 6.122 0.967
250 HA HIS 35 HA HIS 35 -1.706 8.690 -0.156
251 HB2 HIS 35 1HB HIS 35 -1.924 5.916 -1.210
252 HB3 HIS 35 2HB HIS 35 -2.205 7.235 -2.343
253 HD1 HIS 35 HD1 HIS 35 -0.149 9.114 -2.270
254 HD2 HIS 35 HD2 HIS 35 0.682 5.242 -1.014
255 HE1 HIS 35 HE1 HIS 35 2.353 8.892 -2.389
256 H SER 36 H SER 36 -4.443 6.462 -0.022
257 HA SER 36 HA SER 36 -6.241 7.474 -1.750
258 HB2 SER 36 1HB SER 36 -6.711 5.631 -0.158
259 HB3 SER 36 2HB SER 36 -6.886 6.817 1.135
260 HG SER 36 HG SER 36 -8.785 7.385 0.376
261 H GLY 37 H GLY 37 -5.980 8.717 1.591
262 HA2 GLY 37 1HA GLY 37 -7.483 11.084 0.883
263 HA3 GLY 37 2HA GLY 37 -6.819 10.700 2.464
264 H GLU 38 H GLU 38 -6.131 12.902 2.617
265 HA GLU 38 HA GLU 38 -4.740 14.694 2.274
266 HB2 GLU 38 1HB GLU 38 -2.902 12.307 2.201
267 HB3 GLU 38 2HB GLU 38 -2.293 13.956 2.175
268 HG2 GLU 38 1HG GLU 38 -2.383 12.783 4.421
269 HG3 GLU 38 2HG GLU 38 -3.071 14.404 4.330
270 H SER 39 H SER 39 -6.066 14.089 -0.075
271 HA SER 39 HA SER 39 -3.984 14.536 -2.114
272 HB2 SER 39 1HB SER 39 -5.295 12.386 -2.329
273 HB3 SER 39 2HB SER 39 -6.729 13.371 -2.618
274 HG SER 39 HG SER 39 -5.470 12.606 -4.516
275 H GLY 40 H GLY 40 -7.397 15.223 -1.343
276 HA2 GLY 40 1HA GLY 40 -8.120 17.543 -1.219
277 HA3 GLY 40 2HA GLY 40 -7.004 17.897 -2.530
278 HA PRO 41 HA PRO 41 -11.058 17.634 -4.583
279 HB2 PRO 41 1HB PRO 41 -10.380 19.330 -6.592
280 HB3 PRO 41 2HB PRO 41 -10.933 19.889 -5.009
281 HG2 PRO 41 1HG PRO 41 -8.143 19.666 -6.070
282 HG3 PRO 41 2HG PRO 41 -8.880 20.975 -5.127
283 HD2 PRO 41 1HD PRO 41 -7.274 19.101 -4.012
284 HD3 PRO 41 2HD PRO 41 -8.620 19.852 -3.131
285 H SER 42 H SER 42 -11.575 17.159 -6.926
286 HA SER 42 HA SER 42 -9.508 15.972 -8.533
287 HB2 SER 42 1HB SER 42 -10.417 13.693 -8.520
288 HB3 SER 42 2HB SER 42 -9.904 14.167 -6.901
289 HG SER 42 HG SER 42 -12.469 13.740 -7.910
290 H SER 43 H SER 43 -10.035 16.575 -10.516
291 HA SER 43 HA SER 43 -12.728 17.309 -11.202
292 HB2 SER 43 1HB SER 43 -10.596 18.445 -12.036
293 HB3 SER 43 2HB SER 43 -10.408 17.064 -13.118
294 HG SER 43 HG SER 43 -11.804 17.975 -14.377
295 H GLY 44 H GLY 44 -14.103 16.317 -12.660
296 HA2 GLY 44 1HA GLY 44 -14.514 14.646 -14.370
297 HA3 GLY 44 2HA GLY 44 -13.296 13.639 -13.600
Start of MODEL 12
1 H1 GLY 1 H GLY 1 23.540 4.441 -25.875
2 HA2 GLY 1 1HA GLY 1 21.889 5.793 -24.439
3 HA3 GLY 1 2HA GLY 1 22.108 4.107 -23.995
4 H SER 2 H SER 2 22.350 3.821 -21.892
5 HA SER 2 HA SER 2 24.284 5.262 -20.372
6 HB2 SER 2 1HB SER 2 22.632 7.002 -20.281
7 HB3 SER 2 2HB SER 2 21.356 5.848 -19.893
8 HG SER 2 HG SER 2 23.540 6.633 -18.267
9 H SER 3 H SER 3 24.944 4.063 -18.683
10 HA SER 3 HA SER 3 24.225 1.415 -18.388
11 HB2 SER 3 1HB SER 3 26.305 2.528 -17.492
12 HB3 SER 3 2HB SER 3 25.326 3.133 -16.156
13 HG SER 3 HG SER 3 24.757 0.677 -16.103
14 H GLY 4 H GLY 4 22.953 0.260 -16.929
15 HA2 GLY 4 1HA GLY 4 20.441 1.304 -16.323
16 HA3 GLY 4 2HA GLY 4 21.117 -0.158 -15.618
17 H SER 5 H SER 5 19.417 1.782 -14.332
18 HA SER 5 HA SER 5 21.268 2.822 -12.288
19 HB2 SER 5 1HB SER 5 19.951 4.547 -13.560
20 HB3 SER 5 2HB SER 5 18.483 3.845 -12.880
21 HG SER 5 HG SER 5 19.424 4.281 -10.784
22 H SER 6 H SER 6 21.230 0.769 -11.222
23 HA SER 6 HA SER 6 18.847 -0.459 -10.318
24 HB2 SER 6 1HB SER 6 20.395 -1.678 -8.740
25 HB3 SER 6 2HB SER 6 20.842 -1.785 -10.443
26 HG SER 6 HG SER 6 22.677 -1.289 -9.288
27 H GLY 7 H GLY 7 17.809 -0.398 -8.339
28 HA2 GLY 7 1HA GLY 7 18.485 1.939 -6.667
29 HA3 GLY 7 2HA GLY 7 16.860 1.305 -6.879
30 H THR 8 H THR 8 16.486 1.020 -4.690
31 HA THR 8 HA THR 8 17.971 -1.213 -3.477
32 HB THR 8 HB THR 8 16.957 1.172 -1.924
33 HG1 THR 8 HG1 THR 8 19.367 1.476 -1.730
34 HG21 THR 8 3HG2 THR 8 17.365 -0.067 -0.120
35 HG22 THR 8 1HG2 THR 8 19.035 -0.294 -0.638
36 HG23 THR 8 2HG2 THR 8 17.790 -1.430 -1.156
37 H ARG 9 H ARG 9 15.621 -1.551 -4.901
38 HA ARG 9 HA ARG 9 13.582 -1.921 -2.811
39 HB2 ARG 9 1HB ARG 9 13.325 -1.727 -5.815
40 HB3 ARG 9 2HB ARG 9 11.999 -2.176 -4.751
41 HG2 ARG 9 1HG ARG 9 11.927 -0.048 -3.763
42 HG3 ARG 9 2HG ARG 9 13.504 0.397 -4.417
43 HD2 ARG 9 1HD ARG 9 11.267 -0.289 -6.274
44 HD3 ARG 9 2HD ARG 9 11.316 1.303 -5.518
45 HE ARG 9 HE ARG 9 13.784 0.538 -6.780
46 HH11 ARG 9 1HH1 ARG 9 10.663 2.010 -7.239
47 HH12 ARG 9 2HH1 ARG 9 11.154 2.927 -8.625
48 HH21 ARG 9 1HH2 ARG 9 14.443 1.740 -8.603
49 HH22 ARG 9 2HH2 ARG 9 13.304 2.772 -9.400
50 H GLU 10 H GLU 10 14.746 -3.835 -2.088
51 HA GLU 10 HA GLU 10 15.073 -6.086 -3.806
52 HB2 GLU 10 1HB GLU 10 16.193 -5.466 -1.487
53 HB3 GLU 10 2HB GLU 10 14.854 -6.408 -0.847
54 HG2 GLU 10 1HG GLU 10 15.542 -8.327 -2.159
55 HG3 GLU 10 2HG GLU 10 16.851 -7.388 -2.875
56 H LYS 11 H LYS 11 12.549 -4.966 -1.653
57 HA LYS 11 HA LYS 11 11.049 -7.365 -1.565
58 HB2 LYS 11 1HB LYS 11 10.555 -4.507 -0.903
59 HB3 LYS 11 2HB LYS 11 9.147 -5.535 -1.135
60 HG2 LYS 11 1HG LYS 11 9.464 -5.775 1.108
61 HG3 LYS 11 2HG LYS 11 10.435 -7.124 0.512
62 HD2 LYS 11 1HD LYS 11 11.745 -4.471 0.844
63 HD3 LYS 11 2HD LYS 11 11.386 -5.416 2.290
64 HE2 LYS 11 1HE LYS 11 12.741 -6.732 -0.019
65 HE3 LYS 11 2HE LYS 11 13.678 -5.686 1.047
66 HZ1 LYS 11 3HZ LYS 11 13.689 -8.071 1.680
67 HZ2 LYS 11 1HZ LYS 11 12.032 -7.961 2.004
68 HZ3 LYS 11 2HZ LYS 11 13.132 -7.045 2.904
69 HA PRO 12 HA PRO 12 9.212 -7.448 -5.566
70 HB2 PRO 12 1HB PRO 12 7.010 -8.930 -4.998
71 HB3 PRO 12 2HB PRO 12 8.635 -9.620 -5.091
72 HG2 PRO 12 1HG PRO 12 7.055 -8.811 -2.680
73 HG3 PRO 12 2HG PRO 12 8.044 -10.261 -2.935
74 HD2 PRO 12 1HD PRO 12 8.929 -8.120 -1.532
75 HD3 PRO 12 2HD PRO 12 10.013 -9.147 -2.493
76 H TYR 13 H TYR 13 7.034 -6.738 -2.841
77 HA TYR 13 HA TYR 13 5.154 -5.356 -4.528
78 HB2 TYR 13 1HB TYR 13 5.349 -5.599 -1.521
79 HB3 TYR 13 2HB TYR 13 4.024 -4.812 -2.370
80 HD1 TYR 13 HD2 TYR 13 2.555 -6.183 -3.875
81 HD2 TYR 13 HD1 TYR 13 5.420 -7.952 -1.274
82 HE1 TYR 13 HE2 TYR 13 1.399 -8.344 -4.080
83 HE2 TYR 13 HE1 TYR 13 4.272 -10.118 -1.473
84 HH TYR 13 HH TYR 13 1.347 -10.577 -2.336
85 H GLU 14 H GLU 14 5.022 -3.229 -4.931
86 HA GLU 14 HA GLU 14 6.677 -1.386 -3.356
87 HB2 GLU 14 1HB GLU 14 6.855 -1.957 -6.257
88 HB3 GLU 14 2HB GLU 14 6.916 -0.262 -5.795
89 HG2 GLU 14 1HG GLU 14 8.930 -0.464 -4.769
90 HG3 GLU 14 2HG GLU 14 8.654 -2.143 -4.310
91 H CYS 15 H CYS 15 5.902 0.722 -3.203
92 HA CYS 15 HA CYS 15 3.057 0.984 -3.560
93 HB2 CYS 15 1HB CYS 15 4.322 1.857 -1.566
94 HB3 CYS 15 2HB CYS 15 5.013 3.087 -2.619
95 H SER 16 H SER 16 2.046 1.857 -5.239
96 HA SER 16 HA SER 16 3.574 2.989 -7.410
97 HB2 SER 16 1HB SER 16 1.602 2.821 -8.700
98 HB3 SER 16 2HB SER 16 1.549 1.422 -7.627
99 HG SER 16 HG SER 16 -0.316 2.169 -7.035
100 H GLU 17 H GLU 17 3.075 4.371 -4.708
101 HA GLU 17 HA GLU 17 2.016 6.897 -5.794
102 HB2 GLU 17 1HB GLU 17 2.190 6.152 -2.875
103 HB3 GLU 17 2HB GLU 17 1.326 7.508 -3.587
104 HG2 GLU 17 1HG GLU 17 0.578 4.752 -4.412
105 HG3 GLU 17 2HG GLU 17 0.072 5.334 -2.827
106 H CYS 18 H CYS 18 4.453 5.525 -3.606
107 HA CYS 18 HA CYS 18 6.114 7.908 -4.108
108 HB2 CYS 18 1HB CYS 18 7.132 7.520 -1.880
109 HB3 CYS 18 2HB CYS 18 5.410 7.877 -1.785
110 H GLY 19 H GLY 19 6.019 4.416 -3.705
111 HA2 GLY 19 1HA GLY 19 7.443 3.169 -5.297
112 HA3 GLY 19 2HA GLY 19 8.728 4.293 -4.881
113 H LYS 20 H LYS 20 6.965 3.618 -2.142
114 HA LYS 20 HA LYS 20 8.991 2.437 -0.718
115 HB2 LYS 20 1HB LYS 20 6.713 3.354 0.081
116 HB3 LYS 20 2HB LYS 20 6.116 1.723 -0.198
117 HG2 LYS 20 1HG LYS 20 7.269 0.847 1.559
118 HG3 LYS 20 2HG LYS 20 8.564 2.041 1.449
119 HD2 LYS 20 1HD LYS 20 5.837 2.967 2.208
120 HD3 LYS 20 2HD LYS 20 6.798 2.102 3.411
121 HE2 LYS 20 1HE LYS 20 7.388 4.300 3.809
122 HE3 LYS 20 2HE LYS 20 8.672 3.766 2.725
123 HZ1 LYS 20 3HZ LYS 20 7.430 5.995 2.298
124 HZ2 LYS 20 1HZ LYS 20 6.265 4.999 1.582
125 HZ3 LYS 20 2HZ LYS 20 7.852 4.999 0.998
126 H ALA 21 H ALA 21 8.590 0.142 0.394
127 HA ALA 21 HA ALA 21 8.044 -1.843 -1.702
128 HB1 ALA 21 3HB ALA 21 10.148 -2.538 -1.805
129 HB2 ALA 21 1HB ALA 21 10.608 -1.174 -0.787
130 HB3 ALA 21 2HB ALA 21 10.217 -2.729 -0.053
131 H PHE 22 H PHE 22 7.721 -4.035 -0.850
132 HA PHE 22 HA PHE 22 7.245 -4.365 1.968
133 HB2 PHE 22 1HB PHE 22 4.875 -4.523 0.097
134 HB3 PHE 22 2HB PHE 22 4.865 -4.791 1.836
135 HD1 PHE 22 HD1 PHE 22 5.319 -2.236 -0.788
136 HD2 PHE 22 HD2 PHE 22 4.670 -2.996 3.349
137 HE1 PHE 22 HE1 PHE 22 4.835 0.150 -0.430
138 HE2 PHE 22 HE2 PHE 22 4.184 -0.612 3.714
139 HZ PHE 22 HZ PHE 22 4.265 0.964 1.824
140 H ILE 23 H ILE 23 6.873 -6.538 2.564
141 HA ILE 23 HA ILE 23 7.898 -8.439 0.637
142 HB ILE 23 HB ILE 23 7.076 -8.874 3.511
143 HG12 ILE 23 1HG1 ILE 23 9.726 -9.035 3.610
144 HG13 ILE 23 2HG1 ILE 23 9.608 -7.972 2.212
145 HG21 ILE 23 1HG2 ILE 23 7.036 -10.953 2.335
146 HG22 ILE 23 2HG2 ILE 23 8.581 -10.606 1.560
147 HG23 ILE 23 3HG2 ILE 23 8.513 -10.907 3.297
148 HD11 ILE 23 3HD1 ILE 23 8.850 -6.224 3.434
149 HD12 ILE 23 1HD1 ILE 23 8.019 -7.252 4.601
150 HD13 ILE 23 2HD1 ILE 23 9.770 -7.055 4.689
151 H ARG 24 H ARG 24 4.862 -7.655 2.174
152 HA ARG 24 HA ARG 24 3.562 -9.723 0.535
153 HB2 ARG 24 1HB ARG 24 2.757 -8.962 3.348
154 HB3 ARG 24 2HB ARG 24 1.970 -10.159 2.328
155 HG2 ARG 24 1HG ARG 24 4.316 -11.282 2.299
156 HG3 ARG 24 2HG ARG 24 4.588 -10.309 3.746
157 HD2 ARG 24 1HD ARG 24 2.384 -11.272 4.598
158 HD3 ARG 24 2HD ARG 24 2.522 -12.440 3.284
159 HE ARG 24 HE ARG 24 4.130 -13.533 4.483
160 HH11 ARG 24 1HH1 ARG 24 3.744 -10.325 5.777
161 HH12 ARG 24 2HH1 ARG 24 4.788 -10.604 7.132
162 HH21 ARG 24 1HH2 ARG 24 5.507 -13.914 6.261
163 HH22 ARG 24 2HH2 ARG 24 5.791 -12.646 7.405
164 H ASN 25 H ASN 25 1.741 -9.110 -0.526
165 HA ASN 25 HA ASN 25 1.257 -6.520 -1.219
166 HB2 ASN 25 1HB ASN 25 0.216 -8.793 -2.062
167 HB3 ASN 25 2HB ASN 25 -1.102 -8.345 -0.982
168 HD21 ASN 25 1HD2 ASN 25 -0.723 -5.498 -1.390
169 HD22 ASN 25 2HD2 ASN 25 -1.339 -5.148 -2.966
170 H SER 26 H SER 26 -0.587 -8.330 1.240
171 HA SER 26 HA SER 26 -2.316 -6.418 2.108
172 HB2 SER 26 1HB SER 26 -0.909 -8.660 3.476
173 HB3 SER 26 2HB SER 26 -1.767 -7.497 4.487
174 HG SER 26 HG SER 26 -2.753 -9.455 2.874
175 H GLN 27 H GLN 27 1.106 -6.684 2.899
176 HA GLN 27 HA GLN 27 1.168 -4.670 4.877
177 HB2 GLN 27 1HB GLN 27 3.414 -5.515 3.041
178 HB3 GLN 27 2HB GLN 27 3.576 -4.695 4.588
179 HG2 GLN 27 1HG GLN 27 2.163 -7.304 4.531
180 HG3 GLN 27 2HG GLN 27 3.916 -7.297 4.341
181 HE21 GLN 27 1HE2 GLN 27 4.637 -8.020 6.235
182 HE22 GLN 27 2HE2 GLN 27 4.256 -7.336 7.775
183 H LEU 28 H LEU 28 1.867 -4.586 1.394
184 HA LEU 28 HA LEU 28 2.547 -1.864 1.256
185 HB2 LEU 28 1HB LEU 28 3.165 -3.132 -0.589
186 HB3 LEU 28 2HB LEU 28 1.574 -3.877 -0.730
187 HG LEU 28 HG LEU 28 0.672 -1.753 -1.580
188 HD11 LEU 28 1HD1 LEU 28 2.397 -0.345 -0.391
189 HD12 LEU 28 2HD1 LEU 28 2.031 0.118 -2.052
190 HD13 LEU 28 3HD1 LEU 28 3.511 -0.770 -1.691
191 HD21 LEU 28 3HD2 LEU 28 2.348 -1.743 -3.666
192 HD22 LEU 28 1HD2 LEU 28 1.154 -3.012 -3.397
193 HD23 LEU 28 2HD2 LEU 28 2.832 -3.265 -2.916
194 H ILE 29 H ILE 29 -0.527 -3.462 0.402
195 HA ILE 29 HA ILE 29 -2.080 -1.354 -0.281
196 HB ILE 29 HB ILE 29 -2.904 -3.642 1.509
197 HG12 ILE 29 1HG1 ILE 29 -3.375 -3.333 -1.453
198 HG13 ILE 29 2HG1 ILE 29 -1.932 -4.112 -0.813
199 HG21 ILE 29 1HG2 ILE 29 -4.594 -2.041 1.769
200 HG22 ILE 29 2HG2 ILE 29 -4.509 -1.549 0.079
201 HG23 ILE 29 3HG2 ILE 29 -5.194 -3.116 0.507
202 HD11 ILE 29 3HD1 ILE 29 -4.357 -5.311 -1.378
203 HD12 ILE 29 1HD1 ILE 29 -3.021 -6.008 -0.463
204 HD13 ILE 29 2HD1 ILE 29 -4.332 -5.182 0.380
205 H VAL 30 H VAL 30 -1.523 -2.435 3.066
206 HA VAL 30 HA VAL 30 -3.055 -0.584 4.414
207 HB VAL 30 HB VAL 30 -0.356 -1.640 5.270
208 HG11 VAL 30 1HG1 VAL 30 -1.847 0.355 6.449
209 HG12 VAL 30 2HG1 VAL 30 -2.320 -1.091 7.344
210 HG13 VAL 30 3HG1 VAL 30 -0.620 -0.631 7.243
211 HG21 VAL 30 3HG2 VAL 30 -2.430 -3.187 4.652
212 HG22 VAL 30 1HG2 VAL 30 -1.356 -3.548 6.003
213 HG23 VAL 30 2HG2 VAL 30 -2.905 -2.758 6.295
214 H HIS 31 H HIS 31 0.175 -0.198 3.058
215 HA HIS 31 HA HIS 31 0.546 2.432 4.159
216 HB2 HIS 31 1HB HIS 31 2.509 1.102 3.757
217 HB3 HIS 31 2HB HIS 31 2.068 0.867 2.069
218 HD1 HIS 31 HD1 HIS 31 3.274 3.564 4.424
219 HD2 HIS 31 HD2 HIS 31 2.965 2.808 0.350
220 HE1 HIS 31 HE1 HIS 31 4.534 5.426 3.297
221 H GLN 32 H GLN 32 -0.980 1.112 1.390
222 HA GLN 32 HA GLN 32 -0.836 3.567 -0.150
223 HB2 GLN 32 1HB GLN 32 -2.252 0.946 -0.652
224 HB3 GLN 32 2HB GLN 32 -2.284 2.311 -1.761
225 HG2 GLN 32 1HG GLN 32 0.224 2.172 -1.832
226 HG3 GLN 32 2HG GLN 32 0.085 0.651 -0.951
227 HE21 GLN 32 1HE2 GLN 32 0.570 1.842 -3.896
228 HE22 GLN 32 2HE2 GLN 32 -0.139 0.603 -4.868
229 H ARG 33 H ARG 33 -2.917 2.077 2.141
230 HA ARG 33 HA ARG 33 -5.409 3.089 1.471
231 HB2 ARG 33 1HB ARG 33 -4.188 2.660 4.202
232 HB3 ARG 33 2HB ARG 33 -5.892 2.994 3.925
233 HG2 ARG 33 1HG ARG 33 -5.757 0.921 2.352
234 HG3 ARG 33 2HG ARG 33 -4.316 0.543 3.299
235 HD2 ARG 33 1HD ARG 33 -5.991 -0.570 4.451
236 HD3 ARG 33 2HD ARG 33 -5.845 0.943 5.344
237 HE ARG 33 HE ARG 33 -8.052 0.142 3.611
238 HH11 ARG 33 1HH1 ARG 33 -6.576 2.555 5.640
239 HH12 ARG 33 2HH1 ARG 33 -8.032 3.476 5.827
240 HH21 ARG 33 1HH2 ARG 33 -9.975 1.346 3.849
241 HH22 ARG 33 2HH2 ARG 33 -9.964 2.787 4.808
242 H THR 34 H THR 34 -2.706 4.661 3.083
243 HA THR 34 HA THR 34 -4.168 7.040 3.733
244 HB THR 34 HB THR 34 -2.192 6.336 5.038
245 HG1 THR 34 HG1 THR 34 -2.890 8.665 4.611
246 HG21 THR 34 3HG2 THR 34 -0.017 6.338 4.202
247 HG22 THR 34 1HG2 THR 34 -0.451 7.312 2.799
248 HG23 THR 34 2HG2 THR 34 -0.945 5.621 2.885
249 H HIS 35 H HIS 35 -2.082 5.994 1.105
250 HA HIS 35 HA HIS 35 -1.718 8.517 -0.108
251 HB2 HIS 35 1HB HIS 35 -1.394 5.680 -0.955
252 HB3 HIS 35 2HB HIS 35 -1.457 6.907 -2.217
253 HD1 HIS 35 HD1 HIS 35 0.337 8.978 -1.743
254 HD2 HIS 35 HD2 HIS 35 1.097 5.289 0.011
255 HE1 HIS 35 HE1 HIS 35 2.781 9.005 -1.153
256 H SER 36 H SER 36 -4.208 6.048 -0.425
257 HA SER 36 HA SER 36 -5.559 7.523 -2.531
258 HB2 SER 36 1HB SER 36 -6.443 5.015 -1.085
259 HB3 SER 36 2HB SER 36 -7.127 5.663 -2.575
260 HG SER 36 HG SER 36 -4.733 5.448 -3.253
261 H GLY 37 H GLY 37 -7.984 7.839 -2.277
262 HA2 GLY 37 1HA GLY 37 -9.546 8.006 -0.148
263 HA3 GLY 37 2HA GLY 37 -8.412 9.298 0.216
264 H GLU 38 H GLU 38 -8.010 10.606 -2.049
265 HA GLU 38 HA GLU 38 -10.711 11.432 -2.889
266 HB2 GLU 38 1HB GLU 38 -9.377 13.070 -1.499
267 HB3 GLU 38 2HB GLU 38 -8.248 13.175 -2.843
268 HG2 GLU 38 1HG GLU 38 -9.661 15.015 -3.091
269 HG3 GLU 38 2HG GLU 38 -10.237 13.838 -4.270
270 H SER 39 H SER 39 -10.850 10.153 -4.717
271 HA SER 39 HA SER 39 -8.905 10.760 -6.848
272 HB2 SER 39 1HB SER 39 -10.534 8.229 -6.512
273 HB3 SER 39 2HB SER 39 -9.357 8.548 -7.785
274 HG SER 39 HG SER 39 -7.760 8.700 -6.130
275 H GLY 40 H GLY 40 -10.148 12.572 -7.517
276 HA2 GLY 40 1HA GLY 40 -11.757 12.308 -9.673
277 HA3 GLY 40 2HA GLY 40 -12.894 12.196 -8.338
278 HA PRO 41 HA PRO 41 -10.913 16.643 -8.370
279 HB2 PRO 41 1HB PRO 41 -9.952 17.412 -10.789
280 HB3 PRO 41 2HB PRO 41 -8.946 16.641 -9.557
281 HG2 PRO 41 1HG PRO 41 -10.249 15.433 -11.967
282 HG3 PRO 41 2HG PRO 41 -8.616 15.171 -11.328
283 HD2 PRO 41 1HD PRO 41 -10.644 13.430 -10.900
284 HD3 PRO 41 2HD PRO 41 -9.346 13.693 -9.717
285 H SER 42 H SER 42 -12.168 15.598 -11.542
286 HA SER 42 HA SER 42 -14.616 17.038 -11.159
287 HB2 SER 42 1HB SER 42 -14.371 18.597 -13.021
288 HB3 SER 42 2HB SER 42 -13.104 18.883 -11.829
289 HG SER 42 HG SER 42 -12.546 17.101 -13.898
290 H SER 43 H SER 43 -16.215 16.147 -12.335
291 HA SER 43 HA SER 43 -17.262 14.559 -13.598
292 HB2 SER 43 1HB SER 43 -15.248 15.751 -15.490
293 HB3 SER 43 2HB SER 43 -16.360 14.490 -16.023
294 HG SER 43 HG SER 43 -17.210 16.875 -14.751
295 H GLY 44 H GLY 44 -15.403 13.443 -11.863
296 HA2 GLY 44 1HA GLY 44 -14.934 11.093 -11.707
297 HA3 GLY 44 2HA GLY 44 -14.575 11.091 -13.428
Start of MODEL 13
1 H1 GLY 1 H GLY 1 28.168 6.618 -11.832
2 HA2 GLY 1 1HA GLY 1 26.362 6.676 -10.414
3 HA3 GLY 1 2HA GLY 1 25.345 6.590 -11.845
4 H SER 2 H SER 2 26.714 4.860 -9.204
5 HA SER 2 HA SER 2 26.204 2.224 -10.107
6 HB2 SER 2 1HB SER 2 26.392 1.621 -7.687
7 HB3 SER 2 2HB SER 2 27.741 2.593 -8.275
8 HG SER 2 HG SER 2 26.665 3.196 -6.190
9 H SER 3 H SER 3 24.573 0.754 -9.274
10 HA SER 3 HA SER 3 22.150 1.913 -8.180
11 HB2 SER 3 1HB SER 3 20.753 0.937 -10.042
12 HB3 SER 3 2HB SER 3 21.728 2.331 -10.504
13 HG SER 3 HG SER 3 22.157 -0.397 -11.091
14 H GLY 4 H GLY 4 21.006 0.476 -6.989
15 HA2 GLY 4 1HA GLY 4 20.187 -1.787 -6.639
16 HA3 GLY 4 2HA GLY 4 21.730 -2.375 -7.241
17 H SER 5 H SER 5 23.636 -1.257 -5.885
18 HA SER 5 HA SER 5 23.134 -2.109 -3.141
19 HB2 SER 5 1HB SER 5 25.638 -1.600 -4.739
20 HB3 SER 5 2HB SER 5 25.688 -1.808 -2.988
21 HG SER 5 HG SER 5 24.291 -3.796 -3.695
22 H SER 6 H SER 6 21.903 0.290 -3.778
23 HA SER 6 HA SER 6 23.520 2.229 -2.256
24 HB2 SER 6 1HB SER 6 22.204 4.002 -3.484
25 HB3 SER 6 2HB SER 6 23.314 3.073 -4.490
26 HG SER 6 HG SER 6 20.597 3.259 -4.610
27 H GLY 7 H GLY 7 20.151 1.437 -3.132
28 HA2 GLY 7 1HA GLY 7 19.306 2.485 -0.515
29 HA3 GLY 7 2HA GLY 7 18.259 2.264 -1.909
30 H THR 8 H THR 8 17.010 0.515 -1.946
31 HA THR 8 HA THR 8 17.806 -2.026 -0.958
32 HB THR 8 HB THR 8 17.401 -0.959 1.218
33 HG1 THR 8 HG1 THR 8 16.364 -2.702 1.952
34 HG21 THR 8 3HG2 THR 8 14.500 -0.813 0.946
35 HG22 THR 8 1HG2 THR 8 15.348 0.360 -0.060
36 HG23 THR 8 2HG2 THR 8 15.625 0.328 1.682
37 H ARG 9 H ARG 9 16.856 -3.347 -2.351
38 HA ARG 9 HA ARG 9 14.035 -2.897 -3.034
39 HB2 ARG 9 1HB ARG 9 14.568 -3.626 -5.377
40 HB3 ARG 9 2HB ARG 9 15.220 -2.055 -4.930
41 HG2 ARG 9 1HG ARG 9 17.045 -2.935 -5.949
42 HG3 ARG 9 2HG ARG 9 17.335 -3.514 -4.307
43 HD2 ARG 9 1HD ARG 9 16.810 -5.678 -4.831
44 HD3 ARG 9 2HD ARG 9 15.703 -5.210 -6.121
45 HE ARG 9 HE ARG 9 17.435 -5.431 -7.578
46 HH11 ARG 9 1HH1 ARG 9 18.742 -4.843 -4.406
47 HH12 ARG 9 2HH1 ARG 9 20.391 -5.014 -4.910
48 HH21 ARG 9 1HH2 ARG 9 19.602 -5.658 -8.255
49 HH22 ARG 9 2HH2 ARG 9 20.879 -5.477 -7.100
50 H GLU 10 H GLU 10 15.082 -4.679 -1.105
51 HA GLU 10 HA GLU 10 15.137 -7.317 -2.300
52 HB2 GLU 10 1HB GLU 10 15.083 -6.583 0.629
53 HB3 GLU 10 2HB GLU 10 15.534 -8.134 -0.063
54 HG2 GLU 10 1HG GLU 10 17.064 -5.737 -0.905
55 HG3 GLU 10 2HG GLU 10 17.334 -6.372 0.717
56 H LYS 11 H LYS 11 12.711 -5.368 -2.095
57 HA LYS 11 HA LYS 11 10.815 -7.395 -1.100
58 HB2 LYS 11 1HB LYS 11 10.950 -4.467 -0.677
59 HB3 LYS 11 2HB LYS 11 9.350 -5.129 -0.983
60 HG2 LYS 11 1HG LYS 11 9.586 -5.117 1.347
61 HG3 LYS 11 2HG LYS 11 9.843 -6.795 0.864
62 HD2 LYS 11 1HD LYS 11 11.591 -6.473 2.330
63 HD3 LYS 11 2HD LYS 11 12.358 -6.081 0.789
64 HE2 LYS 11 1HE LYS 11 13.023 -4.276 2.017
65 HE3 LYS 11 2HE LYS 11 11.499 -3.655 1.384
66 HZ1 LYS 11 3HZ LYS 11 11.037 -5.070 3.783
67 HZ2 LYS 11 1HZ LYS 11 10.733 -3.442 3.435
68 HZ3 LYS 11 2HZ LYS 11 12.241 -3.910 4.040
69 HA PRO 12 HA PRO 12 9.353 -7.471 -5.278
70 HB2 PRO 12 1HB PRO 12 7.096 -8.908 -4.819
71 HB3 PRO 12 2HB PRO 12 8.708 -9.633 -4.840
72 HG2 PRO 12 1HG PRO 12 7.036 -8.799 -2.501
73 HG3 PRO 12 2HG PRO 12 8.006 -10.268 -2.716
74 HD2 PRO 12 1HD PRO 12 8.870 -8.152 -1.265
75 HD3 PRO 12 2HD PRO 12 9.975 -9.198 -2.179
76 H TYR 13 H TYR 13 6.908 -6.900 -2.739
77 HA TYR 13 HA TYR 13 5.150 -5.470 -4.448
78 HB2 TYR 13 1HB TYR 13 5.335 -5.562 -1.431
79 HB3 TYR 13 2HB TYR 13 4.018 -4.809 -2.324
80 HD1 TYR 13 HD2 TYR 13 2.539 -6.242 -3.757
81 HD2 TYR 13 HD1 TYR 13 5.391 -7.902 -1.070
82 HE1 TYR 13 HE2 TYR 13 1.367 -8.402 -3.856
83 HE2 TYR 13 HE1 TYR 13 4.227 -10.067 -1.162
84 HH TYR 13 HH TYR 13 2.147 -11.017 -1.720
85 H GLU 14 H GLU 14 4.945 -3.331 -4.859
86 HA GLU 14 HA GLU 14 6.647 -1.442 -3.406
87 HB2 GLU 14 1HB GLU 14 6.826 -2.148 -6.274
88 HB3 GLU 14 2HB GLU 14 6.874 -0.430 -5.903
89 HG2 GLU 14 1HG GLU 14 8.892 -0.560 -4.879
90 HG3 GLU 14 2HG GLU 14 8.625 -2.207 -4.311
91 H CYS 15 H CYS 15 5.777 0.562 -3.134
92 HA CYS 15 HA CYS 15 2.974 0.853 -3.544
93 HB2 CYS 15 1HB CYS 15 4.264 1.825 -1.621
94 HB3 CYS 15 2HB CYS 15 4.948 2.997 -2.743
95 H SER 16 H SER 16 1.887 1.775 -5.165
96 HA SER 16 HA SER 16 3.357 2.722 -7.468
97 HB2 SER 16 1HB SER 16 1.170 1.252 -7.380
98 HB3 SER 16 2HB SER 16 0.369 2.821 -7.301
99 HG SER 16 HG SER 16 1.402 3.378 -9.245
100 H GLU 17 H GLU 17 2.617 4.177 -4.702
101 HA GLU 17 HA GLU 17 1.733 6.706 -5.895
102 HB2 GLU 17 1HB GLU 17 1.980 5.969 -2.974
103 HB3 GLU 17 2HB GLU 17 1.255 7.433 -3.623
104 HG2 GLU 17 1HG GLU 17 0.168 4.801 -4.478
105 HG3 GLU 17 2HG GLU 17 -0.217 5.401 -2.866
106 H CYS 18 H CYS 18 4.193 5.454 -3.647
107 HA CYS 18 HA CYS 18 5.865 7.786 -4.314
108 HB2 CYS 18 1HB CYS 18 7.025 7.340 -2.151
109 HB3 CYS 18 2HB CYS 18 5.327 7.766 -1.962
110 H GLY 19 H GLY 19 5.861 4.290 -3.789
111 HA2 GLY 19 1HA GLY 19 7.147 3.011 -5.482
112 HA3 GLY 19 2HA GLY 19 8.442 4.171 -5.225
113 H LYS 20 H LYS 20 6.923 3.531 -2.323
114 HA LYS 20 HA LYS 20 9.107 2.443 -1.052
115 HB2 LYS 20 1HB LYS 20 6.819 3.331 -0.130
116 HB3 LYS 20 2HB LYS 20 6.352 1.636 -0.192
117 HG2 LYS 20 1HG LYS 20 7.721 1.050 1.518
118 HG3 LYS 20 2HG LYS 20 8.921 2.286 1.130
119 HD2 LYS 20 1HD LYS 20 6.250 3.180 2.084
120 HD3 LYS 20 2HD LYS 20 7.357 2.471 3.263
121 HE2 LYS 20 1HE LYS 20 9.086 4.113 2.235
122 HE3 LYS 20 2HE LYS 20 7.663 4.960 1.629
123 HZ1 LYS 20 3HZ LYS 20 8.661 5.582 3.923
124 HZ2 LYS 20 1HZ LYS 20 7.807 4.229 4.473
125 HZ3 LYS 20 2HZ LYS 20 6.981 5.508 3.736
126 H ALA 21 H ALA 21 8.744 0.171 0.201
127 HA ALA 21 HA ALA 21 8.078 -1.886 -1.783
128 HB1 ALA 21 3HB ALA 21 10.597 -1.273 -1.649
129 HB2 ALA 21 1HB ALA 21 10.560 -2.193 -0.145
130 HB3 ALA 21 2HB ALA 21 10.117 -2.969 -1.666
131 H PHE 22 H PHE 22 7.724 -4.004 -0.868
132 HA PHE 22 HA PHE 22 7.512 -4.230 2.012
133 HB2 PHE 22 1HB PHE 22 5.044 -4.524 0.289
134 HB3 PHE 22 2HB PHE 22 5.137 -4.750 2.032
135 HD1 PHE 22 HD1 PHE 22 5.537 -2.215 -0.644
136 HD2 PHE 22 HD2 PHE 22 4.811 -2.957 3.484
137 HE1 PHE 22 HE1 PHE 22 5.006 0.165 -0.313
138 HE2 PHE 22 HE2 PHE 22 4.278 -0.579 3.821
139 HZ PHE 22 HZ PHE 22 4.375 0.986 1.921
140 H ILE 23 H ILE 23 6.752 -6.439 2.654
141 HA ILE 23 HA ILE 23 7.964 -8.397 0.864
142 HB ILE 23 HB ILE 23 6.978 -8.788 3.691
143 HG12 ILE 23 1HG1 ILE 23 9.617 -8.833 3.988
144 HG13 ILE 23 2HG1 ILE 23 9.559 -7.789 2.572
145 HG21 ILE 23 1HG2 ILE 23 7.873 -10.603 1.688
146 HG22 ILE 23 2HG2 ILE 23 9.066 -10.559 2.985
147 HG23 ILE 23 3HG2 ILE 23 7.383 -10.942 3.348
148 HD11 ILE 23 3HD1 ILE 23 7.641 -6.891 4.483
149 HD12 ILE 23 1HD1 ILE 23 9.210 -7.082 5.264
150 HD13 ILE 23 2HD1 ILE 23 9.053 -6.054 3.839
151 H ARG 24 H ARG 24 4.891 -7.733 2.471
152 HA ARG 24 HA ARG 24 3.641 -9.776 0.753
153 HB2 ARG 24 1HB ARG 24 2.741 -8.938 3.516
154 HB3 ARG 24 2HB ARG 24 1.989 -10.164 2.504
155 HG2 ARG 24 1HG ARG 24 4.311 -11.305 2.583
156 HG3 ARG 24 2HG ARG 24 4.580 -10.267 3.984
157 HD2 ARG 24 1HD ARG 24 3.727 -12.467 4.637
158 HD3 ARG 24 2HD ARG 24 2.601 -11.179 5.062
159 HE ARG 24 HE ARG 24 1.067 -12.130 3.667
160 HH11 ARG 24 1HH1 ARG 24 4.230 -13.319 2.828
161 HH12 ARG 24 2HH1 ARG 24 3.635 -14.463 1.670
162 HH21 ARG 24 1HH2 ARG 24 0.272 -13.632 2.146
163 HH22 ARG 24 2HH2 ARG 24 1.384 -14.639 1.282
164 H ASN 25 H ASN 25 1.864 -9.195 -0.394
165 HA ASN 25 HA ASN 25 1.394 -6.637 -1.184
166 HB2 ASN 25 1HB ASN 25 0.365 -8.940 -1.964
167 HB3 ASN 25 2HB ASN 25 -0.978 -8.442 -0.939
168 HD21 ASN 25 1HD2 ASN 25 -0.847 -5.684 -1.376
169 HD22 ASN 25 2HD2 ASN 25 -1.311 -5.369 -3.010
170 H SER 26 H SER 26 -0.614 -8.345 1.223
171 HA SER 26 HA SER 26 -2.312 -6.376 1.988
172 HB2 SER 26 1HB SER 26 -0.899 -8.400 3.734
173 HB3 SER 26 2HB SER 26 -2.229 -7.391 4.304
174 HG SER 26 HG SER 26 -2.258 -9.579 2.621
175 H GLN 27 H GLN 27 1.070 -6.694 2.920
176 HA GLN 27 HA GLN 27 1.117 -4.661 4.866
177 HB2 GLN 27 1HB GLN 27 3.389 -5.524 3.071
178 HB3 GLN 27 2HB GLN 27 3.527 -4.705 4.621
179 HG2 GLN 27 1HG GLN 27 2.100 -7.305 4.539
180 HG3 GLN 27 2HG GLN 27 3.856 -7.309 4.381
181 HE21 GLN 27 1HE2 GLN 27 4.511 -8.061 6.292
182 HE22 GLN 27 2HE2 GLN 27 4.118 -7.364 7.823
183 H LEU 28 H LEU 28 1.725 -4.602 1.378
184 HA LEU 28 HA LEU 28 2.464 -1.873 1.251
185 HB2 LEU 28 1HB LEU 28 3.131 -3.145 -0.573
186 HB3 LEU 28 2HB LEU 28 1.548 -3.901 -0.747
187 HG LEU 28 HG LEU 28 0.652 -1.787 -1.627
188 HD11 LEU 28 1HD1 LEU 28 2.614 -0.516 -0.382
189 HD12 LEU 28 2HD1 LEU 28 1.837 0.145 -1.820
190 HD13 LEU 28 3HD1 LEU 28 3.386 -0.685 -1.959
191 HD21 LEU 28 3HD2 LEU 28 1.146 -2.821 -3.535
192 HD22 LEU 28 1HD2 LEU 28 2.657 -3.456 -2.884
193 HD23 LEU 28 2HD2 LEU 28 2.610 -1.840 -3.589
194 H ILE 29 H ILE 29 -0.587 -3.507 0.392
195 HA ILE 29 HA ILE 29 -2.137 -1.407 -0.353
196 HB ILE 29 HB ILE 29 -3.010 -3.667 1.450
197 HG12 ILE 29 1HG1 ILE 29 -3.322 -3.463 -1.543
198 HG13 ILE 29 2HG1 ILE 29 -1.915 -4.214 -0.797
199 HG21 ILE 29 1HG2 ILE 29 -4.586 -1.767 1.409
200 HG22 ILE 29 2HG2 ILE 29 -4.678 -1.912 -0.345
201 HG23 ILE 29 3HG2 ILE 29 -5.256 -3.226 0.680
202 HD11 ILE 29 3HD1 ILE 29 -3.018 -6.110 -0.556
203 HD12 ILE 29 1HD1 ILE 29 -4.287 -5.298 0.361
204 HD13 ILE 29 2HD1 ILE 29 -4.389 -5.387 -1.398
205 H VAL 30 H VAL 30 -1.568 -2.446 3.001
206 HA VAL 30 HA VAL 30 -3.162 -0.593 4.307
207 HB VAL 30 HB VAL 30 -0.511 -1.722 5.215
208 HG11 VAL 30 1HG1 VAL 30 -2.560 -0.041 6.577
209 HG12 VAL 30 2HG1 VAL 30 -1.707 -1.274 7.508
210 HG13 VAL 30 3HG1 VAL 30 -0.802 0.005 6.698
211 HG21 VAL 30 3HG2 VAL 30 -1.609 -3.646 5.403
212 HG22 VAL 30 1HG2 VAL 30 -2.670 -2.882 6.587
213 HG23 VAL 30 2HG2 VAL 30 -3.112 -2.885 4.880
214 H HIS 31 H HIS 31 0.088 -0.238 3.005
215 HA HIS 31 HA HIS 31 0.496 2.371 4.133
216 HB2 HIS 31 1HB HIS 31 2.449 1.058 3.710
217 HB3 HIS 31 2HB HIS 31 1.981 0.787 2.034
218 HD1 HIS 31 HD1 HIS 31 3.184 3.564 4.305
219 HD2 HIS 31 HD2 HIS 31 2.915 2.650 0.261
220 HE1 HIS 31 HE1 HIS 31 4.450 5.385 3.119
221 H GLN 32 H GLN 32 -1.066 1.121 1.352
222 HA GLN 32 HA GLN 32 -0.877 3.571 -0.176
223 HB2 GLN 32 1HB GLN 32 -2.431 1.021 -0.632
224 HB3 GLN 32 2HB GLN 32 -2.424 2.382 -1.745
225 HG2 GLN 32 1HG GLN 32 0.064 2.122 -1.896
226 HG3 GLN 32 2HG GLN 32 -0.109 0.625 -0.982
227 HE21 GLN 32 1HE2 GLN 32 0.066 1.929 -4.010
228 HE22 GLN 32 2HE2 GLN 32 -0.622 0.630 -4.917
229 H ARG 33 H ARG 33 -3.043 2.093 2.086
230 HA ARG 33 HA ARG 33 -5.470 3.246 1.506
231 HB2 ARG 33 1HB ARG 33 -4.185 2.711 4.184
232 HB3 ARG 33 2HB ARG 33 -5.860 3.215 4.005
233 HG2 ARG 33 1HG ARG 33 -6.078 1.178 2.445
234 HG3 ARG 33 2HG ARG 33 -4.570 0.643 3.190
235 HD2 ARG 33 1HD ARG 33 -5.559 0.597 5.351
236 HD3 ARG 33 2HD ARG 33 -7.002 1.432 4.777
237 HE ARG 33 HE ARG 33 -6.501 -1.364 4.678
238 HH11 ARG 33 1HH1 ARG 33 -8.024 1.245 2.947
239 HH12 ARG 33 2HH1 ARG 33 -9.190 0.224 2.172
240 HH21 ARG 33 1HH2 ARG 33 -8.031 -2.718 3.664
241 HH22 ARG 33 2HH2 ARG 33 -9.193 -2.030 2.582
242 H THR 34 H THR 34 -2.741 4.678 3.247
243 HA THR 34 HA THR 34 -4.055 7.113 3.882
244 HB THR 34 HB THR 34 -2.034 6.298 5.076
245 HG1 THR 34 HG1 THR 34 -2.219 8.867 3.951
246 HG21 THR 34 3HG2 THR 34 -0.382 7.351 2.808
247 HG22 THR 34 1HG2 THR 34 -0.903 5.667 2.829
248 HG23 THR 34 2HG2 THR 34 0.096 6.297 4.139
249 H HIS 35 H HIS 35 -2.099 6.034 1.165
250 HA HIS 35 HA HIS 35 -1.717 8.560 -0.038
251 HB2 HIS 35 1HB HIS 35 -1.484 5.724 -0.913
252 HB3 HIS 35 2HB HIS 35 -1.580 6.955 -2.168
253 HD1 HIS 35 HD1 HIS 35 0.279 8.969 -1.826
254 HD2 HIS 35 HD2 HIS 35 1.028 5.314 0.003
255 HE1 HIS 35 HE1 HIS 35 2.744 8.959 -1.326
256 H SER 36 H SER 36 -4.298 6.185 -0.231
257 HA SER 36 HA SER 36 -5.664 7.566 -2.364
258 HB2 SER 36 1HB SER 36 -7.358 5.861 -2.150
259 HB3 SER 36 2HB SER 36 -5.781 5.081 -2.034
260 HG SER 36 HG SER 36 -7.597 4.649 -0.392
261 H GLY 37 H GLY 37 -5.192 9.348 -0.329
262 HA2 GLY 37 1HA GLY 37 -7.823 9.652 0.973
263 HA3 GLY 37 2HA GLY 37 -6.323 10.336 1.583
264 H GLU 38 H GLU 38 -5.265 11.522 -0.644
265 HA GLU 38 HA GLU 38 -7.274 13.594 -1.227
266 HB2 GLU 38 1HB GLU 38 -4.333 13.698 -0.721
267 HB3 GLU 38 2HB GLU 38 -5.043 14.901 -1.787
268 HG2 GLU 38 1HG GLU 38 -5.133 15.971 0.234
269 HG3 GLU 38 2HG GLU 38 -6.734 15.237 0.157
270 H SER 39 H SER 39 -7.788 14.052 -3.283
271 HA SER 39 HA SER 39 -6.156 12.844 -5.418
272 HB2 SER 39 1HB SER 39 -8.147 11.505 -5.235
273 HB3 SER 39 2HB SER 39 -9.171 12.940 -5.197
274 HG SER 39 HG SER 39 -9.115 11.946 -7.269
275 H GLY 40 H GLY 40 -5.247 14.418 -6.558
276 HA2 GLY 40 1HA GLY 40 -6.095 16.137 -8.284
277 HA3 GLY 40 2HA GLY 40 -6.687 16.968 -6.853
278 HA PRO 41 HA PRO 41 -1.837 17.062 -6.688
279 HB2 PRO 41 1HB PRO 41 -0.575 16.461 -9.015
280 HB3 PRO 41 2HB PRO 41 -0.945 15.249 -7.782
281 HG2 PRO 41 1HG PRO 41 -2.414 15.888 -10.311
282 HG3 PRO 41 2HG PRO 41 -2.022 14.305 -9.614
283 HD2 PRO 41 1HD PRO 41 -4.471 15.436 -9.374
284 HD3 PRO 41 2HD PRO 41 -3.777 14.388 -8.121
285 H SER 42 H SER 42 -3.986 18.267 -8.967
286 HA SER 42 HA SER 42 -2.270 20.617 -9.426
287 HB2 SER 42 1HB SER 42 -3.963 19.082 -11.365
288 HB3 SER 42 2HB SER 42 -3.728 20.814 -11.603
289 HG SER 42 HG SER 42 -2.011 20.060 -12.616
290 H SER 43 H SER 43 -3.297 21.496 -7.530
291 HA SER 43 HA SER 43 -5.466 23.190 -8.128
292 HB2 SER 43 1HB SER 43 -7.159 22.254 -6.584
293 HB3 SER 43 2HB SER 43 -6.816 21.163 -7.927
294 HG SER 43 HG SER 43 -6.044 20.954 -5.225
295 H GLY 44 H GLY 44 -4.827 24.937 -7.060
296 HA2 GLY 44 1HA GLY 44 -4.415 26.276 -5.208
297 HA3 GLY 44 2HA GLY 44 -4.456 24.839 -4.197
Start of MODEL 14
1 H1 GLY 1 H GLY 1 23.423 16.444 4.315
2 HA2 GLY 1 1HA GLY 1 26.084 15.778 3.310
3 HA3 GLY 1 2HA GLY 1 25.166 14.871 4.504
4 H SER 2 H SER 2 24.460 12.968 3.835
5 HA SER 2 HA SER 2 23.857 12.628 0.969
6 HB2 SER 2 1HB SER 2 24.627 10.289 1.180
7 HB3 SER 2 2HB SER 2 25.914 11.437 1.549
8 HG SER 2 HG SER 2 25.728 10.974 3.682
9 H SER 3 H SER 3 22.484 10.554 0.647
10 HA SER 3 HA SER 3 20.398 10.464 2.727
11 HB2 SER 3 1HB SER 3 18.759 10.131 0.841
12 HB3 SER 3 2HB SER 3 19.497 11.732 0.897
13 HG SER 3 HG SER 3 21.087 10.696 -0.641
14 H GLY 4 H GLY 4 19.282 8.485 2.979
15 HA2 GLY 4 1HA GLY 4 20.144 6.172 1.455
16 HA3 GLY 4 2HA GLY 4 20.668 6.188 3.132
17 H SER 5 H SER 5 17.727 6.590 1.167
18 HA SER 5 HA SER 5 16.278 5.058 3.225
19 HB2 SER 5 1HB SER 5 15.235 7.406 1.622
20 HB3 SER 5 2HB SER 5 14.271 6.419 2.721
21 HG SER 5 HG SER 5 15.487 8.537 3.400
22 H SER 6 H SER 6 15.988 6.194 -0.145
23 HA SER 6 HA SER 6 14.558 3.742 -0.829
24 HB2 SER 6 1HB SER 6 15.123 6.204 -2.501
25 HB3 SER 6 2HB SER 6 14.096 4.851 -2.976
26 HG SER 6 HG SER 6 12.543 5.628 -1.788
27 H GLY 7 H GLY 7 16.240 2.230 -0.759
28 HA2 GLY 7 1HA GLY 7 18.187 2.500 -2.965
29 HA3 GLY 7 2HA GLY 7 18.639 1.834 -1.403
30 H THR 8 H THR 8 18.707 -0.300 -1.303
31 HA THR 8 HA THR 8 17.959 -1.976 -3.419
32 HB THR 8 HB THR 8 18.410 -2.739 -0.527
33 HG1 THR 8 HG1 THR 8 20.130 -2.266 -2.713
34 HG21 THR 8 3HG2 THR 8 17.673 -4.737 -1.258
35 HG22 THR 8 1HG2 THR 8 19.244 -4.841 -2.052
36 HG23 THR 8 2HG2 THR 8 17.834 -4.285 -2.955
37 H ARG 9 H ARG 9 15.869 -1.973 -4.065
38 HA ARG 9 HA ARG 9 13.762 -2.313 -2.062
39 HB2 ARG 9 1HB ARG 9 12.208 -1.770 -3.871
40 HB3 ARG 9 2HB ARG 9 13.453 -0.537 -3.722
41 HG2 ARG 9 1HG ARG 9 14.627 -2.031 -5.569
42 HG3 ARG 9 2HG ARG 9 12.953 -2.482 -5.900
43 HD2 ARG 9 1HD ARG 9 12.352 -0.162 -6.213
44 HD3 ARG 9 2HD ARG 9 13.976 0.351 -5.757
45 HE ARG 9 HE ARG 9 13.127 -0.580 -8.317
46 HH11 ARG 9 1HH1 ARG 9 15.835 -0.451 -6.133
47 HH12 ARG 9 2HH1 ARG 9 17.021 -0.564 -7.391
48 HH21 ARG 9 1HH2 ARG 9 14.679 -0.729 -9.982
49 HH22 ARG 9 2HH2 ARG 9 16.363 -0.722 -9.579
50 H GLU 10 H GLU 10 15.280 -4.547 -2.255
51 HA GLU 10 HA GLU 10 14.754 -6.465 -4.134
52 HB2 GLU 10 1HB GLU 10 15.152 -8.137 -2.383
53 HB3 GLU 10 2HB GLU 10 16.305 -6.814 -2.283
54 HG2 GLU 10 1HG GLU 10 15.369 -5.968 -0.346
55 HG3 GLU 10 2HG GLU 10 13.825 -6.774 -0.620
56 H LYS 11 H LYS 11 12.650 -5.317 -1.585
57 HA LYS 11 HA LYS 11 10.745 -7.294 -1.444
58 HB2 LYS 11 1HB LYS 11 10.699 -4.340 -1.110
59 HB3 LYS 11 2HB LYS 11 9.147 -5.156 -1.245
60 HG2 LYS 11 1HG LYS 11 9.402 -5.240 1.005
61 HG3 LYS 11 2HG LYS 11 10.239 -6.735 0.581
62 HD2 LYS 11 1HD LYS 11 12.318 -5.123 0.413
63 HD3 LYS 11 2HD LYS 11 11.346 -4.123 1.495
64 HE2 LYS 11 1HE LYS 11 11.067 -6.294 2.868
65 HE3 LYS 11 2HE LYS 11 12.451 -6.873 1.943
66 HZ1 LYS 11 3HZ LYS 11 13.250 -4.425 2.771
67 HZ2 LYS 11 1HZ LYS 11 13.656 -5.887 3.518
68 HZ3 LYS 11 2HZ LYS 11 12.355 -4.975 4.098
69 HA PRO 12 HA PRO 12 9.011 -7.534 -5.497
70 HB2 PRO 12 1HB PRO 12 6.750 -8.893 -4.856
71 HB3 PRO 12 2HB PRO 12 8.345 -9.653 -4.912
72 HG2 PRO 12 1HG PRO 12 6.803 -8.657 -2.547
73 HG3 PRO 12 2HG PRO 12 7.732 -10.157 -2.726
74 HD2 PRO 12 1HD PRO 12 8.707 -7.986 -1.435
75 HD3 PRO 12 2HD PRO 12 9.746 -9.105 -2.341
76 H TYR 13 H TYR 13 6.800 -6.668 -2.839
77 HA TYR 13 HA TYR 13 5.046 -5.228 -4.619
78 HB2 TYR 13 1HB TYR 13 5.068 -5.388 -1.598
79 HB3 TYR 13 2HB TYR 13 3.781 -4.691 -2.576
80 HD1 TYR 13 HD2 TYR 13 2.320 -6.135 -3.920
81 HD2 TYR 13 HD1 TYR 13 5.322 -7.774 -1.388
82 HE1 TYR 13 HE2 TYR 13 1.241 -8.339 -4.077
83 HE2 TYR 13 HE1 TYR 13 4.252 -9.984 -1.540
84 HH TYR 13 HH TYR 13 1.562 -10.577 -3.712
85 H GLU 14 H GLU 14 4.999 -3.092 -5.008
86 HA GLU 14 HA GLU 14 6.679 -1.326 -3.370
87 HB2 GLU 14 1HB GLU 14 6.888 -1.873 -6.271
88 HB3 GLU 14 2HB GLU 14 6.990 -0.183 -5.797
89 HG2 GLU 14 1HG GLU 14 8.982 -0.447 -4.747
90 HG3 GLU 14 2HG GLU 14 8.646 -2.116 -4.288
91 H CYS 15 H CYS 15 5.974 0.802 -3.191
92 HA CYS 15 HA CYS 15 3.150 1.174 -3.566
93 HB2 CYS 15 1HB CYS 15 4.509 2.010 -1.589
94 HB3 CYS 15 2HB CYS 15 5.144 3.252 -2.662
95 H SER 16 H SER 16 2.163 2.093 -5.237
96 HA SER 16 HA SER 16 3.736 3.172 -7.410
97 HB2 SER 16 1HB SER 16 0.794 2.601 -7.058
98 HB3 SER 16 2HB SER 16 1.429 3.411 -8.490
99 HG SER 16 HG SER 16 2.574 1.600 -9.008
100 H GLU 17 H GLU 17 3.207 4.559 -4.702
101 HA GLU 17 HA GLU 17 2.249 7.114 -5.814
102 HB2 GLU 17 1HB GLU 17 2.299 6.385 -2.889
103 HB3 GLU 17 2HB GLU 17 1.465 7.732 -3.651
104 HG2 GLU 17 1HG GLU 17 0.744 4.961 -4.455
105 HG3 GLU 17 2HG GLU 17 0.174 5.579 -2.906
106 H CYS 18 H CYS 18 4.600 5.631 -3.617
107 HA CYS 18 HA CYS 18 6.318 7.995 -3.997
108 HB2 CYS 18 1HB CYS 18 7.249 7.582 -1.761
109 HB3 CYS 18 2HB CYS 18 5.514 7.870 -1.687
110 H GLY 19 H GLY 19 6.132 4.497 -3.703
111 HA2 GLY 19 1HA GLY 19 7.552 3.229 -5.258
112 HA3 GLY 19 2HA GLY 19 8.849 4.346 -4.857
113 H LYS 20 H LYS 20 6.974 3.558 -2.165
114 HA LYS 20 HA LYS 20 9.031 2.427 -0.705
115 HB2 LYS 20 1HB LYS 20 6.743 3.315 0.081
116 HB3 LYS 20 2HB LYS 20 6.150 1.690 -0.238
117 HG2 LYS 20 1HG LYS 20 7.270 0.782 1.522
118 HG3 LYS 20 2HG LYS 20 8.574 1.970 1.449
119 HD2 LYS 20 1HD LYS 20 6.746 3.653 2.189
120 HD3 LYS 20 2HD LYS 20 5.858 2.212 2.689
121 HE2 LYS 20 1HE LYS 20 7.481 1.622 4.267
122 HE3 LYS 20 2HE LYS 20 8.698 2.668 3.539
123 HZ1 LYS 20 3HZ LYS 20 7.712 3.505 5.654
124 HZ2 LYS 20 1HZ LYS 20 6.240 3.695 4.841
125 HZ3 LYS 20 2HZ LYS 20 7.596 4.582 4.354
126 H ALA 21 H ALA 21 8.644 0.119 0.380
127 HA ALA 21 HA ALA 21 8.056 -1.870 -1.688
128 HB1 ALA 21 3HB ALA 21 10.424 -2.599 -0.180
129 HB2 ALA 21 1HB ALA 21 10.145 -2.607 -1.921
130 HB3 ALA 21 2HB ALA 21 10.654 -1.122 -1.116
131 H PHE 22 H PHE 22 7.667 -3.997 -0.869
132 HA PHE 22 HA PHE 22 7.522 -4.377 1.998
133 HB2 PHE 22 1HB PHE 22 4.997 -4.575 0.348
134 HB3 PHE 22 2HB PHE 22 5.150 -4.820 2.084
135 HD1 PHE 22 HD1 PHE 22 5.420 -2.276 -0.591
136 HD2 PHE 22 HD2 PHE 22 4.969 -3.025 3.575
137 HE1 PHE 22 HE1 PHE 22 4.934 0.107 -0.218
138 HE2 PHE 22 HE2 PHE 22 4.482 -0.644 3.954
139 HZ PHE 22 HZ PHE 22 4.463 0.926 2.056
140 H ILE 23 H ILE 23 6.876 -6.595 2.571
141 HA ILE 23 HA ILE 23 7.999 -8.472 0.671
142 HB ILE 23 HB ILE 23 6.993 -8.893 3.487
143 HG12 ILE 23 1HG1 ILE 23 9.025 -7.448 3.214
144 HG13 ILE 23 2HG1 ILE 23 9.308 -8.919 4.138
145 HG21 ILE 23 1HG2 ILE 23 8.676 -10.790 1.873
146 HG22 ILE 23 2HG2 ILE 23 7.864 -11.083 3.410
147 HG23 ILE 23 3HG2 ILE 23 6.917 -10.894 1.935
148 HD11 ILE 23 3HD1 ILE 23 11.057 -8.240 2.422
149 HD12 ILE 23 1HD1 ILE 23 10.502 -9.914 2.400
150 HD13 ILE 23 2HD1 ILE 23 9.894 -8.768 1.206
151 H ARG 24 H ARG 24 4.902 -7.894 2.281
152 HA ARG 24 HA ARG 24 3.652 -9.736 0.350
153 HB2 ARG 24 1HB ARG 24 2.647 -9.223 3.151
154 HB3 ARG 24 2HB ARG 24 2.065 -10.427 2.009
155 HG2 ARG 24 1HG ARG 24 4.183 -11.621 2.170
156 HG3 ARG 24 2HG ARG 24 4.787 -10.404 3.296
157 HD2 ARG 24 1HD ARG 24 3.995 -12.410 4.460
158 HD3 ARG 24 2HD ARG 24 3.049 -10.986 4.890
159 HE ARG 24 HE ARG 24 1.205 -11.946 3.915
160 HH11 ARG 24 1HH1 ARG 24 4.059 -13.726 3.019
161 HH12 ARG 24 2HH1 ARG 24 3.177 -15.032 2.299
162 HH21 ARG 24 1HH2 ARG 24 0.032 -13.659 2.970
163 HH22 ARG 24 2HH2 ARG 24 0.887 -14.992 2.271
164 H ASN 25 H ASN 25 1.765 -9.079 -0.617
165 HA ASN 25 HA ASN 25 1.323 -6.432 -1.145
166 HB2 ASN 25 1HB ASN 25 0.261 -8.646 -2.135
167 HB3 ASN 25 2HB ASN 25 -1.060 -8.232 -1.047
168 HD21 ASN 25 1HD2 ASN 25 -0.565 -5.365 -1.305
169 HD22 ASN 25 2HD2 ASN 25 -1.174 -4.918 -2.859
170 H SER 26 H SER 26 -0.545 -8.397 1.173
171 HA SER 26 HA SER 26 -2.303 -6.628 2.179
172 HB2 SER 26 1HB SER 26 -1.660 -9.043 2.973
173 HB3 SER 26 2HB SER 26 -0.682 -8.185 4.164
174 HG SER 26 HG SER 26 -2.883 -6.964 4.360
175 H GLN 27 H GLN 27 1.157 -6.625 2.774
176 HA GLN 27 HA GLN 27 1.133 -4.654 4.818
177 HB2 GLN 27 1HB GLN 27 3.403 -5.287 2.930
178 HB3 GLN 27 2HB GLN 27 3.518 -4.555 4.525
179 HG2 GLN 27 1HG GLN 27 2.330 -6.829 5.218
180 HG3 GLN 27 2HG GLN 27 3.140 -7.384 3.754
181 HE21 GLN 27 1HE2 GLN 27 5.427 -5.800 3.883
182 HE22 GLN 27 2HE2 GLN 27 6.381 -6.315 5.227
183 H LEU 28 H LEU 28 1.965 -4.462 1.356
184 HA LEU 28 HA LEU 28 2.417 -1.732 1.208
185 HB2 LEU 28 1HB LEU 28 3.016 -2.977 -0.666
186 HB3 LEU 28 2HB LEU 28 1.437 -3.751 -0.772
187 HG LEU 28 HG LEU 28 0.473 -1.615 -1.547
188 HD11 LEU 28 1HD1 LEU 28 1.966 0.196 -2.227
189 HD12 LEU 28 2HD1 LEU 28 3.338 -0.674 -1.543
190 HD13 LEU 28 3HD1 LEU 28 2.049 -0.091 -0.489
191 HD21 LEU 28 3HD2 LEU 28 2.204 -1.615 -3.666
192 HD22 LEU 28 1HD2 LEU 28 0.841 -2.716 -3.459
193 HD23 LEU 28 2HD2 LEU 28 2.461 -3.215 -2.969
194 H ILE 29 H ILE 29 -0.622 -3.452 0.484
195 HA ILE 29 HA ILE 29 -2.297 -1.436 -0.153
196 HB ILE 29 HB ILE 29 -2.946 -3.678 1.764
197 HG12 ILE 29 1HG1 ILE 29 -3.528 -3.550 -1.191
198 HG13 ILE 29 2HG1 ILE 29 -2.027 -4.224 -0.566
199 HG21 ILE 29 1HG2 ILE 29 -5.078 -2.633 0.060
200 HG22 ILE 29 2HG2 ILE 29 -5.097 -3.057 1.771
201 HG23 ILE 29 3HG2 ILE 29 -4.491 -1.482 1.260
202 HD11 ILE 29 3HD1 ILE 29 -4.819 -5.247 -0.274
203 HD12 ILE 29 1HD1 ILE 29 -3.379 -6.077 -0.864
204 HD13 ILE 29 2HD1 ILE 29 -3.553 -5.727 0.856
205 H VAL 30 H VAL 30 -1.683 -2.448 3.214
206 HA VAL 30 HA VAL 30 -3.160 -0.522 4.521
207 HB VAL 30 HB VAL 30 -0.514 -1.700 5.382
208 HG11 VAL 30 1HG1 VAL 30 -1.314 0.439 6.541
209 HG12 VAL 30 2HG1 VAL 30 -2.607 -0.561 7.206
210 HG13 VAL 30 3HG1 VAL 30 -0.923 -0.947 7.558
211 HG21 VAL 30 3HG2 VAL 30 -1.788 -3.349 6.544
212 HG22 VAL 30 1HG2 VAL 30 -3.302 -2.526 6.170
213 HG23 VAL 30 2HG2 VAL 30 -2.379 -3.301 4.883
214 H HIS 31 H HIS 31 0.054 -0.259 3.116
215 HA HIS 31 HA HIS 31 0.508 2.383 4.180
216 HB2 HIS 31 1HB HIS 31 2.427 0.960 3.831
217 HB3 HIS 31 2HB HIS 31 2.009 0.737 2.135
218 HD1 HIS 31 HD1 HIS 31 3.400 3.298 4.510
219 HD2 HIS 31 HD2 HIS 31 2.870 2.738 0.428
220 HE1 HIS 31 HE1 HIS 31 4.712 5.136 3.404
221 H GLN 32 H GLN 32 -1.041 1.036 1.442
222 HA GLN 32 HA GLN 32 -0.796 3.432 -0.175
223 HB2 GLN 32 1HB GLN 32 -2.283 0.839 -0.596
224 HB3 GLN 32 2HB GLN 32 -2.304 2.171 -1.743
225 HG2 GLN 32 1HG GLN 32 0.232 1.979 -1.766
226 HG3 GLN 32 2HG GLN 32 0.006 0.437 -0.942
227 HE21 GLN 32 1HE2 GLN 32 0.659 1.644 -3.818
228 HE22 GLN 32 2HE2 GLN 32 -0.119 0.498 -4.850
229 H ARG 33 H ARG 33 -2.992 2.036 2.094
230 HA ARG 33 HA ARG 33 -5.415 3.162 1.376
231 HB2 ARG 33 1HB ARG 33 -4.267 2.694 4.132
232 HB3 ARG 33 2HB ARG 33 -5.948 3.108 3.823
233 HG2 ARG 33 1HG ARG 33 -6.024 1.042 2.344
234 HG3 ARG 33 2HG ARG 33 -4.480 0.602 3.077
235 HD2 ARG 33 1HD ARG 33 -6.096 -0.504 4.368
236 HD3 ARG 33 2HD ARG 33 -5.644 0.909 5.321
237 HE ARG 33 HE ARG 33 -8.186 0.445 3.976
238 HH11 ARG 33 1HH1 ARG 33 -6.128 2.600 5.776
239 HH12 ARG 33 2HH1 ARG 33 -7.423 3.649 6.252
240 HH21 ARG 33 1HH2 ARG 33 -9.899 1.818 4.596
241 HH22 ARG 33 2HH2 ARG 33 -9.567 3.202 5.581
242 H THR 34 H THR 34 -2.691 4.618 3.070
243 HA THR 34 HA THR 34 -4.037 7.054 3.703
244 HB THR 34 HB THR 34 -2.054 6.269 4.961
245 HG1 THR 34 HG1 THR 34 -1.422 8.746 3.732
246 HG21 THR 34 3HG2 THR 34 0.087 6.175 4.077
247 HG22 THR 34 1HG2 THR 34 -0.312 7.234 2.725
248 HG23 THR 34 2HG2 THR 34 -0.887 5.567 2.739
249 H HIS 35 H HIS 35 -1.974 5.969 1.060
250 HA HIS 35 HA HIS 35 -1.621 8.494 -0.161
251 HB2 HIS 35 1HB HIS 35 -1.253 5.656 -0.988
252 HB3 HIS 35 2HB HIS 35 -1.322 6.875 -2.258
253 HD1 HIS 35 HD1 HIS 35 0.434 8.982 -1.760
254 HD2 HIS 35 HD2 HIS 35 1.241 5.295 -0.023
255 HE1 HIS 35 HE1 HIS 35 2.875 9.043 -1.156
256 H SER 36 H SER 36 -4.105 6.026 -0.421
257 HA SER 36 HA SER 36 -5.451 7.458 -2.567
258 HB2 SER 36 1HB SER 36 -5.254 4.853 -2.242
259 HB3 SER 36 2HB SER 36 -6.644 5.085 -1.182
260 HG SER 36 HG SER 36 -6.859 4.719 -3.649
261 H GLY 37 H GLY 37 -5.766 9.374 -1.182
262 HA2 GLY 37 1HA GLY 37 -7.793 10.519 -0.485
263 HA3 GLY 37 2HA GLY 37 -8.232 9.073 0.411
264 H GLU 38 H GLU 38 -6.816 12.120 0.586
265 HA GLU 38 HA GLU 38 -5.899 11.555 3.322
266 HB2 GLU 38 1HB GLU 38 -4.002 11.830 1.648
267 HB3 GLU 38 2HB GLU 38 -4.508 13.506 1.492
268 HG2 GLU 38 1HG GLU 38 -4.284 13.488 4.103
269 HG3 GLU 38 2HG GLU 38 -3.221 12.118 3.785
270 H SER 39 H SER 39 -6.586 12.954 4.838
271 HA SER 39 HA SER 39 -8.598 14.850 4.170
272 HB2 SER 39 1HB SER 39 -8.578 15.376 6.598
273 HB3 SER 39 2HB SER 39 -8.688 13.644 6.284
274 HG SER 39 HG SER 39 -6.697 15.091 7.505
275 H GLY 40 H GLY 40 -7.153 16.050 2.631
276 HA2 GLY 40 1HA GLY 40 -5.141 17.770 3.789
277 HA3 GLY 40 2HA GLY 40 -5.680 17.769 2.116
278 HA PRO 41 HA PRO 41 -7.999 21.423 2.785
279 HB2 PRO 41 1HB PRO 41 -10.192 21.015 1.238
280 HB3 PRO 41 2HB PRO 41 -8.590 21.341 0.566
281 HG2 PRO 41 1HG PRO 41 -10.006 18.725 0.904
282 HG3 PRO 41 2HG PRO 41 -9.062 19.317 -0.476
283 HD2 PRO 41 1HD PRO 41 -8.052 17.586 1.345
284 HD3 PRO 41 2HD PRO 41 -7.048 18.793 0.515
285 H SER 42 H SER 42 -10.369 22.179 3.227
286 HA SER 42 HA SER 42 -11.145 21.353 5.726
287 HB2 SER 42 1HB SER 42 -13.254 22.522 5.337
288 HB3 SER 42 2HB SER 42 -11.919 23.439 4.639
289 HG SER 42 HG SER 42 -12.521 22.764 2.619
290 H SER 43 H SER 43 -11.505 19.272 6.220
291 HA SER 43 HA SER 43 -13.450 17.783 4.582
292 HB2 SER 43 1HB SER 43 -12.367 15.734 5.629
293 HB3 SER 43 2HB SER 43 -11.365 16.634 4.490
294 HG SER 43 HG SER 43 -10.617 15.971 6.813
295 H GLY 44 H GLY 44 -14.237 19.621 6.605
296 HA2 GLY 44 1HA GLY 44 -16.096 18.066 8.024
297 HA3 GLY 44 2HA GLY 44 -14.749 18.424 9.095
Start of MODEL 15
1 H1 GLY 1 H GLY 1 29.679 14.387 -10.209
2 HA2 GLY 1 1HA GLY 1 27.099 13.464 -10.298
3 HA3 GLY 1 2HA GLY 1 28.502 12.409 -10.202
4 H SER 2 H SER 2 25.723 13.535 -8.618
5 HA SER 2 HA SER 2 26.609 12.573 -6.002
6 HB2 SER 2 1HB SER 2 24.551 13.551 -5.137
7 HB3 SER 2 2HB SER 2 25.393 14.734 -6.137
8 HG SER 2 HG SER 2 23.896 13.634 -7.842
9 H SER 3 H SER 3 26.425 10.591 -7.927
10 HA SER 3 HA SER 3 23.906 9.269 -7.902
11 HB2 SER 3 1HB SER 3 25.867 8.993 -9.570
12 HB3 SER 3 2HB SER 3 26.529 7.872 -8.381
13 HG SER 3 HG SER 3 25.067 7.038 -10.131
14 H GLY 4 H GLY 4 23.223 7.482 -6.725
15 HA2 GLY 4 1HA GLY 4 24.787 6.950 -4.274
16 HA3 GLY 4 2HA GLY 4 23.030 6.988 -4.316
17 H SER 5 H SER 5 21.985 5.121 -4.567
18 HA SER 5 HA SER 5 23.138 2.927 -6.044
19 HB2 SER 5 1HB SER 5 22.933 1.341 -4.089
20 HB3 SER 5 2HB SER 5 24.253 2.504 -3.963
21 HG SER 5 HG SER 5 22.604 3.802 -2.748
22 H SER 6 H SER 6 21.439 2.480 -7.287
23 HA SER 6 HA SER 6 18.772 2.366 -6.049
24 HB2 SER 6 1HB SER 6 19.578 2.704 -8.948
25 HB3 SER 6 2HB SER 6 17.913 2.551 -8.386
26 HG SER 6 HG SER 6 18.205 4.689 -8.421
27 H GLY 7 H GLY 7 17.278 0.736 -7.183
28 HA2 GLY 7 1HA GLY 7 16.844 -1.411 -7.961
29 HA3 GLY 7 2HA GLY 7 18.570 -1.646 -8.192
30 H THR 8 H THR 8 19.258 -0.888 -5.468
31 HA THR 8 HA THR 8 19.568 -3.213 -4.191
32 HB THR 8 HB THR 8 18.759 -0.655 -2.793
33 HG1 THR 8 HG1 THR 8 21.241 -0.754 -2.575
34 HG21 THR 8 3HG2 THR 8 18.657 -2.216 -1.096
35 HG22 THR 8 1HG2 THR 8 20.356 -1.751 -1.026
36 HG23 THR 8 2HG2 THR 8 19.884 -3.249 -1.828
37 H ARG 9 H ARG 9 16.617 -1.251 -3.997
38 HA ARG 9 HA ARG 9 15.104 -2.469 -2.151
39 HB2 ARG 9 1HB ARG 9 14.311 -1.616 -4.930
40 HB3 ARG 9 2HB ARG 9 13.132 -2.176 -3.752
41 HG2 ARG 9 1HG ARG 9 13.449 -0.338 -2.371
42 HG3 ARG 9 2HG ARG 9 15.016 0.048 -3.084
43 HD2 ARG 9 1HD ARG 9 12.434 0.208 -4.621
44 HD3 ARG 9 2HD ARG 9 13.089 1.568 -3.709
45 HE ARG 9 HE ARG 9 15.165 0.917 -5.256
46 HH11 ARG 9 1HH1 ARG 9 11.793 1.348 -6.005
47 HH12 ARG 9 2HH1 ARG 9 12.087 1.887 -7.625
48 HH21 ARG 9 1HH2 ARG 9 15.566 1.626 -7.387
49 HH22 ARG 9 2HH2 ARG 9 14.234 2.044 -8.410
50 H GLU 10 H GLU 10 14.885 -4.542 -1.643
51 HA GLU 10 HA GLU 10 14.948 -6.569 -3.744
52 HB2 GLU 10 1HB GLU 10 15.029 -6.809 -0.732
53 HB3 GLU 10 2HB GLU 10 15.083 -8.173 -1.840
54 HG2 GLU 10 1HG GLU 10 17.093 -5.949 -1.938
55 HG3 GLU 10 2HG GLU 10 17.289 -7.359 -0.898
56 H LYS 11 H LYS 11 12.854 -5.374 -1.165
57 HA LYS 11 HA LYS 11 10.828 -7.168 -1.083
58 HB2 LYS 11 1HB LYS 11 10.943 -4.214 -0.856
59 HB3 LYS 11 2HB LYS 11 9.346 -4.917 -1.078
60 HG2 LYS 11 1HG LYS 11 9.603 -4.768 1.232
61 HG3 LYS 11 2HG LYS 11 9.944 -6.460 0.864
62 HD2 LYS 11 1HD LYS 11 11.725 -6.019 2.217
63 HD3 LYS 11 2HD LYS 11 12.421 -5.524 0.672
64 HE2 LYS 11 1HE LYS 11 10.917 -3.486 2.215
65 HE3 LYS 11 2HE LYS 11 12.491 -3.978 2.839
66 HZ1 LYS 11 3HZ LYS 11 12.138 -2.067 1.007
67 HZ2 LYS 11 1HZ LYS 11 12.415 -3.400 0.003
68 HZ3 LYS 11 2HZ LYS 11 13.563 -2.965 1.167
69 HA PRO 12 HA PRO 12 9.322 -7.509 -5.232
70 HB2 PRO 12 1HB PRO 12 7.083 -8.935 -4.661
71 HB3 PRO 12 2HB PRO 12 8.702 -9.646 -4.658
72 HG2 PRO 12 1HG PRO 12 7.049 -8.686 -2.353
73 HG3 PRO 12 2HG PRO 12 8.029 -10.158 -2.491
74 HD2 PRO 12 1HD PRO 12 8.891 -7.951 -1.180
75 HD3 PRO 12 2HD PRO 12 9.995 -9.041 -2.043
76 H TYR 13 H TYR 13 6.911 -6.794 -2.698
77 HA TYR 13 HA TYR 13 5.172 -5.428 -4.511
78 HB2 TYR 13 1HB TYR 13 5.202 -5.472 -1.487
79 HB3 TYR 13 2HB TYR 13 3.898 -4.831 -2.480
80 HD1 TYR 13 HD2 TYR 13 2.556 -6.383 -3.897
81 HD2 TYR 13 HD1 TYR 13 5.409 -7.806 -1.080
82 HE1 TYR 13 HE2 TYR 13 1.520 -8.611 -3.983
83 HE2 TYR 13 HE1 TYR 13 4.382 -10.039 -1.158
84 HH TYR 13 HH TYR 13 2.264 -11.005 -3.534
85 H GLU 14 H GLU 14 5.063 -3.320 -5.010
86 HA GLU 14 HA GLU 14 6.677 -1.421 -3.453
87 HB2 GLU 14 1HB GLU 14 6.877 -2.072 -6.338
88 HB3 GLU 14 2HB GLU 14 6.956 -0.368 -5.913
89 HG2 GLU 14 1HG GLU 14 8.959 -0.574 -4.865
90 HG3 GLU 14 2HG GLU 14 8.657 -2.239 -4.373
91 H CYS 15 H CYS 15 5.900 0.689 -3.370
92 HA CYS 15 HA CYS 15 3.062 0.945 -3.741
93 HB2 CYS 15 1HB CYS 15 4.347 1.916 -1.804
94 HB3 CYS 15 2HB CYS 15 5.023 3.095 -2.924
95 H SER 16 H SER 16 2.031 1.759 -5.439
96 HA SER 16 HA SER 16 3.546 2.770 -7.682
97 HB2 SER 16 1HB SER 16 1.396 2.751 -8.868
98 HB3 SER 16 2HB SER 16 1.667 1.217 -8.042
99 HG SER 16 HG SER 16 0.423 2.615 -6.289
100 H GLU 17 H GLU 17 2.941 4.256 -5.007
101 HA GLU 17 HA GLU 17 1.926 6.738 -6.225
102 HB2 GLU 17 1HB GLU 17 2.090 6.117 -3.276
103 HB3 GLU 17 2HB GLU 17 1.238 7.449 -4.044
104 HG2 GLU 17 1HG GLU 17 0.466 4.682 -4.787
105 HG3 GLU 17 2HG GLU 17 -0.016 5.290 -3.204
106 H CYS 18 H CYS 18 4.396 5.434 -4.044
107 HA CYS 18 HA CYS 18 6.041 7.808 -4.629
108 HB2 CYS 18 1HB CYS 18 7.046 7.565 -2.392
109 HB3 CYS 18 2HB CYS 18 5.312 7.857 -2.299
110 H GLY 19 H GLY 19 5.956 4.339 -4.034
111 HA2 GLY 19 1HA GLY 19 7.371 3.006 -5.563
112 HA3 GLY 19 2HA GLY 19 8.655 4.160 -5.229
113 H LYS 20 H LYS 20 6.834 3.539 -2.473
114 HA LYS 20 HA LYS 20 8.882 2.525 -0.950
115 HB2 LYS 20 1HB LYS 20 6.488 3.335 -0.295
116 HB3 LYS 20 2HB LYS 20 6.065 1.633 -0.435
117 HG2 LYS 20 1HG LYS 20 7.257 1.039 1.411
118 HG3 LYS 20 2HG LYS 20 8.432 2.341 1.208
119 HD2 LYS 20 1HD LYS 20 6.908 3.957 2.065
120 HD3 LYS 20 2HD LYS 20 5.568 2.809 2.016
121 HE2 LYS 20 1HE LYS 20 6.147 2.805 4.257
122 HE3 LYS 20 2HE LYS 20 7.031 1.412 3.634
123 HZ1 LYS 20 3HZ LYS 20 8.560 3.808 3.427
124 HZ2 LYS 20 1HZ LYS 20 8.954 2.344 4.179
125 HZ3 LYS 20 2HZ LYS 20 8.085 3.522 5.026
126 H ALA 21 H ALA 21 8.541 0.255 0.249
127 HA ALA 21 HA ALA 21 8.045 -1.858 -1.709
128 HB1 ALA 21 3HB ALA 21 10.516 -2.228 -0.149
129 HB2 ALA 21 1HB ALA 21 10.147 -2.663 -1.818
130 HB3 ALA 21 2HB ALA 21 10.580 -1.001 -1.414
131 H PHE 22 H PHE 22 7.668 -3.919 -0.792
132 HA PHE 22 HA PHE 22 7.600 -4.148 2.106
133 HB2 PHE 22 1HB PHE 22 5.103 -4.496 0.434
134 HB3 PHE 22 2HB PHE 22 5.238 -4.802 2.162
135 HD1 PHE 22 HD1 PHE 22 5.351 -2.165 -0.420
136 HD2 PHE 22 HD2 PHE 22 5.034 -3.058 3.729
137 HE1 PHE 22 HE1 PHE 22 4.749 0.177 0.034
138 HE2 PHE 22 HE2 PHE 22 4.430 -0.718 4.190
139 HZ PHE 22 HZ PHE 22 4.286 0.903 2.342
140 H ILE 23 H ILE 23 6.743 -6.404 2.720
141 HA ILE 23 HA ILE 23 8.054 -8.324 0.941
142 HB ILE 23 HB ILE 23 7.158 -8.654 3.807
143 HG12 ILE 23 1HG1 ILE 23 9.983 -8.460 2.767
144 HG13 ILE 23 2HG1 ILE 23 9.082 -7.049 3.311
145 HG21 ILE 23 1HG2 ILE 23 8.915 -10.623 3.465
146 HG22 ILE 23 2HG2 ILE 23 7.195 -10.822 3.134
147 HG23 ILE 23 3HG2 ILE 23 8.317 -10.509 1.810
148 HD11 ILE 23 3HD1 ILE 23 10.170 -7.556 5.230
149 HD12 ILE 23 1HD1 ILE 23 8.740 -8.563 5.454
150 HD13 ILE 23 2HD1 ILE 23 10.241 -9.281 4.868
151 H ARG 24 H ARG 24 4.979 -7.696 2.544
152 HA ARG 24 HA ARG 24 3.765 -9.801 0.877
153 HB2 ARG 24 1HB ARG 24 2.859 -8.945 3.631
154 HB3 ARG 24 2HB ARG 24 2.141 -10.210 2.644
155 HG2 ARG 24 1HG ARG 24 4.591 -11.188 2.739
156 HG3 ARG 24 2HG ARG 24 4.656 -10.223 4.216
157 HD2 ARG 24 1HD ARG 24 2.992 -11.454 5.248
158 HD3 ARG 24 2HD ARG 24 2.326 -12.025 3.719
159 HE ARG 24 HE ARG 24 4.366 -13.272 5.268
160 HH11 ARG 24 1HH1 ARG 24 3.253 -12.753 2.010
161 HH12 ARG 24 2HH1 ARG 24 3.978 -14.201 1.393
162 HH21 ARG 24 1HH2 ARG 24 5.325 -15.180 4.467
163 HH22 ARG 24 2HH2 ARG 24 5.155 -15.581 2.792
164 H ASN 25 H ASN 25 2.022 -9.248 -0.314
165 HA ASN 25 HA ASN 25 1.474 -6.712 -1.101
166 HB2 ASN 25 1HB ASN 25 0.519 -9.037 -1.893
167 HB3 ASN 25 2HB ASN 25 -0.842 -8.593 -0.867
168 HD21 ASN 25 1HD2 ASN 25 -0.747 -5.809 -1.302
169 HD22 ASN 25 2HD2 ASN 25 -1.245 -5.509 -2.929
170 H SER 26 H SER 26 -0.410 -8.473 1.364
171 HA SER 26 HA SER 26 -2.222 -6.595 2.104
172 HB2 SER 26 1HB SER 26 -0.684 -8.585 3.755
173 HB3 SER 26 2HB SER 26 -1.872 -7.519 4.504
174 HG SER 26 HG SER 26 -3.175 -8.413 2.530
175 H GLN 27 H GLN 27 1.196 -6.642 2.923
176 HA GLN 27 HA GLN 27 1.139 -4.554 4.826
177 HB2 GLN 27 1HB GLN 27 3.424 -5.379 3.027
178 HB3 GLN 27 2HB GLN 27 3.553 -4.441 4.510
179 HG2 GLN 27 1HG GLN 27 2.279 -7.117 4.657
180 HG3 GLN 27 2HG GLN 27 4.027 -7.033 4.449
181 HE21 GLN 27 1HE2 GLN 27 4.775 -7.602 6.388
182 HE22 GLN 27 2HE2 GLN 27 4.378 -6.819 7.876
183 H LEU 28 H LEU 28 1.760 -4.578 1.334
184 HA LEU 28 HA LEU 28 2.321 -1.828 1.087
185 HB2 LEU 28 1HB LEU 28 2.998 -3.096 -0.723
186 HB3 LEU 28 2HB LEU 28 1.478 -3.985 -0.798
187 HG LEU 28 HG LEU 28 0.382 -1.964 -1.707
188 HD11 LEU 28 1HD1 LEU 28 1.877 -0.160 -2.572
189 HD12 LEU 28 2HD1 LEU 28 3.182 -0.859 -1.613
190 HD13 LEU 28 3HD1 LEU 28 1.744 -0.222 -0.815
191 HD21 LEU 28 3HD2 LEU 28 0.828 -3.142 -3.552
192 HD22 LEU 28 1HD2 LEU 28 2.459 -3.540 -3.011
193 HD23 LEU 28 2HD2 LEU 28 2.147 -1.999 -3.809
194 H ILE 29 H ILE 29 -0.670 -3.623 0.340
195 HA ILE 29 HA ILE 29 -2.335 -1.624 -0.418
196 HB ILE 29 HB ILE 29 -3.048 -3.870 1.471
197 HG12 ILE 29 1HG1 ILE 29 -3.475 -3.754 -1.512
198 HG13 ILE 29 2HG1 ILE 29 -2.007 -4.418 -0.802
199 HG21 ILE 29 1HG2 ILE 29 -5.331 -3.542 0.830
200 HG22 ILE 29 2HG2 ILE 29 -4.695 -2.003 1.407
201 HG23 ILE 29 3HG2 ILE 29 -4.879 -2.288 -0.324
202 HD11 ILE 29 3HD1 ILE 29 -4.042 -5.695 0.561
203 HD12 ILE 29 1HD1 ILE 29 -4.622 -5.606 -1.102
204 HD13 ILE 29 2HD1 ILE 29 -3.068 -6.361 -0.750
205 H VAL 30 H VAL 30 -1.656 -2.536 2.954
206 HA VAL 30 HA VAL 30 -3.293 -0.676 4.215
207 HB VAL 30 HB VAL 30 -0.617 -1.699 5.176
208 HG11 VAL 30 1HG1 VAL 30 -1.970 0.353 6.260
209 HG12 VAL 30 2HG1 VAL 30 -2.761 -0.996 7.079
210 HG13 VAL 30 3HG1 VAL 30 -1.014 -0.788 7.205
211 HG21 VAL 30 3HG2 VAL 30 -2.567 -3.323 4.529
212 HG22 VAL 30 1HG2 VAL 30 -1.666 -3.562 6.026
213 HG23 VAL 30 2HG2 VAL 30 -3.250 -2.788 6.064
214 H HIS 31 H HIS 31 -0.021 -0.329 2.951
215 HA HIS 31 HA HIS 31 0.384 2.295 4.005
216 HB2 HIS 31 1HB HIS 31 2.326 0.982 3.523
217 HB3 HIS 31 2HB HIS 31 1.807 0.712 1.862
218 HD1 HIS 31 HD1 HIS 31 3.041 3.510 4.096
219 HD2 HIS 31 HD2 HIS 31 2.712 2.559 0.065
220 HE1 HIS 31 HE1 HIS 31 4.272 5.330 2.873
221 H GLN 32 H GLN 32 -1.233 1.019 1.258
222 HA GLN 32 HA GLN 32 -1.091 3.426 -0.318
223 HB2 GLN 32 1HB GLN 32 -2.692 0.884 -0.585
224 HB3 GLN 32 2HB GLN 32 -2.846 2.230 -1.706
225 HG2 GLN 32 1HG GLN 32 -0.314 2.007 -2.018
226 HG3 GLN 32 2HG GLN 32 -0.496 0.435 -1.241
227 HE21 GLN 32 1HE2 GLN 32 0.007 1.608 -4.093
228 HE22 GLN 32 2HE2 GLN 32 -0.973 0.592 -5.088
229 H ARG 33 H ARG 33 -3.007 2.284 2.261
230 HA ARG 33 HA ARG 33 -5.462 3.537 1.711
231 HB2 ARG 33 1HB ARG 33 -4.174 2.940 4.381
232 HB3 ARG 33 2HB ARG 33 -5.863 3.367 4.144
233 HG2 ARG 33 1HG ARG 33 -6.036 1.333 2.656
234 HG3 ARG 33 2HG ARG 33 -4.443 0.875 3.260
235 HD2 ARG 33 1HD ARG 33 -5.824 -0.256 4.714
236 HD3 ARG 33 2HD ARG 33 -5.538 1.242 5.598
237 HE ARG 33 HE ARG 33 -8.020 0.403 4.332
238 HH11 ARG 33 1HH1 ARG 33 -6.218 2.903 5.950
239 HH12 ARG 33 2HH1 ARG 33 -7.625 3.814 6.391
240 HH21 ARG 33 1HH2 ARG 33 -9.880 1.593 4.906
241 HH22 ARG 33 2HH2 ARG 33 -9.707 3.067 5.797
242 H THR 34 H THR 34 -2.473 4.724 3.108
243 HA THR 34 HA THR 34 -3.555 7.211 4.014
244 HB THR 34 HB THR 34 -1.479 6.192 4.955
245 HG1 THR 34 HG1 THR 34 -0.270 8.373 4.614
246 HG21 THR 34 3HG2 THR 34 -0.693 5.881 2.371
247 HG22 THR 34 1HG2 THR 34 0.398 5.839 3.755
248 HG23 THR 34 2HG2 THR 34 0.205 7.328 2.829
249 H HIS 35 H HIS 35 -2.080 6.066 1.052
250 HA HIS 35 HA HIS 35 -1.645 8.640 -0.094
251 HB2 HIS 35 1HB HIS 35 -1.545 5.823 -1.047
252 HB3 HIS 35 2HB HIS 35 -1.723 7.082 -2.266
253 HD1 HIS 35 HD1 HIS 35 0.188 9.089 -1.959
254 HD2 HIS 35 HD2 HIS 35 1.035 5.315 -0.441
255 HE1 HIS 35 HE1 HIS 35 2.688 9.017 -1.692
256 H SER 36 H SER 36 -4.299 6.346 -0.099
257 HA SER 36 HA SER 36 -5.808 7.474 -2.188
258 HB2 SER 36 1HB SER 36 -6.375 5.651 0.099
259 HB3 SER 36 2HB SER 36 -7.752 6.413 -0.696
260 HG SER 36 HG SER 36 -7.361 5.307 -2.482
261 H GLY 37 H GLY 37 -8.138 8.342 -1.631
262 HA2 GLY 37 1HA GLY 37 -9.365 9.748 -0.027
263 HA3 GLY 37 2HA GLY 37 -7.825 10.498 0.366
264 H GLU 38 H GLU 38 -8.486 12.577 -0.136
265 HA GLU 38 HA GLU 38 -9.722 13.240 -2.619
266 HB2 GLU 38 1HB GLU 38 -9.939 14.583 -0.521
267 HB3 GLU 38 2HB GLU 38 -8.263 15.077 -0.715
268 HG2 GLU 38 1HG GLU 38 -9.997 16.713 -1.505
269 HG3 GLU 38 2HG GLU 38 -8.740 16.298 -2.669
270 H SER 39 H SER 39 -6.479 13.987 -1.330
271 HA SER 39 HA SER 39 -5.499 14.031 -4.111
272 HB2 SER 39 1HB SER 39 -3.936 15.769 -3.514
273 HB3 SER 39 2HB SER 39 -5.544 16.280 -3.000
274 HG SER 39 HG SER 39 -4.713 15.097 -0.928
275 H GLY 40 H GLY 40 -3.972 12.592 -4.580
276 HA2 GLY 40 1HA GLY 40 -1.988 11.806 -2.632
277 HA3 GLY 40 2HA GLY 40 -3.128 10.533 -3.039
278 HA PRO 41 HA PRO 41 -0.945 9.486 -6.689
279 HB2 PRO 41 1HB PRO 41 -2.838 9.350 -8.631
280 HB3 PRO 41 2HB PRO 41 -2.709 8.161 -7.330
281 HG2 PRO 41 1HG PRO 41 -4.552 10.507 -7.577
282 HG3 PRO 41 2HG PRO 41 -4.906 8.859 -7.026
283 HD2 PRO 41 1HD PRO 41 -4.529 10.920 -5.310
284 HD3 PRO 41 2HD PRO 41 -4.070 9.251 -4.914
285 H SER 42 H SER 42 0.367 11.317 -6.986
286 HA SER 42 HA SER 42 -0.658 13.425 -8.746
287 HB2 SER 42 1HB SER 42 1.810 13.263 -7.008
288 HB3 SER 42 2HB SER 42 1.498 14.590 -8.126
289 HG SER 42 HG SER 42 0.789 14.877 -5.871
290 H SER 43 H SER 43 -0.624 12.150 -10.660
291 HA SER 43 HA SER 43 2.088 11.666 -11.709
292 HB2 SER 43 1HB SER 43 0.609 9.620 -11.329
293 HB3 SER 43 2HB SER 43 -0.395 10.227 -12.645
294 HG SER 43 HG SER 43 1.010 9.450 -13.984
295 H GLY 44 H GLY 44 2.219 11.796 -14.122
296 HA2 GLY 44 1HA GLY 44 0.238 13.241 -15.577
297 HA3 GLY 44 2HA GLY 44 1.536 14.305 -15.054
Start of MODEL 16
1 H1 GLY 1 H GLY 1 26.885 20.716 5.234
2 HA2 GLY 1 1HA GLY 1 25.764 19.101 6.919
3 HA3 GLY 1 2HA GLY 1 24.310 19.540 6.034
4 H SER 2 H SER 2 24.904 16.935 6.141
5 HA SER 2 HA SER 2 26.241 16.294 3.603
6 HB2 SER 2 1HB SER 2 25.838 14.806 6.159
7 HB3 SER 2 2HB SER 2 25.936 13.875 4.664
8 HG SER 2 HG SER 2 28.003 14.074 5.377
9 H SER 3 H SER 3 25.261 14.225 2.566
10 HA SER 3 HA SER 3 22.387 14.006 2.795
11 HB2 SER 3 1HB SER 3 23.716 15.347 0.463
12 HB3 SER 3 2HB SER 3 22.237 14.420 0.214
13 HG SER 3 HG SER 3 21.339 16.246 0.779
14 H GLY 4 H GLY 4 22.207 11.864 2.906
15 HA2 GLY 4 1HA GLY 4 23.878 10.215 1.126
16 HA3 GLY 4 2HA GLY 4 23.143 9.662 2.623
17 H SER 5 H SER 5 22.959 8.380 0.074
18 HA SER 5 HA SER 5 20.046 8.351 -0.181
19 HB2 SER 5 1HB SER 5 21.969 8.702 -2.488
20 HB3 SER 5 2HB SER 5 20.285 8.217 -2.689
21 HG SER 5 HG SER 5 20.022 10.265 -1.250
22 H SER 6 H SER 6 19.410 6.461 -1.709
23 HA SER 6 HA SER 6 21.257 4.230 -1.681
24 HB2 SER 6 1HB SER 6 18.867 4.384 0.127
25 HB3 SER 6 2HB SER 6 19.388 2.824 -0.508
26 HG SER 6 HG SER 6 21.574 3.712 0.315
27 H GLY 7 H GLY 7 20.380 2.328 -2.798
28 HA2 GLY 7 1HA GLY 7 17.932 2.671 -4.309
29 HA3 GLY 7 2HA GLY 7 19.401 2.760 -5.269
30 H THR 8 H THR 8 18.654 0.695 -2.485
31 HA THR 8 HA THR 8 19.111 -1.640 -4.225
32 HB THR 8 HB THR 8 19.591 -1.415 -1.247
33 HG1 THR 8 HG1 THR 8 21.119 -0.337 -2.719
34 HG21 THR 8 3HG2 THR 8 20.708 -3.659 -2.798
35 HG22 THR 8 1HG2 THR 8 18.960 -3.684 -2.576
36 HG23 THR 8 2HG2 THR 8 20.026 -3.633 -1.173
37 H ARG 9 H ARG 9 16.964 -1.957 -4.815
38 HA ARG 9 HA ARG 9 15.012 -2.392 -2.679
39 HB2 ARG 9 1HB ARG 9 14.612 -2.308 -5.675
40 HB3 ARG 9 2HB ARG 9 13.339 -2.407 -4.466
41 HG2 ARG 9 1HG ARG 9 13.712 -0.214 -3.730
42 HG3 ARG 9 2HG ARG 9 15.280 -0.123 -4.535
43 HD2 ARG 9 1HD ARG 9 14.343 0.184 -6.618
44 HD3 ARG 9 2HD ARG 9 12.826 -0.591 -6.164
45 HE ARG 9 HE ARG 9 12.914 1.659 -4.632
46 HH11 ARG 9 1HH1 ARG 9 13.143 1.011 -8.044
47 HH12 ARG 9 2HH1 ARG 9 12.449 2.528 -8.512
48 HH21 ARG 9 1HH2 ARG 9 11.998 3.659 -5.234
49 HH22 ARG 9 2HH2 ARG 9 11.798 4.034 -6.913
50 H GLU 10 H GLU 10 14.106 -4.343 -2.240
51 HA GLU 10 HA GLU 10 14.914 -6.631 -3.902
52 HB2 GLU 10 1HB GLU 10 16.339 -6.588 -1.914
53 HB3 GLU 10 2HB GLU 10 14.918 -6.524 -0.881
54 HG2 GLU 10 1HG GLU 10 14.281 -8.730 -1.472
55 HG3 GLU 10 2HG GLU 10 15.475 -8.795 -2.766
56 H LYS 11 H LYS 11 12.665 -5.365 -1.487
57 HA LYS 11 HA LYS 11 10.820 -7.419 -1.393
58 HB2 LYS 11 1HB LYS 11 10.691 -4.476 -0.991
59 HB3 LYS 11 2HB LYS 11 9.164 -5.330 -1.167
60 HG2 LYS 11 1HG LYS 11 9.408 -5.430 1.091
61 HG3 LYS 11 2HG LYS 11 10.236 -6.922 0.638
62 HD2 LYS 11 1HD LYS 11 12.386 -5.771 0.743
63 HD3 LYS 11 2HD LYS 11 11.568 -4.264 1.162
64 HE2 LYS 11 1HE LYS 11 11.037 -4.988 3.284
65 HE3 LYS 11 2HE LYS 11 11.103 -6.691 2.834
66 HZ1 LYS 11 3HZ LYS 11 13.038 -6.517 3.981
67 HZ2 LYS 11 1HZ LYS 11 13.271 -4.885 3.598
68 HZ3 LYS 11 2HZ LYS 11 13.619 -6.081 2.453
69 HA PRO 12 HA PRO 12 9.167 -7.602 -5.485
70 HB2 PRO 12 1HB PRO 12 6.952 -9.067 -4.921
71 HB3 PRO 12 2HB PRO 12 8.576 -9.763 -4.976
72 HG2 PRO 12 1HG PRO 12 6.964 -8.903 -2.605
73 HG3 PRO 12 2HG PRO 12 7.952 -10.359 -2.816
74 HD2 PRO 12 1HD PRO 12 8.824 -8.194 -1.444
75 HD3 PRO 12 2HD PRO 12 9.918 -9.242 -2.368
76 H TYR 13 H TYR 13 7.062 -6.712 -2.773
77 HA TYR 13 HA TYR 13 5.184 -5.379 -4.534
78 HB2 TYR 13 1HB TYR 13 5.280 -5.538 -1.514
79 HB3 TYR 13 2HB TYR 13 3.958 -4.860 -2.457
80 HD1 TYR 13 HD2 TYR 13 2.506 -6.329 -3.794
81 HD2 TYR 13 HD1 TYR 13 5.564 -7.914 -1.298
82 HE1 TYR 13 HE2 TYR 13 1.460 -8.551 -3.935
83 HE2 TYR 13 HE1 TYR 13 4.528 -10.141 -1.432
84 HH TYR 13 HH TYR 13 2.947 -11.381 -2.402
85 H GLU 14 H GLU 14 5.089 -3.253 -4.947
86 HA GLU 14 HA GLU 14 6.730 -1.426 -3.337
87 HB2 GLU 14 1HB GLU 14 6.947 -1.996 -6.236
88 HB3 GLU 14 2HB GLU 14 7.022 -0.302 -5.770
89 HG2 GLU 14 1HG GLU 14 9.019 -0.530 -4.718
90 HG3 GLU 14 2HG GLU 14 8.713 -2.204 -4.258
91 H CYS 15 H CYS 15 5.953 0.666 -3.149
92 HA CYS 15 HA CYS 15 3.132 0.971 -3.494
93 HB2 CYS 15 1HB CYS 15 4.483 1.929 -1.592
94 HB3 CYS 15 2HB CYS 15 5.125 3.109 -2.730
95 H SER 16 H SER 16 2.048 1.857 -5.129
96 HA SER 16 HA SER 16 3.512 2.827 -7.428
97 HB2 SER 16 1HB SER 16 1.599 1.322 -7.750
98 HB3 SER 16 2HB SER 16 0.533 2.501 -6.987
99 HG SER 16 HG SER 16 2.032 2.924 -9.362
100 H GLU 17 H GLU 17 2.961 4.305 -4.711
101 HA GLU 17 HA GLU 17 2.001 6.819 -5.904
102 HB2 GLU 17 1HB GLU 17 2.188 6.184 -2.960
103 HB3 GLU 17 2HB GLU 17 1.347 7.530 -3.715
104 HG2 GLU 17 1HG GLU 17 0.531 4.763 -4.427
105 HG3 GLU 17 2HG GLU 17 0.055 5.414 -2.860
106 H CYS 18 H CYS 18 4.450 5.462 -3.727
107 HA CYS 18 HA CYS 18 6.127 7.822 -4.282
108 HB2 CYS 18 1HB CYS 18 7.194 7.448 -2.094
109 HB3 CYS 18 2HB CYS 18 5.467 7.744 -1.931
110 H GLY 19 H GLY 19 6.017 4.327 -3.885
111 HA2 GLY 19 1HA GLY 19 7.351 3.023 -5.477
112 HA3 GLY 19 2HA GLY 19 8.645 4.186 -5.229
113 H LYS 20 H LYS 20 6.989 3.450 -2.374
114 HA LYS 20 HA LYS 20 9.196 2.433 -1.040
115 HB2 LYS 20 1HB LYS 20 6.726 3.217 -0.279
116 HB3 LYS 20 2HB LYS 20 6.550 1.474 -0.119
117 HG2 LYS 20 1HG LYS 20 8.875 1.769 1.151
118 HG3 LYS 20 2HG LYS 20 8.192 3.370 1.444
119 HD2 LYS 20 1HD LYS 20 6.126 2.252 2.290
120 HD3 LYS 20 2HD LYS 20 6.965 0.705 2.146
121 HE2 LYS 20 1HE LYS 20 7.363 2.920 4.082
122 HE3 LYS 20 2HE LYS 20 7.406 1.175 4.335
123 HZ1 LYS 20 3HZ LYS 20 9.531 2.960 3.363
124 HZ2 LYS 20 1HZ LYS 20 9.540 1.332 2.901
125 HZ3 LYS 20 2HZ LYS 20 9.605 1.747 4.540
126 H ALA 21 H ALA 21 8.734 0.149 0.232
127 HA ALA 21 HA ALA 21 8.181 -1.910 -1.780
128 HB1 ALA 21 3HB ALA 21 10.256 -2.734 -1.857
129 HB2 ALA 21 1HB ALA 21 10.756 -1.185 -1.179
130 HB3 ALA 21 2HB ALA 21 10.484 -2.566 -0.116
131 H PHE 22 H PHE 22 7.659 -3.972 -0.917
132 HA PHE 22 HA PHE 22 7.379 -4.229 1.964
133 HB2 PHE 22 1HB PHE 22 4.965 -4.501 0.164
134 HB3 PHE 22 2HB PHE 22 5.004 -4.681 1.915
135 HD1 PHE 22 HD1 PHE 22 5.591 -2.213 -0.797
136 HD2 PHE 22 HD2 PHE 22 4.593 -2.857 3.290
137 HE1 PHE 22 HE1 PHE 22 5.087 0.182 -0.546
138 HE2 PHE 22 HE2 PHE 22 4.086 -0.464 3.547
139 HZ PHE 22 HZ PHE 22 4.332 1.059 1.628
140 H ILE 23 H ILE 23 6.935 -6.391 2.652
141 HA ILE 23 HA ILE 23 8.091 -8.359 0.902
142 HB ILE 23 HB ILE 23 6.936 -8.630 3.679
143 HG12 ILE 23 1HG1 ILE 23 9.838 -8.770 2.895
144 HG13 ILE 23 2HG1 ILE 23 9.062 -7.227 3.237
145 HG21 ILE 23 1HG2 ILE 23 8.751 -10.708 3.117
146 HG22 ILE 23 2HG2 ILE 23 7.016 -10.829 3.403
147 HG23 ILE 23 3HG2 ILE 23 7.626 -10.631 1.761
148 HD11 ILE 23 3HD1 ILE 23 9.340 -9.555 5.121
149 HD12 ILE 23 1HD1 ILE 23 10.207 -8.022 5.194
150 HD13 ILE 23 2HD1 ILE 23 8.467 -8.065 5.475
151 H ARG 24 H ARG 24 4.898 -7.743 2.298
152 HA ARG 24 HA ARG 24 3.775 -9.644 0.351
153 HB2 ARG 24 1HB ARG 24 2.805 -9.212 3.183
154 HB3 ARG 24 2HB ARG 24 2.073 -10.281 1.995
155 HG2 ARG 24 1HG ARG 24 4.914 -10.606 2.904
156 HG3 ARG 24 2HG ARG 24 3.555 -11.348 3.750
157 HD2 ARG 24 1HD ARG 24 2.989 -12.676 1.890
158 HD3 ARG 24 2HD ARG 24 3.999 -11.724 0.803
159 HE ARG 24 HE ARG 24 5.494 -12.990 2.891
160 HH11 ARG 24 1HH1 ARG 24 4.058 -13.449 -0.246
161 HH12 ARG 24 2HH1 ARG 24 5.136 -14.729 -0.697
162 HH21 ARG 24 1HH2 ARG 24 6.920 -14.674 2.310
163 HH22 ARG 24 2HH2 ARG 24 6.763 -15.425 0.758
164 H ASN 25 H ASN 25 1.788 -9.095 -0.561
165 HA ASN 25 HA ASN 25 1.307 -6.460 -1.162
166 HB2 ASN 25 1HB ASN 25 0.276 -8.726 -2.080
167 HB3 ASN 25 2HB ASN 25 -1.047 -8.290 -1.003
168 HD21 ASN 25 1HD2 ASN 25 -0.596 -5.431 -1.351
169 HD22 ASN 25 2HD2 ASN 25 -1.206 -5.039 -2.919
170 H SER 26 H SER 26 -0.506 -8.408 1.214
171 HA SER 26 HA SER 26 -2.285 -6.641 2.195
172 HB2 SER 26 1HB SER 26 -2.063 -8.900 3.095
173 HB3 SER 26 2HB SER 26 -0.533 -8.468 3.859
174 HG SER 26 HG SER 26 -1.914 -8.144 5.467
175 H GLN 27 H GLN 27 1.175 -6.629 2.843
176 HA GLN 27 HA GLN 27 1.127 -4.601 4.822
177 HB2 GLN 27 1HB GLN 27 3.422 -5.261 2.976
178 HB3 GLN 27 2HB GLN 27 3.512 -4.510 4.564
179 HG2 GLN 27 1HG GLN 27 2.328 -6.773 5.278
180 HG3 GLN 27 2HG GLN 27 3.137 -7.351 3.822
181 HE21 GLN 27 1HE2 GLN 27 3.497 -7.615 6.875
182 HE22 GLN 27 2HE2 GLN 27 5.198 -7.401 7.086
183 H LEU 28 H LEU 28 2.006 -4.489 1.368
184 HA LEU 28 HA LEU 28 2.445 -1.759 1.164
185 HB2 LEU 28 1HB LEU 28 3.086 -3.047 -0.668
186 HB3 LEU 28 2HB LEU 28 1.511 -3.829 -0.786
187 HG LEU 28 HG LEU 28 0.541 -1.811 -1.708
188 HD11 LEU 28 1HD1 LEU 28 1.862 0.156 -2.184
189 HD12 LEU 28 2HD1 LEU 28 3.294 -0.603 -1.488
190 HD13 LEU 28 3HD1 LEU 28 1.921 -0.200 -0.457
191 HD21 LEU 28 3HD2 LEU 28 3.104 -2.669 -3.042
192 HD22 LEU 28 1HD2 LEU 28 1.865 -1.678 -3.814
193 HD23 LEU 28 2HD2 LEU 28 1.487 -3.324 -3.305
194 H ILE 29 H ILE 29 -0.565 -3.509 0.386
195 HA ILE 29 HA ILE 29 -2.228 -1.490 -0.299
196 HB ILE 29 HB ILE 29 -2.913 -3.777 1.551
197 HG12 ILE 29 1HG1 ILE 29 -3.469 -3.569 -1.403
198 HG13 ILE 29 2HG1 ILE 29 -1.955 -4.229 -0.793
199 HG21 ILE 29 1HG2 ILE 29 -4.828 -2.641 1.831
200 HG22 ILE 29 2HG2 ILE 29 -4.522 -1.588 0.452
201 HG23 ILE 29 3HG2 ILE 29 -5.199 -3.196 0.199
202 HD11 ILE 29 3HD1 ILE 29 -3.101 -6.159 -0.968
203 HD12 ILE 29 1HD1 ILE 29 -3.665 -5.695 0.637
204 HD13 ILE 29 2HD1 ILE 29 -4.669 -5.376 -0.778
205 H VAL 30 H VAL 30 -1.656 -2.519 3.067
206 HA VAL 30 HA VAL 30 -3.213 -0.641 4.362
207 HB VAL 30 HB VAL 30 -0.548 -1.711 5.303
208 HG11 VAL 30 1HG1 VAL 30 -1.020 -0.952 7.411
209 HG12 VAL 30 2HG1 VAL 30 -1.762 0.328 6.449
210 HG13 VAL 30 3HG1 VAL 30 -2.762 -0.951 7.140
211 HG21 VAL 30 3HG2 VAL 30 -2.794 -2.964 6.533
212 HG22 VAL 30 1HG2 VAL 30 -2.980 -3.054 4.781
213 HG23 VAL 30 2HG2 VAL 30 -1.525 -3.691 5.547
214 H HIS 31 H HIS 31 0.018 -0.300 3.021
215 HA HIS 31 HA HIS 31 0.458 2.305 4.146
216 HB2 HIS 31 1HB HIS 31 2.377 0.922 3.666
217 HB3 HIS 31 2HB HIS 31 1.901 0.770 1.977
218 HD1 HIS 31 HD1 HIS 31 3.224 3.328 4.421
219 HD2 HIS 31 HD2 HIS 31 2.812 2.764 0.326
220 HE1 HIS 31 HE1 HIS 31 4.511 5.205 3.351
221 H GLN 32 H GLN 32 -1.172 1.070 1.403
222 HA GLN 32 HA GLN 32 -0.985 3.507 -0.144
223 HB2 GLN 32 1HB GLN 32 -2.558 0.960 -0.530
224 HB3 GLN 32 2HB GLN 32 -2.635 2.323 -1.639
225 HG2 GLN 32 1HG GLN 32 -0.135 2.098 -1.890
226 HG3 GLN 32 2HG GLN 32 -0.278 0.568 -1.026
227 HE21 GLN 32 1HE2 GLN 32 -0.117 1.917 -4.001
228 HE22 GLN 32 2HE2 GLN 32 -0.887 0.681 -4.930
229 H ARG 33 H ARG 33 -3.067 2.139 2.239
230 HA ARG 33 HA ARG 33 -5.516 3.270 1.727
231 HB2 ARG 33 1HB ARG 33 -4.100 2.894 4.367
232 HB3 ARG 33 2HB ARG 33 -5.789 3.366 4.233
233 HG2 ARG 33 1HG ARG 33 -6.054 1.241 2.812
234 HG3 ARG 33 2HG ARG 33 -4.499 0.768 3.500
235 HD2 ARG 33 1HD ARG 33 -6.843 1.619 5.184
236 HD3 ARG 33 2HD ARG 33 -6.565 -0.057 4.711
237 HE ARG 33 HE ARG 33 -4.211 0.650 5.821
238 HH11 ARG 33 1HH1 ARG 33 -7.512 0.907 6.894
239 HH12 ARG 33 2HH1 ARG 33 -7.115 0.763 8.574
240 HH21 ARG 33 1HH2 ARG 33 -3.674 0.459 8.030
241 HH22 ARG 33 2HH2 ARG 33 -4.931 0.509 9.219
242 H THR 34 H THR 34 -2.694 4.791 3.222
243 HA THR 34 HA THR 34 -4.005 7.272 3.749
244 HB THR 34 HB THR 34 -2.034 6.593 5.036
245 HG1 THR 34 HG1 THR 34 -2.553 8.893 4.536
246 HG21 THR 34 3HG2 THR 34 0.202 6.688 4.025
247 HG22 THR 34 1HG2 THR 34 -0.526 6.986 2.447
248 HG23 THR 34 2HG2 THR 34 -0.796 5.448 3.267
249 H HIS 35 H HIS 35 -1.948 6.049 1.151
250 HA HIS 35 HA HIS 35 -1.617 8.491 -0.218
251 HB2 HIS 35 1HB HIS 35 -1.288 5.610 -0.897
252 HB3 HIS 35 2HB HIS 35 -1.369 6.758 -2.229
253 HD1 HIS 35 HD1 HIS 35 0.413 8.875 -1.870
254 HD2 HIS 35 HD2 HIS 35 1.221 5.275 0.038
255 HE1 HIS 35 HE1 HIS 35 2.864 8.945 -1.314
256 H SER 36 H SER 36 -4.141 6.058 -0.274
257 HA SER 36 HA SER 36 -5.507 6.537 -2.564
258 HB2 SER 36 1HB SER 36 -6.122 5.024 -0.552
259 HB3 SER 36 2HB SER 36 -7.018 6.424 0.036
260 HG SER 36 HG SER 36 -8.017 4.716 -1.496
261 H GLY 37 H GLY 37 -5.446 8.598 0.297
262 HA2 GLY 37 1HA GLY 37 -7.446 10.412 -0.625
263 HA3 GLY 37 2HA GLY 37 -6.312 10.696 0.687
264 H GLU 38 H GLU 38 -7.165 12.593 -1.293
265 HA GLU 38 HA GLU 38 -4.534 13.365 -2.278
266 HB2 GLU 38 1HB GLU 38 -5.292 13.797 -4.531
267 HB3 GLU 38 2HB GLU 38 -5.601 12.113 -4.134
268 HG2 GLU 38 1HG GLU 38 -7.962 13.015 -3.467
269 HG3 GLU 38 2HG GLU 38 -7.522 14.350 -4.531
270 H SER 39 H SER 39 -4.181 15.489 -2.061
271 HA SER 39 HA SER 39 -6.117 17.122 -0.770
272 HB2 SER 39 1HB SER 39 -4.363 18.946 -1.197
273 HB3 SER 39 2HB SER 39 -3.863 17.571 -0.213
274 HG SER 39 HG SER 39 -3.112 18.280 -2.806
275 H GLY 40 H GLY 40 -5.410 16.459 -4.050
276 HA2 GLY 40 1HA GLY 40 -7.285 17.195 -5.546
277 HA3 GLY 40 2HA GLY 40 -7.010 18.800 -4.885
278 HA PRO 41 HA PRO 41 -4.654 18.566 -8.835
279 HB2 PRO 41 1HB PRO 41 -5.263 21.099 -9.600
280 HB3 PRO 41 2HB PRO 41 -6.317 19.717 -9.925
281 HG2 PRO 41 1HG PRO 41 -6.500 21.769 -7.753
282 HG3 PRO 41 2HG PRO 41 -7.791 21.086 -8.758
283 HD2 PRO 41 1HD PRO 41 -7.323 20.255 -6.224
284 HD3 PRO 41 2HD PRO 41 -7.938 19.169 -7.487
285 H SER 42 H SER 42 -4.811 21.078 -6.354
286 HA SER 42 HA SER 42 -2.452 22.443 -7.017
287 HB2 SER 42 1HB SER 42 -4.047 23.420 -5.480
288 HB3 SER 42 2HB SER 42 -3.822 22.093 -4.340
289 HG SER 42 HG SER 42 -2.626 24.093 -3.899
290 H SER 43 H SER 43 -0.884 20.882 -7.542
291 HA SER 43 HA SER 43 0.199 19.383 -5.248
292 HB2 SER 43 1HB SER 43 -0.564 17.965 -7.128
293 HB3 SER 43 2HB SER 43 0.556 18.806 -8.200
294 HG SER 43 HG SER 43 1.188 16.705 -7.070
295 H GLY 44 H GLY 44 2.122 19.973 -4.486
296 HA2 GLY 44 1HA GLY 44 3.660 21.964 -5.985
297 HA3 GLY 44 2HA GLY 44 3.846 21.582 -4.280
Start of MODEL 17
1 H1 GLY 1 H GLY 1 36.926 4.416 -8.472
2 HA2 GLY 1 1HA GLY 1 36.377 2.293 -6.516
3 HA3 GLY 1 2HA GLY 1 36.585 3.999 -6.148
4 H SER 2 H SER 2 34.814 5.181 -5.823
5 HA SER 2 HA SER 2 32.605 5.640 -5.473
6 HB2 SER 2 1HB SER 2 32.677 4.717 -8.339
7 HB3 SER 2 2HB SER 2 31.184 5.289 -7.595
8 HG SER 2 HG SER 2 32.551 7.197 -6.997
9 H SER 3 H SER 3 33.336 3.199 -4.379
10 HA SER 3 HA SER 3 31.795 0.991 -5.084
11 HB2 SER 3 1HB SER 3 33.662 0.965 -3.434
12 HB3 SER 3 2HB SER 3 32.613 1.789 -2.280
13 HG SER 3 HG SER 3 32.600 -0.848 -3.129
14 H GLY 4 H GLY 4 29.967 0.062 -3.798
15 HA2 GLY 4 1HA GLY 4 28.205 1.048 -2.125
16 HA3 GLY 4 2HA GLY 4 27.915 2.130 -3.479
17 H SER 5 H SER 5 28.606 -1.353 -3.442
18 HA SER 5 HA SER 5 26.296 -1.784 -5.163
19 HB2 SER 5 1HB SER 5 28.460 -3.699 -4.254
20 HB3 SER 5 2HB SER 5 27.204 -4.064 -5.438
21 HG SER 5 HG SER 5 28.194 -1.960 -6.413
22 H SER 6 H SER 6 25.230 -1.057 -2.904
23 HA SER 6 HA SER 6 24.556 -3.516 -1.430
24 HB2 SER 6 1HB SER 6 24.468 -0.613 -0.594
25 HB3 SER 6 2HB SER 6 23.721 -1.906 0.345
26 HG SER 6 HG SER 6 25.811 -2.887 0.450
27 H GLY 7 H GLY 7 22.664 -4.383 -1.937
28 HA2 GLY 7 1HA GLY 7 20.654 -2.800 -3.319
29 HA3 GLY 7 2HA GLY 7 20.619 -4.538 -3.062
30 H THR 8 H THR 8 19.321 -1.597 -2.133
31 HA THR 8 HA THR 8 18.348 -2.682 0.424
32 HB THR 8 HB THR 8 19.468 -0.518 0.634
33 HG1 THR 8 HG1 THR 8 18.013 -0.079 2.096
34 HG21 THR 8 3HG2 THR 8 17.413 0.368 -1.384
35 HG22 THR 8 1HG2 THR 8 19.169 0.468 -1.508
36 HG23 THR 8 2HG2 THR 8 18.306 1.495 -0.363
37 H ARG 9 H ARG 9 16.105 -2.354 0.976
38 HA ARG 9 HA ARG 9 13.897 -2.719 0.532
39 HB2 ARG 9 1HB ARG 9 14.565 -0.498 -1.396
40 HB3 ARG 9 2HB ARG 9 12.925 -1.089 -1.166
41 HG2 ARG 9 1HG ARG 9 13.227 -0.574 1.292
42 HG3 ARG 9 2HG ARG 9 14.697 0.286 0.828
43 HD2 ARG 9 1HD ARG 9 13.082 1.445 -0.892
44 HD3 ARG 9 2HD ARG 9 11.845 0.941 0.260
45 HE ARG 9 HE ARG 9 13.727 2.164 1.799
46 HH11 ARG 9 1HH1 ARG 9 11.895 3.090 -1.012
47 HH12 ARG 9 2HH1 ARG 9 11.869 4.773 -0.603
48 HH21 ARG 9 1HH2 ARG 9 13.700 4.378 2.350
49 HH22 ARG 9 2HH2 ARG 9 12.897 5.505 1.310
50 H GLU 10 H GLU 10 15.431 -4.657 -0.616
51 HA GLU 10 HA GLU 10 14.723 -4.972 -3.399
52 HB2 GLU 10 1HB GLU 10 16.242 -6.640 -1.414
53 HB3 GLU 10 2HB GLU 10 15.767 -7.303 -2.971
54 HG2 GLU 10 1HG GLU 10 16.912 -5.157 -3.912
55 HG3 GLU 10 2HG GLU 10 17.724 -5.147 -2.348
56 H LYS 11 H LYS 11 12.425 -4.665 -1.964
57 HA LYS 11 HA LYS 11 11.314 -7.320 -1.484
58 HB2 LYS 11 1HB LYS 11 10.397 -4.520 -0.931
59 HB3 LYS 11 2HB LYS 11 9.228 -5.833 -0.949
60 HG2 LYS 11 1HG LYS 11 9.755 -5.837 1.257
61 HG3 LYS 11 2HG LYS 11 10.996 -6.947 0.672
62 HD2 LYS 11 1HD LYS 11 12.503 -4.922 0.445
63 HD3 LYS 11 2HD LYS 11 11.283 -4.029 1.355
64 HE2 LYS 11 1HE LYS 11 12.880 -4.745 2.938
65 HE3 LYS 11 2HE LYS 11 11.492 -5.814 3.133
66 HZ1 LYS 11 3HZ LYS 11 13.260 -6.907 1.232
67 HZ2 LYS 11 1HZ LYS 11 12.780 -7.548 2.722
68 HZ3 LYS 11 2HZ LYS 11 14.128 -6.530 2.635
69 HA PRO 12 HA PRO 12 9.292 -7.687 -5.365
70 HB2 PRO 12 1HB PRO 12 7.059 -9.056 -4.653
71 HB3 PRO 12 2HB PRO 12 8.664 -9.794 -4.699
72 HG2 PRO 12 1HG PRO 12 7.131 -8.738 -2.354
73 HG3 PRO 12 2HG PRO 12 8.081 -10.230 -2.490
74 HD2 PRO 12 1HD PRO 12 9.035 -7.999 -1.286
75 HD3 PRO 12 2HD PRO 12 10.082 -9.134 -2.163
76 H TYR 13 H TYR 13 7.018 -6.843 -2.745
77 HA TYR 13 HA TYR 13 5.248 -5.475 -4.544
78 HB2 TYR 13 1HB TYR 13 5.322 -5.552 -1.521
79 HB3 TYR 13 2HB TYR 13 4.022 -4.854 -2.481
80 HD1 TYR 13 HD2 TYR 13 2.563 -6.318 -3.840
81 HD2 TYR 13 HD1 TYR 13 5.509 -7.918 -1.218
82 HE1 TYR 13 HE2 TYR 13 1.457 -8.512 -3.944
83 HE2 TYR 13 HE1 TYR 13 4.411 -10.116 -1.317
84 HH TYR 13 HH TYR 13 1.814 -10.854 -1.858
85 H GLU 14 H GLU 14 4.936 -3.288 -4.790
86 HA GLU 14 HA GLU 14 6.664 -1.448 -3.321
87 HB2 GLU 14 1HB GLU 14 6.869 -2.076 -6.208
88 HB3 GLU 14 2HB GLU 14 6.933 -0.372 -5.780
89 HG2 GLU 14 1HG GLU 14 8.938 -0.561 -4.739
90 HG3 GLU 14 2HG GLU 14 8.646 -2.223 -4.232
91 H CYS 15 H CYS 15 5.885 0.653 -3.190
92 HA CYS 15 HA CYS 15 3.054 0.930 -3.543
93 HB2 CYS 15 1HB CYS 15 4.369 1.899 -1.626
94 HB3 CYS 15 2HB CYS 15 5.034 3.073 -2.757
95 H SER 16 H SER 16 1.988 1.792 -5.201
96 HA SER 16 HA SER 16 3.466 2.755 -7.488
97 HB2 SER 16 1HB SER 16 0.600 2.068 -6.943
98 HB3 SER 16 2HB SER 16 1.002 3.044 -8.356
99 HG SER 16 HG SER 16 2.627 0.873 -8.085
100 H GLU 17 H GLU 17 2.953 4.259 -4.792
101 HA GLU 17 HA GLU 17 2.018 6.775 -6.005
102 HB2 GLU 17 1HB GLU 17 2.165 6.210 -3.049
103 HB3 GLU 17 2HB GLU 17 1.284 7.492 -3.866
104 HG2 GLU 17 1HG GLU 17 0.594 4.649 -4.429
105 HG3 GLU 17 2HG GLU 17 0.030 5.409 -2.941
106 H CYS 18 H CYS 18 4.367 5.453 -3.685
107 HA CYS 18 HA CYS 18 6.081 7.790 -4.214
108 HB2 CYS 18 1HB CYS 18 7.147 7.298 -2.032
109 HB3 CYS 18 2HB CYS 18 5.431 7.661 -1.878
110 H GLY 19 H GLY 19 6.004 4.279 -3.867
111 HA2 GLY 19 1HA GLY 19 7.327 3.005 -5.492
112 HA3 GLY 19 2HA GLY 19 8.608 4.185 -5.259
113 H LYS 20 H LYS 20 6.994 3.382 -2.390
114 HA LYS 20 HA LYS 20 9.258 2.373 -1.117
115 HB2 LYS 20 1HB LYS 20 6.831 3.192 -0.270
116 HB3 LYS 20 2HB LYS 20 6.627 1.452 -0.111
117 HG2 LYS 20 1HG LYS 20 9.016 1.729 1.072
118 HG3 LYS 20 2HG LYS 20 8.321 3.313 1.424
119 HD2 LYS 20 1HD LYS 20 6.224 1.832 2.085
120 HD3 LYS 20 2HD LYS 20 7.475 0.612 2.338
121 HE2 LYS 20 1HE LYS 20 7.460 1.559 4.410
122 HE3 LYS 20 2HE LYS 20 8.641 2.608 3.628
123 HZ1 LYS 20 3HZ LYS 20 5.753 3.191 3.998
124 HZ2 LYS 20 1HZ LYS 20 6.843 4.185 3.169
125 HZ3 LYS 20 2HZ LYS 20 7.036 3.917 4.828
126 H ALA 21 H ALA 21 8.810 0.097 0.175
127 HA ALA 21 HA ALA 21 8.185 -1.956 -1.825
128 HB1 ALA 21 3HB ALA 21 10.494 -2.660 -0.195
129 HB2 ALA 21 1HB ALA 21 10.249 -2.800 -1.936
130 HB3 ALA 21 2HB ALA 21 10.781 -1.268 -1.240
131 H PHE 22 H PHE 22 7.476 -3.923 -0.990
132 HA PHE 22 HA PHE 22 7.263 -4.185 1.913
133 HB2 PHE 22 1HB PHE 22 4.863 -4.474 0.097
134 HB3 PHE 22 2HB PHE 22 4.886 -4.632 1.850
135 HD1 PHE 22 HD1 PHE 22 5.428 -2.215 -0.908
136 HD2 PHE 22 HD2 PHE 22 4.546 -2.775 3.218
137 HE1 PHE 22 HE1 PHE 22 4.930 0.185 -0.693
138 HE2 PHE 22 HE2 PHE 22 4.045 -0.377 3.440
139 HZ PHE 22 HZ PHE 22 4.236 1.107 1.483
140 H ILE 23 H ILE 23 6.994 -6.313 2.645
141 HA ILE 23 HA ILE 23 8.063 -8.312 0.891
142 HB ILE 23 HB ILE 23 6.943 -8.690 3.669
143 HG12 ILE 23 1HG1 ILE 23 9.586 -8.693 4.069
144 HG13 ILE 23 2HG1 ILE 23 9.537 -7.613 2.680
145 HG21 ILE 23 1HG2 ILE 23 8.420 -10.407 1.761
146 HG22 ILE 23 2HG2 ILE 23 8.861 -10.526 3.464
147 HG23 ILE 23 3HG2 ILE 23 7.199 -10.832 2.960
148 HD11 ILE 23 3HD1 ILE 23 8.442 -5.969 3.825
149 HD12 ILE 23 1HD1 ILE 23 7.698 -7.098 4.957
150 HD13 ILE 23 2HD1 ILE 23 9.405 -6.684 5.118
151 H ARG 24 H ARG 24 4.913 -7.650 2.342
152 HA ARG 24 HA ARG 24 3.740 -9.620 0.499
153 HB2 ARG 24 1HB ARG 24 2.774 -9.118 3.317
154 HB3 ARG 24 2HB ARG 24 2.153 -10.311 2.184
155 HG2 ARG 24 1HG ARG 24 4.500 -11.314 2.225
156 HG3 ARG 24 2HG ARG 24 4.766 -10.307 3.650
157 HD2 ARG 24 1HD ARG 24 2.832 -11.352 4.737
158 HD3 ARG 24 2HD ARG 24 2.586 -12.365 3.316
159 HE ARG 24 HE ARG 24 5.141 -12.903 4.035
160 HH11 ARG 24 1HH1 ARG 24 2.109 -12.916 5.746
161 HH12 ARG 24 2HH1 ARG 24 2.584 -14.172 6.841
162 HH21 ARG 24 1HH2 ARG 24 5.777 -14.557 5.471
163 HH22 ARG 24 2HH2 ARG 24 4.671 -15.104 6.685
164 H ASN 25 H ASN 25 1.953 -8.972 -0.587
165 HA ASN 25 HA ASN 25 1.373 -6.380 -1.103
166 HB2 ASN 25 1HB ASN 25 0.384 -8.643 -2.060
167 HB3 ASN 25 2HB ASN 25 -0.954 -8.248 -0.985
168 HD21 ASN 25 1HD2 ASN 25 -0.427 -5.353 -1.332
169 HD22 ASN 25 2HD2 ASN 25 -1.085 -4.958 -2.880
170 H SER 26 H SER 26 -0.401 -8.372 1.263
171 HA SER 26 HA SER 26 -2.234 -6.654 2.235
172 HB2 SER 26 1HB SER 26 -1.501 -9.026 3.073
173 HB3 SER 26 2HB SER 26 -0.542 -8.114 4.239
174 HG SER 26 HG SER 26 -2.724 -8.688 4.921
175 H GLN 27 H GLN 27 1.218 -6.589 2.981
176 HA GLN 27 HA GLN 27 1.084 -4.521 4.910
177 HB2 GLN 27 1HB GLN 27 3.466 -5.103 3.160
178 HB3 GLN 27 2HB GLN 27 3.453 -4.451 4.793
179 HG2 GLN 27 1HG GLN 27 2.281 -6.777 5.299
180 HG3 GLN 27 2HG GLN 27 3.186 -7.247 3.860
181 HE21 GLN 27 1HE2 GLN 27 3.340 -7.523 6.990
182 HE22 GLN 27 2HE2 GLN 27 5.034 -7.355 7.281
183 H LEU 28 H LEU 28 2.015 -4.470 1.471
184 HA LEU 28 HA LEU 28 2.450 -1.737 1.231
185 HB2 LEU 28 1HB LEU 28 3.155 -2.953 -0.591
186 HB3 LEU 28 2HB LEU 28 1.669 -3.899 -0.666
187 HG LEU 28 HG LEU 28 0.497 -1.937 -1.590
188 HD11 LEU 28 1HD1 LEU 28 3.189 -0.638 -1.876
189 HD12 LEU 28 2HD1 LEU 28 2.116 -0.295 -0.520
190 HD13 LEU 28 3HD1 LEU 28 1.594 0.056 -2.167
191 HD21 LEU 28 3HD2 LEU 28 2.541 -1.960 -3.566
192 HD22 LEU 28 1HD2 LEU 28 1.001 -2.821 -3.559
193 HD23 LEU 28 2HD2 LEU 28 2.434 -3.572 -2.856
194 H ILE 29 H ILE 29 -0.518 -3.519 0.363
195 HA ILE 29 HA ILE 29 -2.178 -1.522 -0.376
196 HB ILE 29 HB ILE 29 -2.891 -3.811 1.460
197 HG12 ILE 29 1HG1 ILE 29 -3.426 -3.625 -1.494
198 HG13 ILE 29 2HG1 ILE 29 -1.879 -4.210 -0.891
199 HG21 ILE 29 1HG2 ILE 29 -5.121 -3.153 -0.049
200 HG22 ILE 29 2HG2 ILE 29 -4.877 -2.828 1.666
201 HG23 ILE 29 3HG2 ILE 29 -4.472 -1.597 0.470
202 HD11 ILE 29 3HD1 ILE 29 -2.769 -6.223 -0.731
203 HD12 ILE 29 1HD1 ILE 29 -3.842 -5.613 0.528
204 HD13 ILE 29 2HD1 ILE 29 -4.362 -5.597 -1.157
205 H VAL 30 H VAL 30 -1.628 -2.497 3.007
206 HA VAL 30 HA VAL 30 -3.265 -0.629 4.243
207 HB VAL 30 HB VAL 30 -0.678 -1.857 5.191
208 HG11 VAL 30 1HG1 VAL 30 -1.372 -1.138 7.459
209 HG12 VAL 30 2HG1 VAL 30 -0.967 0.211 6.395
210 HG13 VAL 30 3HG1 VAL 30 -2.656 -0.176 6.727
211 HG21 VAL 30 3HG2 VAL 30 -3.452 -2.706 5.087
212 HG22 VAL 30 1HG2 VAL 30 -1.993 -3.645 5.404
213 HG23 VAL 30 2HG2 VAL 30 -2.790 -2.783 6.720
214 H HIS 31 H HIS 31 -0.016 -0.276 2.963
215 HA HIS 31 HA HIS 31 0.390 2.335 4.095
216 HB2 HIS 31 1HB HIS 31 2.333 0.979 3.681
217 HB3 HIS 31 2HB HIS 31 1.893 0.774 1.988
218 HD1 HIS 31 HD1 HIS 31 3.248 3.341 4.383
219 HD2 HIS 31 HD2 HIS 31 2.711 2.803 0.299
220 HE1 HIS 31 HE1 HIS 31 4.511 5.219 3.286
221 H GLN 32 H GLN 32 -1.165 1.076 1.319
222 HA GLN 32 HA GLN 32 -0.951 3.508 -0.233
223 HB2 GLN 32 1HB GLN 32 -2.453 0.925 -0.648
224 HB3 GLN 32 2HB GLN 32 -2.584 2.291 -1.748
225 HG2 GLN 32 1HG GLN 32 0.002 2.134 -1.843
226 HG3 GLN 32 2HG GLN 32 -0.254 0.504 -1.223
227 HE21 GLN 32 1HE2 GLN 32 0.640 1.709 -3.871
228 HE22 GLN 32 2HE2 GLN 32 -0.312 0.872 -5.045
229 H ARG 33 H ARG 33 -3.104 2.111 2.076
230 HA ARG 33 HA ARG 33 -5.519 3.320 1.450
231 HB2 ARG 33 1HB ARG 33 -4.301 2.664 4.133
232 HB3 ARG 33 2HB ARG 33 -5.958 3.220 3.938
233 HG2 ARG 33 1HG ARG 33 -6.125 1.223 2.265
234 HG3 ARG 33 2HG ARG 33 -4.725 0.624 3.157
235 HD2 ARG 33 1HD ARG 33 -5.914 0.470 5.156
236 HD3 ARG 33 2HD ARG 33 -7.180 1.562 4.595
237 HE ARG 33 HE ARG 33 -6.991 -0.899 3.108
238 HH11 ARG 33 1HH1 ARG 33 -8.398 0.709 5.856
239 HH12 ARG 33 2HH1 ARG 33 -9.749 -0.371 5.961
240 HH21 ARG 33 1HH2 ARG 33 -8.764 -2.327 3.234
241 HH22 ARG 33 2HH2 ARG 33 -9.956 -2.098 4.469
242 H THR 34 H THR 34 -2.732 4.626 3.173
243 HA THR 34 HA THR 34 -3.993 7.078 3.904
244 HB THR 34 HB THR 34 -1.999 6.144 5.081
245 HG1 THR 34 HG1 THR 34 -1.893 8.162 5.686
246 HG21 THR 34 3HG2 THR 34 -0.886 5.690 2.731
247 HG22 THR 34 1HG2 THR 34 0.099 6.047 4.149
248 HG23 THR 34 2HG2 THR 34 -0.246 7.316 2.973
249 H HIS 35 H HIS 35 -2.001 6.027 1.195
250 HA HIS 35 HA HIS 35 -1.569 8.581 0.066
251 HB2 HIS 35 1HB HIS 35 -1.324 5.765 -0.872
252 HB3 HIS 35 2HB HIS 35 -1.370 7.030 -2.096
253 HD1 HIS 35 HD1 HIS 35 0.485 9.029 -1.621
254 HD2 HIS 35 HD2 HIS 35 1.159 5.304 0.093
255 HE1 HIS 35 HE1 HIS 35 2.933 8.985 -1.047
256 H SER 36 H SER 36 -4.112 6.174 -0.345
257 HA SER 36 HA SER 36 -5.410 7.394 -2.530
258 HB2 SER 36 1HB SER 36 -7.339 5.992 -1.915
259 HB3 SER 36 2HB SER 36 -5.839 5.066 -1.875
260 HG SER 36 HG SER 36 -7.290 6.120 0.319
261 H GLY 37 H GLY 37 -7.231 8.730 -2.625
262 HA2 GLY 37 1HA GLY 37 -9.004 9.949 -1.495
263 HA3 GLY 37 2HA GLY 37 -7.936 10.099 -0.108
264 H GLU 38 H GLU 38 -5.588 10.848 -1.530
265 HA GLU 38 HA GLU 38 -5.993 13.639 -1.689
266 HB2 GLU 38 1HB GLU 38 -3.829 12.200 -1.230
267 HB3 GLU 38 2HB GLU 38 -3.620 12.351 -2.969
268 HG2 GLU 38 1HG GLU 38 -2.407 14.060 -1.654
269 HG3 GLU 38 2HG GLU 38 -3.540 14.731 -2.825
270 H SER 39 H SER 39 -5.611 15.026 -3.535
271 HA SER 39 HA SER 39 -7.030 14.097 -5.857
272 HB2 SER 39 1HB SER 39 -6.966 16.369 -6.608
273 HB3 SER 39 2HB SER 39 -7.240 16.416 -4.866
274 HG SER 39 HG SER 39 -5.461 17.763 -6.025
275 H GLY 40 H GLY 40 -3.770 15.445 -5.315
276 HA2 GLY 40 1HA GLY 40 -2.506 13.590 -7.037
277 HA3 GLY 40 2HA GLY 40 -2.795 15.092 -7.902
278 HA PRO 41 HA PRO 41 0.312 15.920 -4.245
279 HB2 PRO 41 1HB PRO 41 1.694 13.721 -3.453
280 HB3 PRO 41 2HB PRO 41 0.187 14.236 -2.686
281 HG2 PRO 41 1HG PRO 41 0.634 12.115 -4.751
282 HG3 PRO 41 2HG PRO 41 -0.391 12.070 -3.305
283 HD2 PRO 41 1HD PRO 41 -1.386 12.521 -5.782
284 HD3 PRO 41 2HD PRO 41 -2.095 13.242 -4.323
285 H SER 42 H SER 42 0.514 14.439 -7.179
286 HA SER 42 HA SER 42 2.989 13.704 -7.835
287 HB2 SER 42 1HB SER 42 1.343 15.762 -9.325
288 HB3 SER 42 2HB SER 42 2.734 14.918 -10.005
289 HG SER 42 HG SER 42 0.393 13.665 -8.998
290 H SER 43 H SER 43 5.018 14.457 -7.817
291 HA SER 43 HA SER 43 5.430 17.216 -6.894
292 HB2 SER 43 1HB SER 43 7.601 16.483 -6.091
293 HB3 SER 43 2HB SER 43 6.364 15.378 -5.493
294 HG SER 43 HG SER 43 7.631 13.921 -6.337
295 H GLY 44 H GLY 44 7.792 17.966 -7.625
296 HA2 GLY 44 1HA GLY 44 9.257 17.600 -9.697
297 HA3 GLY 44 2HA GLY 44 7.745 17.809 -10.568
Start of MODEL 18
1 H1 GLY 1 H GLY 1 33.746 12.240 -6.663
2 HA2 GLY 1 1HA GLY 1 36.005 10.433 -7.275
3 HA3 GLY 1 2HA GLY 1 35.768 11.152 -5.689
4 H SER 2 H SER 2 34.469 10.159 -4.239
5 HA SER 2 HA SER 2 33.102 7.714 -5.157
6 HB2 SER 2 1HB SER 2 35.134 7.650 -3.480
7 HB3 SER 2 2HB SER 2 33.906 8.102 -2.298
8 HG SER 2 HG SER 2 34.407 5.718 -2.978
9 H SER 3 H SER 3 31.011 7.360 -4.577
10 HA SER 3 HA SER 3 29.704 8.979 -2.579
11 HB2 SER 3 1HB SER 3 29.349 9.481 -5.495
12 HB3 SER 3 2HB SER 3 27.913 9.549 -4.474
13 HG SER 3 HG SER 3 29.005 11.582 -4.683
14 H GLY 4 H GLY 4 28.164 7.815 -1.615
15 HA2 GLY 4 1HA GLY 4 27.089 5.484 -3.082
16 HA3 GLY 4 2HA GLY 4 27.481 5.439 -1.369
17 H SER 5 H SER 5 24.970 5.472 -3.381
18 HA SER 5 HA SER 5 23.256 6.842 -1.427
19 HB2 SER 5 1HB SER 5 23.552 8.321 -3.386
20 HB3 SER 5 2HB SER 5 22.954 7.035 -4.434
21 HG SER 5 HG SER 5 21.320 8.551 -3.848
22 H SER 6 H SER 6 21.269 5.909 -1.054
23 HA SER 6 HA SER 6 21.008 3.158 -1.971
24 HB2 SER 6 1HB SER 6 19.488 4.726 0.125
25 HB3 SER 6 2HB SER 6 19.205 3.027 -0.250
26 HG SER 6 HG SER 6 20.727 3.640 1.552
27 H GLY 7 H GLY 7 18.806 2.349 -2.540
28 HA2 GLY 7 1HA GLY 7 16.676 3.921 -3.345
29 HA3 GLY 7 2HA GLY 7 17.768 3.856 -4.720
30 H THR 8 H THR 8 18.599 1.473 -5.088
31 HA THR 8 HA THR 8 16.668 -0.024 -6.221
32 HB THR 8 HB THR 8 19.007 -1.232 -4.732
33 HG1 THR 8 HG1 THR 8 19.834 0.268 -6.143
34 HG21 THR 8 3HG2 THR 8 18.057 -3.142 -5.434
35 HG22 THR 8 1HG2 THR 8 18.620 -2.668 -7.036
36 HG23 THR 8 2HG2 THR 8 16.968 -2.301 -6.538
37 H ARG 9 H ARG 9 14.973 -1.209 -5.611
38 HA ARG 9 HA ARG 9 14.579 -1.682 -2.746
39 HB2 ARG 9 1HB ARG 9 12.591 -1.864 -5.018
40 HB3 ARG 9 2HB ARG 9 12.221 -2.007 -3.305
41 HG2 ARG 9 1HG ARG 9 13.458 0.461 -4.484
42 HG3 ARG 9 2HG ARG 9 11.713 0.214 -4.398
43 HD2 ARG 9 1HD ARG 9 12.302 -0.340 -1.871
44 HD3 ARG 9 2HD ARG 9 13.680 0.700 -2.227
45 HE ARG 9 HE ARG 9 10.914 1.492 -1.991
46 HH11 ARG 9 1HH1 ARG 9 14.078 2.324 -3.180
47 HH12 ARG 9 2HH1 ARG 9 13.755 4.025 -3.231
48 HH21 ARG 9 1HH2 ARG 9 10.476 3.730 -2.052
49 HH22 ARG 9 2HH2 ARG 9 11.706 4.824 -2.588
50 H GLU 10 H GLU 10 14.569 -3.669 -1.888
51 HA GLU 10 HA GLU 10 15.167 -5.917 -3.630
52 HB2 GLU 10 1HB GLU 10 15.167 -5.570 -0.635
53 HB3 GLU 10 2HB GLU 10 15.424 -7.129 -1.406
54 HG2 GLU 10 1HG GLU 10 17.578 -6.455 -1.105
55 HG3 GLU 10 2HG GLU 10 17.274 -5.828 -2.724
56 H LYS 11 H LYS 11 12.685 -4.917 -1.320
57 HA LYS 11 HA LYS 11 11.156 -7.251 -1.298
58 HB2 LYS 11 1HB LYS 11 10.652 -4.384 -0.708
59 HB3 LYS 11 2HB LYS 11 9.241 -5.403 -0.964
60 HG2 LYS 11 1HG LYS 11 9.476 -5.638 1.282
61 HG3 LYS 11 2HG LYS 11 10.499 -6.972 0.745
62 HD2 LYS 11 1HD LYS 11 12.480 -5.655 1.044
63 HD3 LYS 11 2HD LYS 11 11.526 -4.205 1.366
64 HE2 LYS 11 1HE LYS 11 12.086 -4.852 3.500
65 HE3 LYS 11 2HE LYS 11 10.527 -5.652 3.301
66 HZ1 LYS 11 3HZ LYS 11 13.223 -6.867 3.104
67 HZ2 LYS 11 1HZ LYS 11 11.820 -7.657 2.584
68 HZ3 LYS 11 2HZ LYS 11 11.998 -7.234 4.211
69 HA PRO 12 HA PRO 12 9.387 -7.457 -5.323
70 HB2 PRO 12 1HB PRO 12 7.179 -8.930 -4.750
71 HB3 PRO 12 2HB PRO 12 8.807 -9.617 -4.795
72 HG2 PRO 12 1HG PRO 12 7.184 -8.743 -2.436
73 HG3 PRO 12 2HG PRO 12 8.182 -10.195 -2.631
74 HD2 PRO 12 1HD PRO 12 9.036 -8.012 -1.277
75 HD3 PRO 12 2HD PRO 12 10.140 -9.063 -2.188
76 H TYR 13 H TYR 13 7.039 -6.813 -2.713
77 HA TYR 13 HA TYR 13 5.236 -5.438 -4.461
78 HB2 TYR 13 1HB TYR 13 5.342 -5.588 -1.441
79 HB3 TYR 13 2HB TYR 13 4.022 -4.880 -2.365
80 HD1 TYR 13 HD2 TYR 13 2.501 -6.298 -3.649
81 HD2 TYR 13 HD1 TYR 13 5.633 -7.984 -1.314
82 HE1 TYR 13 HE2 TYR 13 1.424 -8.503 -3.808
83 HE2 TYR 13 HE1 TYR 13 4.565 -10.195 -1.468
84 HH TYR 13 HH TYR 13 2.643 -11.170 -3.523
85 H GLU 14 H GLU 14 5.131 -3.333 -4.945
86 HA GLU 14 HA GLU 14 6.701 -1.433 -3.348
87 HB2 GLU 14 1HB GLU 14 7.017 -2.102 -6.206
88 HB3 GLU 14 2HB GLU 14 6.981 -0.383 -5.837
89 HG2 GLU 14 1HG GLU 14 8.961 -0.428 -4.741
90 HG3 GLU 14 2HG GLU 14 8.731 -2.077 -4.162
91 H CYS 15 H CYS 15 5.973 0.743 -3.433
92 HA CYS 15 HA CYS 15 3.113 0.947 -3.872
93 HB2 CYS 15 1HB CYS 15 4.294 1.842 -1.818
94 HB3 CYS 15 2HB CYS 15 4.975 3.094 -2.852
95 H SER 16 H SER 16 2.212 1.770 -5.635
96 HA SER 16 HA SER 16 3.872 2.942 -7.692
97 HB2 SER 16 1HB SER 16 0.901 2.363 -7.617
98 HB3 SER 16 2HB SER 16 1.781 2.935 -9.035
99 HG SER 16 HG SER 16 2.567 0.998 -9.331
100 H GLU 17 H GLU 17 3.224 4.347 -5.088
101 HA GLU 17 HA GLU 17 2.105 6.809 -6.261
102 HB2 GLU 17 1HB GLU 17 2.100 6.132 -3.323
103 HB3 GLU 17 2HB GLU 17 1.200 7.401 -4.142
104 HG2 GLU 17 1HG GLU 17 0.707 4.569 -4.905
105 HG3 GLU 17 2HG GLU 17 0.035 5.181 -3.395
106 H CYS 18 H CYS 18 4.478 5.501 -3.981
107 HA CYS 18 HA CYS 18 6.069 7.951 -4.366
108 HB2 CYS 18 1HB CYS 18 6.923 7.658 -2.062
109 HB3 CYS 18 2HB CYS 18 5.185 7.937 -2.100
110 H GLY 19 H GLY 19 6.128 4.477 -3.676
111 HA2 GLY 19 1HA GLY 19 7.713 3.280 -5.243
112 HA3 GLY 19 2HA GLY 19 8.916 4.413 -4.648
113 H LYS 20 H LYS 20 6.847 3.671 -2.158
114 HA LYS 20 HA LYS 20 8.700 2.477 -0.523
115 HB2 LYS 20 1HB LYS 20 6.165 3.294 -0.173
116 HB3 LYS 20 2HB LYS 20 5.896 1.556 -0.200
117 HG2 LYS 20 1HG LYS 20 6.247 1.807 2.018
118 HG3 LYS 20 2HG LYS 20 7.927 1.613 1.514
119 HD2 LYS 20 1HD LYS 20 6.782 4.355 1.505
120 HD3 LYS 20 2HD LYS 20 7.144 3.618 3.067
121 HE2 LYS 20 1HE LYS 20 9.080 3.943 0.776
122 HE3 LYS 20 2HE LYS 20 9.027 4.942 2.228
123 HZ1 LYS 20 3HZ LYS 20 9.741 2.075 2.025
124 HZ2 LYS 20 1HZ LYS 20 9.396 2.825 3.501
125 HZ3 LYS 20 2HZ LYS 20 10.707 3.351 2.572
126 H ALA 21 H ALA 21 8.524 0.211 0.430
127 HA ALA 21 HA ALA 21 7.983 -1.790 -1.652
128 HB1 ALA 21 3HB ALA 21 10.494 -1.034 -1.244
129 HB2 ALA 21 1HB ALA 21 10.367 -2.213 0.061
130 HB3 ALA 21 2HB ALA 21 10.065 -2.706 -1.606
131 H PHE 22 H PHE 22 7.617 -3.936 -0.859
132 HA PHE 22 HA PHE 22 7.360 -4.350 1.990
133 HB2 PHE 22 1HB PHE 22 4.891 -4.532 0.254
134 HB3 PHE 22 2HB PHE 22 4.987 -4.816 1.988
135 HD1 PHE 22 HD1 PHE 22 5.041 -2.267 -0.649
136 HD2 PHE 22 HD2 PHE 22 5.037 -2.999 3.544
137 HE1 PHE 22 HE1 PHE 22 4.528 0.104 -0.239
138 HE2 PHE 22 HE2 PHE 22 4.523 -0.629 3.961
139 HZ PHE 22 HZ PHE 22 4.267 0.926 2.068
140 H ILE 23 H ILE 23 6.930 -6.558 2.548
141 HA ILE 23 HA ILE 23 7.965 -8.398 0.562
142 HB ILE 23 HB ILE 23 7.221 -8.835 3.456
143 HG12 ILE 23 1HG1 ILE 23 9.982 -8.825 2.252
144 HG13 ILE 23 2HG1 ILE 23 9.222 -7.344 2.825
145 HG21 ILE 23 1HG2 ILE 23 8.718 -10.922 3.029
146 HG22 ILE 23 2HG2 ILE 23 7.015 -10.955 2.575
147 HG23 ILE 23 3HG2 ILE 23 8.249 -10.680 1.346
148 HD11 ILE 23 3HD1 ILE 23 10.108 -7.821 4.800
149 HD12 ILE 23 1HD1 ILE 23 8.899 -9.098 4.928
150 HD13 ILE 23 2HD1 ILE 23 10.509 -9.467 4.309
151 H ARG 24 H ARG 24 4.950 -7.733 2.220
152 HA ARG 24 HA ARG 24 3.651 -9.777 0.543
153 HB2 ARG 24 1HB ARG 24 2.780 -8.983 3.326
154 HB3 ARG 24 2HB ARG 24 2.088 -10.251 2.323
155 HG2 ARG 24 1HG ARG 24 4.573 -11.163 2.408
156 HG3 ARG 24 2HG ARG 24 4.589 -10.236 3.910
157 HD2 ARG 24 1HD ARG 24 2.354 -12.134 3.301
158 HD3 ARG 24 2HD ARG 24 3.874 -12.720 3.973
159 HE ARG 24 HE ARG 24 2.708 -10.525 5.428
160 HH11 ARG 24 1HH1 ARG 24 2.835 -13.983 5.044
161 HH12 ARG 24 2HH1 ARG 24 2.299 -14.312 6.659
162 HH21 ARG 24 1HH2 ARG 24 2.002 -10.946 7.555
163 HH22 ARG 24 2HH2 ARG 24 1.825 -12.584 8.086
164 H ASN 25 H ASN 25 1.779 -9.201 -0.477
165 HA ASN 25 HA ASN 25 1.306 -6.599 -1.197
166 HB2 ASN 25 1HB ASN 25 0.302 -8.874 -2.068
167 HB3 ASN 25 2HB ASN 25 -1.029 -8.461 -0.991
168 HD21 ASN 25 1HD2 ASN 25 -0.715 -5.607 -1.361
169 HD22 ASN 25 2HD2 ASN 25 -1.323 -5.250 -2.939
170 H SER 26 H SER 26 -0.522 -8.438 1.251
171 HA SER 26 HA SER 26 -2.302 -6.575 2.107
172 HB2 SER 26 1HB SER 26 -2.053 -7.609 4.406
173 HB3 SER 26 2HB SER 26 -2.333 -8.754 3.094
174 HG SER 26 HG SER 26 0.254 -8.090 4.035
175 H GLN 27 H GLN 27 1.135 -6.682 2.827
176 HA GLN 27 HA GLN 27 1.129 -4.651 4.802
177 HB2 GLN 27 1HB GLN 27 3.387 -5.488 2.976
178 HB3 GLN 27 2HB GLN 27 3.545 -4.583 4.475
179 HG2 GLN 27 1HG GLN 27 2.207 -7.227 4.585
180 HG3 GLN 27 2HG GLN 27 3.955 -7.188 4.354
181 HE21 GLN 27 1HE2 GLN 27 4.703 -7.822 6.275
182 HE22 GLN 27 2HE2 GLN 27 4.352 -7.053 7.781
183 H LEU 28 H LEU 28 1.939 -4.585 1.335
184 HA LEU 28 HA LEU 28 2.504 -1.863 1.137
185 HB2 LEU 28 1HB LEU 28 3.117 -3.133 -0.702
186 HB3 LEU 28 2HB LEU 28 1.548 -3.929 -0.799
187 HG LEU 28 HG LEU 28 0.573 -1.814 -1.641
188 HD11 LEU 28 1HD1 LEU 28 2.143 -0.072 -2.448
189 HD12 LEU 28 2HD1 LEU 28 3.443 -0.895 -1.587
190 HD13 LEU 28 3HD1 LEU 28 2.087 -0.211 -0.691
191 HD21 LEU 28 3HD2 LEU 28 2.808 -3.177 -3.096
192 HD22 LEU 28 1HD2 LEU 28 1.905 -1.863 -3.850
193 HD23 LEU 28 2HD2 LEU 28 1.066 -3.326 -3.334
194 H ILE 29 H ILE 29 -0.558 -3.527 0.371
195 HA ILE 29 HA ILE 29 -2.151 -1.444 -0.322
196 HB ILE 29 HB ILE 29 -2.921 -3.731 1.494
197 HG12 ILE 29 1HG1 ILE 29 -3.511 -3.509 -1.443
198 HG13 ILE 29 2HG1 ILE 29 -1.955 -4.120 -0.892
199 HG21 ILE 29 1HG2 ILE 29 -4.756 -2.435 1.781
200 HG22 ILE 29 2HG2 ILE 29 -4.479 -1.523 0.298
201 HG23 ILE 29 3HG2 ILE 29 -5.196 -3.132 0.222
202 HD11 ILE 29 3HD1 ILE 29 -2.888 -6.120 -0.769
203 HD12 ILE 29 1HD1 ILE 29 -3.848 -5.526 0.585
204 HD13 ILE 29 2HD1 ILE 29 -4.494 -5.451 -1.055
205 H VAL 30 H VAL 30 -1.452 -2.464 3.013
206 HA VAL 30 HA VAL 30 -3.026 -0.639 4.375
207 HB VAL 30 HB VAL 30 -0.314 -1.703 5.175
208 HG11 VAL 30 1HG1 VAL 30 -2.056 -1.115 7.373
209 HG12 VAL 30 2HG1 VAL 30 -0.434 -0.504 7.040
210 HG13 VAL 30 3HG1 VAL 30 -1.844 0.324 6.378
211 HG21 VAL 30 3HG2 VAL 30 -2.635 -3.099 4.750
212 HG22 VAL 30 1HG2 VAL 30 -1.311 -3.608 5.799
213 HG23 VAL 30 2HG2 VAL 30 -2.703 -2.764 6.480
214 H HIS 31 H HIS 31 0.169 -0.217 2.955
215 HA HIS 31 HA HIS 31 0.551 2.410 4.047
216 HB2 HIS 31 1HB HIS 31 2.521 1.150 3.566
217 HB3 HIS 31 2HB HIS 31 1.998 0.840 1.913
218 HD1 HIS 31 HD1 HIS 31 3.205 3.687 4.095
219 HD2 HIS 31 HD2 HIS 31 2.821 2.694 0.079
220 HE1 HIS 31 HE1 HIS 31 4.378 5.519 2.834
221 H GLN 32 H GLN 32 -1.062 1.097 1.320
222 HA GLN 32 HA GLN 32 -0.984 3.526 -0.241
223 HB2 GLN 32 1HB GLN 32 -2.496 0.935 -0.576
224 HB3 GLN 32 2HB GLN 32 -2.624 2.284 -1.697
225 HG2 GLN 32 1HG GLN 32 -0.144 2.122 -2.022
226 HG3 GLN 32 2HG GLN 32 -0.193 0.627 -1.089
227 HE21 GLN 32 1HE2 GLN 32 -0.041 1.758 -4.105
228 HE22 GLN 32 2HE2 GLN 32 -0.833 0.485 -4.964
229 H ARG 33 H ARG 33 -2.916 2.206 2.258
230 HA ARG 33 HA ARG 33 -5.424 3.280 1.739
231 HB2 ARG 33 1HB ARG 33 -4.046 2.956 4.412
232 HB3 ARG 33 2HB ARG 33 -5.771 3.214 4.184
233 HG2 ARG 33 1HG ARG 33 -5.842 1.093 2.875
234 HG3 ARG 33 2HG ARG 33 -4.159 0.823 3.333
235 HD2 ARG 33 1HD ARG 33 -5.195 -0.344 4.997
236 HD3 ARG 33 2HD ARG 33 -5.121 1.246 5.756
237 HE ARG 33 HE ARG 33 -7.522 1.051 4.330
238 HH11 ARG 33 1HH1 ARG 33 -5.971 -0.321 7.129
239 HH12 ARG 33 2HH1 ARG 33 -7.458 -0.640 7.958
240 HH21 ARG 33 1HH2 ARG 33 -9.487 0.636 5.412
241 HH22 ARG 33 2HH2 ARG 33 -9.458 -0.096 6.981
242 H THR 34 H THR 34 -2.581 4.780 3.199
243 HA THR 34 HA THR 34 -3.872 7.221 3.886
244 HB THR 34 HB THR 34 -1.787 6.504 4.979
245 HG1 THR 34 HG1 THR 34 -1.617 8.961 3.541
246 HG21 THR 34 3HG2 THR 34 0.190 6.159 3.912
247 HG22 THR 34 1HG2 THR 34 -0.128 7.390 2.691
248 HG23 THR 34 2HG2 THR 34 -0.880 5.801 2.558
249 H HIS 35 H HIS 35 -2.127 6.075 1.058
250 HA HIS 35 HA HIS 35 -1.861 8.574 -0.237
251 HB2 HIS 35 1HB HIS 35 -1.655 5.717 -1.055
252 HB3 HIS 35 2HB HIS 35 -1.839 6.920 -2.327
253 HD1 HIS 35 HD1 HIS 35 -0.004 9.041 -1.929
254 HD2 HIS 35 HD2 HIS 35 0.940 5.253 -0.508
255 HE1 HIS 35 HE1 HIS 35 2.494 9.035 -1.640
256 H SER 36 H SER 36 -4.440 6.216 -0.087
257 HA SER 36 HA SER 36 -6.029 6.700 -2.199
258 HB2 SER 36 1HB SER 36 -7.933 6.155 -0.857
259 HB3 SER 36 2HB SER 36 -6.568 5.265 -0.183
260 HG SER 36 HG SER 36 -7.907 6.380 1.385
261 H GLY 37 H GLY 37 -6.725 8.463 -3.198
262 HA2 GLY 37 1HA GLY 37 -6.460 11.065 -2.186
263 HA3 GLY 37 2HA GLY 37 -7.420 10.614 -3.587
264 H GLU 38 H GLU 38 -9.503 9.308 -2.816
265 HA GLU 38 HA GLU 38 -10.691 10.753 -0.547
266 HB2 GLU 38 1HB GLU 38 -12.780 11.004 -1.815
267 HB3 GLU 38 2HB GLU 38 -11.444 11.840 -2.595
268 HG2 GLU 38 1HG GLU 38 -12.355 10.843 -4.411
269 HG3 GLU 38 2HG GLU 38 -11.257 9.557 -3.912
270 H SER 39 H SER 39 -12.019 9.584 0.753
271 HA SER 39 HA SER 39 -12.243 6.720 0.136
272 HB2 SER 39 1HB SER 39 -11.054 7.241 2.213
273 HB3 SER 39 2HB SER 39 -12.444 8.159 2.794
274 HG SER 39 HG SER 39 -12.416 5.384 2.191
275 H GLY 40 H GLY 40 -14.038 8.421 -1.141
276 HA2 GLY 40 1HA GLY 40 -16.526 7.286 -0.268
277 HA3 GLY 40 2HA GLY 40 -16.438 9.016 0.029
278 HA PRO 41 HA PRO 41 -16.312 8.219 -4.772
279 HB2 PRO 41 1HB PRO 41 -17.407 5.855 -5.535
280 HB3 PRO 41 2HB PRO 41 -15.680 6.055 -5.215
281 HG2 PRO 41 1HG PRO 41 -17.817 4.931 -3.445
282 HG3 PRO 41 2HG PRO 41 -16.171 4.335 -3.729
283 HD2 PRO 41 1HD PRO 41 -16.842 5.768 -1.531
284 HD3 PRO 41 2HD PRO 41 -15.233 5.859 -2.276
285 H SER 42 H SER 42 -18.153 7.993 -6.412
286 HA SER 42 HA SER 42 -20.227 8.689 -7.046
287 HB2 SER 42 1HB SER 42 -20.664 6.368 -6.033
288 HB3 SER 42 2HB SER 42 -21.294 7.232 -4.631
289 HG SER 42 HG SER 42 -23.061 7.532 -5.705
290 H SER 43 H SER 43 -18.839 10.557 -5.540
291 HA SER 43 HA SER 43 -20.319 11.613 -3.376
292 HB2 SER 43 1HB SER 43 -18.125 12.607 -5.140
293 HB3 SER 43 2HB SER 43 -19.009 13.785 -4.171
294 HG SER 43 HG SER 43 -17.272 13.030 -2.979
295 H GLY 44 H GLY 44 -21.063 14.049 -3.579
296 HA2 GLY 44 1HA GLY 44 -22.479 14.597 -6.057
297 HA3 GLY 44 2HA GLY 44 -23.499 14.237 -4.672
Start of MODEL 19
1 H1 GLY 1 H GLY 1 29.204 12.058 -11.135
2 HA2 GLY 1 1HA GLY 1 27.393 12.637 -8.887
3 HA3 GLY 1 2HA GLY 1 26.921 12.564 -10.578
4 H SER 2 H SER 2 28.496 10.421 -8.198
5 HA SER 2 HA SER 2 26.554 8.339 -8.929
6 HB2 SER 2 1HB SER 2 28.591 7.787 -10.125
7 HB3 SER 2 2HB SER 2 29.547 7.978 -8.656
8 HG SER 2 HG SER 2 29.182 5.923 -8.420
9 H SER 3 H SER 3 29.050 9.343 -6.612
10 HA SER 3 HA SER 3 29.335 8.814 -4.392
11 HB2 SER 3 1HB SER 3 26.392 9.525 -4.443
12 HB3 SER 3 2HB SER 3 27.423 9.536 -3.012
13 HG SER 3 HG SER 3 27.138 11.615 -4.064
14 H GLY 4 H GLY 4 29.015 6.474 -5.845
15 HA2 GLY 4 1HA GLY 4 28.627 4.237 -5.506
16 HA3 GLY 4 2HA GLY 4 28.322 4.639 -3.822
17 H SER 5 H SER 5 26.988 2.780 -5.783
18 HA SER 5 HA SER 5 24.254 3.848 -5.511
19 HB2 SER 5 1HB SER 5 25.209 1.842 -7.566
20 HB3 SER 5 2HB SER 5 23.615 2.591 -7.479
21 HG SER 5 HG SER 5 26.091 3.835 -8.073
22 H SER 6 H SER 6 24.234 2.937 -3.360
23 HA SER 6 HA SER 6 24.031 0.001 -3.313
24 HB2 SER 6 1HB SER 6 25.654 1.355 -1.760
25 HB3 SER 6 2HB SER 6 24.193 1.666 -0.823
26 HG SER 6 HG SER 6 25.374 -0.831 -1.445
27 H GLY 7 H GLY 7 22.468 -0.733 -1.466
28 HA2 GLY 7 1HA GLY 7 20.311 0.631 -0.535
29 HA3 GLY 7 2HA GLY 7 19.867 0.272 -2.197
30 H THR 8 H THR 8 18.864 -0.668 0.498
31 HA THR 8 HA THR 8 19.162 -3.563 0.033
32 HB THR 8 HB THR 8 18.242 -2.363 2.636
33 HG1 THR 8 HG1 THR 8 20.441 -2.556 3.312
34 HG21 THR 8 3HG2 THR 8 19.794 -4.879 2.447
35 HG22 THR 8 1HG2 THR 8 18.149 -4.910 1.811
36 HG23 THR 8 2HG2 THR 8 18.437 -4.460 3.492
37 H ARG 9 H ARG 9 17.372 -2.371 -1.572
38 HA ARG 9 HA ARG 9 14.767 -2.991 -0.340
39 HB2 ARG 9 1HB ARG 9 15.351 -1.076 -2.607
40 HB3 ARG 9 2HB ARG 9 13.756 -1.440 -1.961
41 HG2 ARG 9 1HG ARG 9 15.893 -0.386 -0.161
42 HG3 ARG 9 2HG ARG 9 14.991 0.709 -1.211
43 HD2 ARG 9 1HD ARG 9 13.461 -1.241 0.429
44 HD3 ARG 9 2HD ARG 9 14.186 0.141 1.249
45 HE ARG 9 HE ARG 9 11.945 0.171 -0.559
46 HH11 ARG 9 1HH1 ARG 9 14.509 2.036 0.878
47 HH12 ARG 9 2HH1 ARG 9 13.707 3.555 0.653
48 HH21 ARG 9 1HH2 ARG 9 10.879 2.165 -0.861
49 HH22 ARG 9 2HH2 ARG 9 11.642 3.627 -0.336
50 H GLU 10 H GLU 10 14.909 -5.193 -0.908
51 HA GLU 10 HA GLU 10 14.817 -5.748 -3.798
52 HB2 GLU 10 1HB GLU 10 15.615 -7.942 -3.357
53 HB3 GLU 10 2HB GLU 10 16.628 -6.848 -2.425
54 HG2 GLU 10 1HG GLU 10 14.899 -7.365 -0.526
55 HG3 GLU 10 2HG GLU 10 14.591 -8.805 -1.495
56 H LYS 11 H LYS 11 12.767 -5.149 -1.413
57 HA LYS 11 HA LYS 11 11.001 -7.285 -1.224
58 HB2 LYS 11 1HB LYS 11 10.773 -4.335 -0.911
59 HB3 LYS 11 2HB LYS 11 9.277 -5.248 -1.052
60 HG2 LYS 11 1HG LYS 11 9.817 -4.957 1.267
61 HG3 LYS 11 2HG LYS 11 9.999 -6.660 0.840
62 HD2 LYS 11 1HD LYS 11 11.936 -6.343 2.014
63 HD3 LYS 11 2HD LYS 11 12.495 -5.920 0.395
64 HE2 LYS 11 1HE LYS 11 13.299 -4.178 1.707
65 HE3 LYS 11 2HE LYS 11 11.813 -3.516 1.028
66 HZ1 LYS 11 3HZ LYS 11 12.503 -3.921 3.744
67 HZ2 LYS 11 1HZ LYS 11 11.089 -4.775 3.377
68 HZ3 LYS 11 2HZ LYS 11 11.169 -3.109 3.093
69 HA PRO 12 HA PRO 12 9.336 -7.645 -5.297
70 HB2 PRO 12 1HB PRO 12 7.149 -9.129 -4.677
71 HB3 PRO 12 2HB PRO 12 8.785 -9.796 -4.708
72 HG2 PRO 12 1HG PRO 12 7.158 -8.879 -2.368
73 HG3 PRO 12 2HG PRO 12 8.174 -10.324 -2.527
74 HD2 PRO 12 1HD PRO 12 9.005 -8.093 -1.236
75 HD3 PRO 12 2HD PRO 12 10.119 -9.155 -2.122
76 H TYR 13 H TYR 13 7.120 -6.805 -2.643
77 HA TYR 13 HA TYR 13 5.248 -5.544 -4.440
78 HB2 TYR 13 1HB TYR 13 5.374 -5.662 -1.421
79 HB3 TYR 13 2HB TYR 13 4.063 -4.918 -2.329
80 HD1 TYR 13 HD2 TYR 13 2.585 -6.332 -3.743
81 HD2 TYR 13 HD1 TYR 13 5.508 -8.027 -1.157
82 HE1 TYR 13 HE2 TYR 13 1.448 -8.508 -3.893
83 HE2 TYR 13 HE1 TYR 13 4.380 -10.208 -1.301
84 HH TYR 13 HH TYR 13 1.262 -10.577 -2.664
85 H GLU 14 H GLU 14 4.923 -3.386 -4.760
86 HA GLU 14 HA GLU 14 6.578 -1.475 -3.290
87 HB2 GLU 14 1HB GLU 14 6.807 -2.129 -6.170
88 HB3 GLU 14 2HB GLU 14 6.828 -0.420 -5.758
89 HG2 GLU 14 1HG GLU 14 8.833 -0.550 -4.705
90 HG3 GLU 14 2HG GLU 14 8.583 -2.218 -4.193
91 H CYS 15 H CYS 15 5.674 0.531 -3.056
92 HA CYS 15 HA CYS 15 2.862 0.743 -3.462
93 HB2 CYS 15 1HB CYS 15 4.061 1.769 -1.542
94 HB3 CYS 15 2HB CYS 15 4.823 2.901 -2.655
95 H SER 16 H SER 16 1.784 1.496 -5.159
96 HA SER 16 HA SER 16 3.214 2.492 -7.451
97 HB2 SER 16 1HB SER 16 1.315 0.958 -7.732
98 HB3 SER 16 2HB SER 16 0.240 2.146 -6.996
99 HG SER 16 HG SER 16 0.588 1.969 -9.470
100 H GLU 17 H GLU 17 2.503 3.987 -4.723
101 HA GLU 17 HA GLU 17 1.513 6.463 -5.949
102 HB2 GLU 17 1HB GLU 17 1.859 5.856 -3.010
103 HB3 GLU 17 2HB GLU 17 1.000 7.217 -3.717
104 HG2 GLU 17 1HG GLU 17 0.151 4.406 -4.282
105 HG3 GLU 17 2HG GLU 17 -0.351 5.231 -2.809
106 H CYS 18 H CYS 18 4.039 5.341 -3.703
107 HA CYS 18 HA CYS 18 5.638 7.696 -4.462
108 HB2 CYS 18 1HB CYS 18 6.837 7.351 -2.306
109 HB3 CYS 18 2HB CYS 18 5.127 7.720 -2.100
110 H GLY 19 H GLY 19 5.769 4.222 -3.787
111 HA2 GLY 19 1HA GLY 19 7.063 2.945 -5.501
112 HA3 GLY 19 2HA GLY 19 8.333 4.133 -5.254
113 H LYS 20 H LYS 20 6.800 3.479 -2.355
114 HA LYS 20 HA LYS 20 9.004 2.459 -1.058
115 HB2 LYS 20 1HB LYS 20 6.665 3.293 -0.179
116 HB3 LYS 20 2HB LYS 20 6.281 1.577 -0.189
117 HG2 LYS 20 1HG LYS 20 7.644 1.118 1.555
118 HG3 LYS 20 2HG LYS 20 8.818 2.359 1.109
119 HD2 LYS 20 1HD LYS 20 7.949 3.367 2.951
120 HD3 LYS 20 2HD LYS 20 6.777 3.946 1.765
121 HE2 LYS 20 1HE LYS 20 5.685 3.087 3.785
122 HE3 LYS 20 2HE LYS 20 5.256 2.147 2.357
123 HZ1 LYS 20 3HZ LYS 20 5.907 0.356 3.459
124 HZ2 LYS 20 1HZ LYS 20 6.490 1.280 4.751
125 HZ3 LYS 20 2HZ LYS 20 7.495 0.939 3.434
126 H ALA 21 H ALA 21 8.643 0.187 0.226
127 HA ALA 21 HA ALA 21 8.099 -1.893 -1.775
128 HB1 ALA 21 3HB ALA 21 10.661 -1.136 -1.064
129 HB2 ALA 21 1HB ALA 21 10.356 -2.572 -0.085
130 HB3 ALA 21 2HB ALA 21 10.193 -2.650 -1.839
131 H PHE 22 H PHE 22 7.800 -4.041 -0.841
132 HA PHE 22 HA PHE 22 7.407 -4.266 2.005
133 HB2 PHE 22 1HB PHE 22 4.983 -4.662 0.254
134 HB3 PHE 22 2HB PHE 22 5.057 -4.636 2.013
135 HD1 PHE 22 HD1 PHE 22 5.628 -2.480 -0.963
136 HD2 PHE 22 HD2 PHE 22 4.577 -2.684 3.156
137 HE1 PHE 22 HE1 PHE 22 5.095 -0.078 -0.984
138 HE2 PHE 22 HE2 PHE 22 4.042 -0.283 3.142
139 HZ PHE 22 HZ PHE 22 4.299 1.024 1.070
140 H ILE 23 H ILE 23 6.799 -6.455 2.653
141 HA ILE 23 HA ILE 23 7.990 -8.409 0.867
142 HB ILE 23 HB ILE 23 6.960 -8.757 3.685
143 HG12 ILE 23 1HG1 ILE 23 9.601 -8.940 3.967
144 HG13 ILE 23 2HG1 ILE 23 9.580 -7.901 2.546
145 HG21 ILE 23 1HG2 ILE 23 7.993 -10.614 1.690
146 HG22 ILE 23 2HG2 ILE 23 8.854 -10.688 3.227
147 HG23 ILE 23 3HG2 ILE 23 7.107 -10.929 3.182
148 HD11 ILE 23 3HD1 ILE 23 9.720 -6.714 4.735
149 HD12 ILE 23 1HD1 ILE 23 8.382 -6.212 3.703
150 HD13 ILE 23 2HD1 ILE 23 8.085 -7.279 5.076
151 H ARG 24 H ARG 24 4.867 -7.701 2.332
152 HA ARG 24 HA ARG 24 3.661 -9.710 0.550
153 HB2 ARG 24 1HB ARG 24 2.623 -9.052 3.307
154 HB3 ARG 24 2HB ARG 24 2.081 -10.337 2.235
155 HG2 ARG 24 1HG ARG 24 4.607 -11.093 2.465
156 HG3 ARG 24 2HG ARG 24 4.471 -10.199 3.981
157 HD2 ARG 24 1HD ARG 24 3.914 -12.457 4.458
158 HD3 ARG 24 2HD ARG 24 2.407 -11.543 4.469
159 HE ARG 24 HE ARG 24 2.446 -12.443 1.963
160 HH11 ARG 24 1HH1 ARG 24 3.075 -14.070 4.976
161 HH12 ARG 24 2HH1 ARG 24 2.517 -15.610 4.411
162 HH21 ARG 24 1HH2 ARG 24 1.708 -14.465 1.208
163 HH22 ARG 24 2HH2 ARG 24 1.741 -15.834 2.267
164 H ASN 25 H ASN 25 1.828 -9.107 -0.518
165 HA ASN 25 HA ASN 25 1.334 -6.520 -1.190
166 HB2 ASN 25 1HB ASN 25 0.288 -8.805 -2.027
167 HB3 ASN 25 2HB ASN 25 -1.037 -8.324 -0.971
168 HD21 ASN 25 1HD2 ASN 25 -0.610 -5.488 -1.407
169 HD22 ASN 25 2HD2 ASN 25 -1.199 -5.148 -2.996
170 H SER 26 H SER 26 -0.525 -8.340 1.250
171 HA SER 26 HA SER 26 -2.266 -6.456 2.126
172 HB2 SER 26 1HB SER 26 -1.888 -8.842 3.006
173 HB3 SER 26 2HB SER 26 -0.721 -8.118 4.111
174 HG SER 26 HG SER 26 -3.259 -8.313 4.513
175 H GLN 27 H GLN 27 1.171 -6.624 2.853
176 HA GLN 27 HA GLN 27 1.199 -4.591 4.824
177 HB2 GLN 27 1HB GLN 27 3.454 -5.432 2.996
178 HB3 GLN 27 2HB GLN 27 3.608 -4.576 4.524
179 HG2 GLN 27 1HG GLN 27 2.239 -7.209 4.530
180 HG3 GLN 27 2HG GLN 27 3.991 -7.177 4.333
181 HE21 GLN 27 1HE2 GLN 27 4.705 -7.872 6.245
182 HE22 GLN 27 2HE2 GLN 27 4.329 -7.151 7.769
183 H LEU 28 H LEU 28 1.818 -4.555 1.331
184 HA LEU 28 HA LEU 28 2.467 -1.816 1.155
185 HB2 LEU 28 1HB LEU 28 3.122 -3.095 -0.668
186 HB3 LEU 28 2HB LEU 28 1.552 -3.886 -0.800
187 HG LEU 28 HG LEU 28 0.589 -1.836 -1.714
188 HD11 LEU 28 1HD1 LEU 28 1.695 0.151 -1.946
189 HD12 LEU 28 2HD1 LEU 28 3.286 -0.609 -1.982
190 HD13 LEU 28 3HD1 LEU 28 2.425 -0.440 -0.453
191 HD21 LEU 28 3HD2 LEU 28 2.182 -1.733 -3.790
192 HD22 LEU 28 1HD2 LEU 28 1.257 -3.193 -3.442
193 HD23 LEU 28 2HD2 LEU 28 2.962 -3.104 -3.000
194 H ILE 29 H ILE 29 -0.561 -3.499 0.298
195 HA ILE 29 HA ILE 29 -2.160 -1.432 -0.409
196 HB ILE 29 HB ILE 29 -2.973 -3.703 1.409
197 HG12 ILE 29 1HG1 ILE 29 -3.407 -3.560 -1.561
198 HG13 ILE 29 2HG1 ILE 29 -1.885 -4.156 -0.907
199 HG21 ILE 29 1HG2 ILE 29 -4.675 -2.053 1.505
200 HG22 ILE 29 2HG2 ILE 29 -4.594 -1.773 -0.234
201 HG23 ILE 29 3HG2 ILE 29 -5.235 -3.295 0.384
202 HD11 ILE 29 3HD1 ILE 29 -4.475 -5.452 -1.092
203 HD12 ILE 29 1HD1 ILE 29 -2.867 -6.148 -0.892
204 HD13 ILE 29 2HD1 ILE 29 -3.758 -5.567 0.515
205 H VAL 30 H VAL 30 -1.565 -2.471 2.944
206 HA VAL 30 HA VAL 30 -3.166 -0.626 4.254
207 HB VAL 30 HB VAL 30 -0.504 -1.727 5.167
208 HG11 VAL 30 1HG1 VAL 30 -2.018 0.309 6.310
209 HG12 VAL 30 2HG1 VAL 30 -2.417 -1.132 7.247
210 HG13 VAL 30 3HG1 VAL 30 -0.736 -0.622 7.084
211 HG21 VAL 30 3HG2 VAL 30 -3.136 -2.737 6.125
212 HG22 VAL 30 1HG2 VAL 30 -2.562 -3.246 4.537
213 HG23 VAL 30 2HG2 VAL 30 -1.592 -3.576 5.973
214 H HIS 31 H HIS 31 0.106 -0.264 2.993
215 HA HIS 31 HA HIS 31 0.505 2.341 4.114
216 HB2 HIS 31 1HB HIS 31 2.460 1.048 3.668
217 HB3 HIS 31 2HB HIS 31 1.975 0.767 1.999
218 HD1 HIS 31 HD1 HIS 31 3.310 3.482 4.247
219 HD2 HIS 31 HD2 HIS 31 2.757 2.705 0.204
220 HE1 HIS 31 HE1 HIS 31 4.523 5.322 3.037
221 H GLN 32 H GLN 32 -1.075 1.110 1.333
222 HA GLN 32 HA GLN 32 -0.902 3.572 -0.178
223 HB2 GLN 32 1HB GLN 32 -2.373 0.977 -0.620
224 HB3 GLN 32 2HB GLN 32 -2.549 2.361 -1.691
225 HG2 GLN 32 1HG GLN 32 -0.003 2.277 -1.911
226 HG3 GLN 32 2HG GLN 32 -0.128 0.670 -1.198
227 HE21 GLN 32 1HE2 GLN 32 0.492 1.890 -3.967
228 HE22 GLN 32 2HE2 GLN 32 -0.422 0.893 -5.042
229 H ARG 33 H ARG 33 -3.023 2.107 2.123
230 HA ARG 33 HA ARG 33 -5.464 3.258 1.566
231 HB2 ARG 33 1HB ARG 33 -4.219 2.854 4.292
232 HB3 ARG 33 2HB ARG 33 -5.931 3.102 3.979
233 HG2 ARG 33 1HG ARG 33 -5.918 1.019 2.618
234 HG3 ARG 33 2HG ARG 33 -4.253 0.753 3.137
235 HD2 ARG 33 1HD ARG 33 -5.036 0.797 5.491
236 HD3 ARG 33 2HD ARG 33 -6.692 0.923 4.901
237 HE ARG 33 HE ARG 33 -5.010 -1.430 4.894
238 HH11 ARG 33 1HH1 ARG 33 -7.869 0.114 3.644
239 HH12 ARG 33 2HH1 ARG 33 -8.635 -1.374 3.197
240 HH21 ARG 33 1HH2 ARG 33 -6.009 -3.396 4.310
241 HH22 ARG 33 2HH2 ARG 33 -7.577 -3.370 3.577
242 H THR 34 H THR 34 -2.684 4.683 3.215
243 HA THR 34 HA THR 34 -3.982 7.110 3.926
244 HB THR 34 HB THR 34 -1.926 6.311 5.050
245 HG1 THR 34 HG1 THR 34 -2.584 8.642 4.825
246 HG21 THR 34 3HG2 THR 34 0.113 6.119 4.034
247 HG22 THR 34 1HG2 THR 34 -0.245 7.358 2.832
248 HG23 THR 34 2HG2 THR 34 -0.922 5.738 2.658
249 H HIS 35 H HIS 35 -2.067 6.080 1.150
250 HA HIS 35 HA HIS 35 -1.757 8.606 -0.052
251 HB2 HIS 35 1HB HIS 35 -1.554 5.779 -0.964
252 HB3 HIS 35 2HB HIS 35 -1.684 7.026 -2.200
253 HD1 HIS 35 HD1 HIS 35 0.207 8.987 -1.980
254 HD2 HIS 35 HD2 HIS 35 0.966 5.395 -0.036
255 HE1 HIS 35 HE1 HIS 35 2.681 8.975 -1.531
256 H SER 36 H SER 36 -4.322 6.202 -0.222
257 HA SER 36 HA SER 36 -5.761 7.323 -2.364
258 HB2 SER 36 1HB SER 36 -6.215 5.061 -1.595
259 HB3 SER 36 2HB SER 36 -6.731 5.667 -0.021
260 HG SER 36 HG SER 36 -8.165 5.390 -2.268
261 H GLY 37 H GLY 37 -7.682 8.586 -2.358
262 HA2 GLY 37 1HA GLY 37 -9.165 9.731 -0.496
263 HA3 GLY 37 2HA GLY 37 -7.664 10.611 -0.252
264 H GLU 38 H GLU 38 -10.414 10.136 -2.313
265 HA GLU 38 HA GLU 38 -11.182 11.238 -4.161
266 HB2 GLU 38 1HB GLU 38 -9.992 13.396 -2.448
267 HB3 GLU 38 2HB GLU 38 -10.725 13.792 -3.996
268 HG2 GLU 38 1HG GLU 38 -12.157 12.275 -1.835
269 HG3 GLU 38 2HG GLU 38 -12.211 14.029 -1.992
270 H SER 39 H SER 39 -8.781 9.933 -4.669
271 HA SER 39 HA SER 39 -7.042 11.763 -6.097
272 HB2 SER 39 1HB SER 39 -6.066 9.874 -4.855
273 HB3 SER 39 2HB SER 39 -6.951 8.743 -5.879
274 HG SER 39 HG SER 39 -5.342 10.637 -7.142
275 H GLY 40 H GLY 40 -9.065 8.943 -6.916
276 HA2 GLY 40 1HA GLY 40 -9.226 10.013 -9.668
277 HA3 GLY 40 2HA GLY 40 -9.125 8.292 -9.324
278 HA PRO 41 HA PRO 41 -13.589 9.267 -9.883
279 HB2 PRO 41 1HB PRO 41 -14.142 6.975 -11.228
280 HB3 PRO 41 2HB PRO 41 -13.526 8.430 -12.021
281 HG2 PRO 41 1HG PRO 41 -12.048 5.974 -11.157
282 HG3 PRO 41 2HG PRO 41 -11.898 6.898 -12.663
283 HD2 PRO 41 1HD PRO 41 -10.150 7.160 -10.612
284 HD3 PRO 41 2HD PRO 41 -10.567 8.508 -11.689
285 H SER 42 H SER 42 -11.767 7.169 -8.083
286 HA SER 42 HA SER 42 -13.549 5.175 -7.277
287 HB2 SER 42 1HB SER 42 -11.205 6.498 -5.932
288 HB3 SER 42 2HB SER 42 -12.155 5.272 -5.094
289 HG SER 42 HG SER 42 -10.197 4.692 -6.512
290 H SER 43 H SER 43 -15.050 5.017 -5.643
291 HA SER 43 HA SER 43 -16.745 7.091 -5.121
292 HB2 SER 43 1HB SER 43 -17.352 4.796 -4.611
293 HB3 SER 43 2HB SER 43 -16.135 4.723 -3.336
294 HG SER 43 HG SER 43 -18.600 6.057 -3.380
295 H GLY 44 H GLY 44 -16.968 8.688 -3.609
296 HA2 GLY 44 1HA GLY 44 -15.051 8.882 -1.422
297 HA3 GLY 44 2HA GLY 44 -14.964 10.145 -2.641
Start of MODEL 20
1 H1 GLY 1 H GLY 1 27.089 13.576 3.033
2 HA2 GLY 1 1HA GLY 1 24.869 13.502 1.605
3 HA3 GLY 1 2HA GLY 1 26.047 13.567 0.302
4 H SER 2 H SER 2 24.404 11.453 0.337
5 HA SER 2 HA SER 2 26.206 9.260 0.545
6 HB2 SER 2 1HB SER 2 25.050 7.957 2.245
7 HB3 SER 2 2HB SER 2 25.565 9.496 2.935
8 HG SER 2 HG SER 2 23.012 8.541 2.413
9 H SER 3 H SER 3 25.350 7.315 -0.352
10 HA SER 3 HA SER 3 23.347 7.807 -2.349
11 HB2 SER 3 1HB SER 3 25.204 5.572 -1.680
12 HB3 SER 3 2HB SER 3 23.783 5.196 -2.653
13 HG SER 3 HG SER 3 24.550 6.371 -4.266
14 H GLY 4 H GLY 4 23.620 5.414 0.289
15 HA2 GLY 4 1HA GLY 4 22.000 4.479 1.629
16 HA3 GLY 4 2HA GLY 4 20.912 5.750 1.091
17 H SER 5 H SER 5 22.461 2.804 -0.186
18 HA SER 5 HA SER 5 19.987 1.581 -0.832
19 HB2 SER 5 1HB SER 5 20.269 1.609 -3.323
20 HB3 SER 5 2HB SER 5 19.878 3.185 -2.633
21 HG SER 5 HG SER 5 22.144 2.347 -3.939
22 H SER 6 H SER 6 20.234 -0.567 -1.335
23 HA SER 6 HA SER 6 22.871 -1.661 -0.903
24 HB2 SER 6 1HB SER 6 20.104 -2.789 -1.097
25 HB3 SER 6 2HB SER 6 21.486 -3.867 -1.285
26 HG SER 6 HG SER 6 20.937 -2.180 0.931
27 H GLY 7 H GLY 7 20.442 -1.752 -3.500
28 HA2 GLY 7 1HA GLY 7 22.232 -1.554 -5.610
29 HA3 GLY 7 2HA GLY 7 22.041 -3.272 -5.289
30 H THR 8 H THR 8 20.229 -4.311 -5.963
31 HA THR 8 HA THR 8 18.380 -2.730 -7.602
32 HB THR 8 HB THR 8 19.518 -4.615 -8.715
33 HG1 THR 8 HG1 THR 8 17.417 -5.699 -9.327
34 HG21 THR 8 3HG2 THR 8 19.793 -6.558 -7.664
35 HG22 THR 8 1HG2 THR 8 18.048 -6.806 -7.680
36 HG23 THR 8 2HG2 THR 8 18.810 -5.987 -6.317
37 H ARG 9 H ARG 9 16.091 -3.295 -7.580
38 HA ARG 9 HA ARG 9 14.867 -3.066 -5.158
39 HB2 ARG 9 1HB ARG 9 13.989 -4.102 -7.803
40 HB3 ARG 9 2HB ARG 9 12.938 -4.416 -6.428
41 HG2 ARG 9 1HG ARG 9 12.064 -2.435 -7.086
42 HG3 ARG 9 2HG ARG 9 13.334 -1.822 -6.025
43 HD2 ARG 9 1HD ARG 9 14.774 -1.909 -8.212
44 HD3 ARG 9 2HD ARG 9 13.201 -1.868 -9.005
45 HE ARG 9 HE ARG 9 13.591 0.170 -7.000
46 HH11 ARG 9 1HH1 ARG 9 13.924 -0.689 -10.357
47 HH12 ARG 9 2HH1 ARG 9 13.930 0.953 -10.912
48 HH21 ARG 9 1HH2 ARG 9 13.597 2.335 -7.717
49 HH22 ARG 9 2HH2 ARG 9 13.745 2.672 -9.409
50 H GLU 10 H GLU 10 14.469 -4.330 -3.454
51 HA GLU 10 HA GLU 10 15.186 -7.169 -3.655
52 HB2 GLU 10 1HB GLU 10 14.849 -5.449 -1.192
53 HB3 GLU 10 2HB GLU 10 15.411 -7.115 -1.220
54 HG2 GLU 10 1HG GLU 10 17.428 -6.517 -2.294
55 HG3 GLU 10 2HG GLU 10 16.838 -4.894 -2.650
56 H LYS 11 H LYS 11 12.691 -5.020 -2.329
57 HA LYS 11 HA LYS 11 10.947 -7.254 -1.732
58 HB2 LYS 11 1HB LYS 11 10.913 -4.320 -1.253
59 HB3 LYS 11 2HB LYS 11 9.358 -5.137 -1.332
60 HG2 LYS 11 1HG LYS 11 9.737 -6.345 0.577
61 HG3 LYS 11 2HG LYS 11 11.492 -6.279 0.400
62 HD2 LYS 11 1HD LYS 11 11.447 -3.892 0.980
63 HD3 LYS 11 2HD LYS 11 9.696 -3.981 1.181
64 HE2 LYS 11 1HE LYS 11 9.855 -5.267 3.102
65 HE3 LYS 11 2HE LYS 11 11.480 -5.829 2.712
66 HZ1 LYS 11 3HZ LYS 11 12.011 -4.305 4.272
67 HZ2 LYS 11 1HZ LYS 11 10.629 -3.365 4.011
68 HZ3 LYS 11 2HZ LYS 11 11.946 -3.243 2.957
69 HA PRO 12 HA PRO 12 8.978 -7.306 -5.686
70 HB2 PRO 12 1HB PRO 12 6.784 -8.742 -4.984
71 HB3 PRO 12 2HB PRO 12 8.384 -9.467 -5.182
72 HG2 PRO 12 1HG PRO 12 6.978 -8.634 -2.673
73 HG3 PRO 12 2HG PRO 12 7.918 -10.104 -2.994
74 HD2 PRO 12 1HD PRO 12 8.937 -7.989 -1.645
75 HD3 PRO 12 2HD PRO 12 9.935 -9.035 -2.675
76 H TYR 13 H TYR 13 6.834 -6.726 -2.891
77 HA TYR 13 HA TYR 13 4.963 -5.218 -4.450
78 HB2 TYR 13 1HB TYR 13 5.244 -5.523 -1.454
79 HB3 TYR 13 2HB TYR 13 3.884 -4.755 -2.265
80 HD1 TYR 13 HD2 TYR 13 2.372 -6.128 -3.697
81 HD2 TYR 13 HD1 TYR 13 5.399 -7.890 -1.280
82 HE1 TYR 13 HE2 TYR 13 1.253 -8.309 -3.894
83 HE2 TYR 13 HE1 TYR 13 4.288 -10.076 -1.472
84 HH TYR 13 HH TYR 13 1.584 -10.579 -3.626
85 H GLU 14 H GLU 14 5.011 -3.124 -4.928
86 HA GLU 14 HA GLU 14 6.626 -1.320 -3.264
87 HB2 GLU 14 1HB GLU 14 6.902 -1.890 -6.155
88 HB3 GLU 14 2HB GLU 14 6.971 -0.194 -5.695
89 HG2 GLU 14 1HG GLU 14 8.943 -0.422 -4.597
90 HG3 GLU 14 2HG GLU 14 8.623 -2.093 -4.138
91 H CYS 15 H CYS 15 5.849 0.757 -3.040
92 HA CYS 15 HA CYS 15 3.046 1.103 -3.475
93 HB2 CYS 15 1HB CYS 15 4.252 2.006 -1.495
94 HB3 CYS 15 2HB CYS 15 5.087 3.138 -2.555
95 H SER 16 H SER 16 2.048 1.957 -5.172
96 HA SER 16 HA SER 16 3.595 2.992 -7.378
97 HB2 SER 16 1HB SER 16 1.550 1.468 -7.573
98 HB3 SER 16 2HB SER 16 0.584 2.896 -7.203
99 HG SER 16 HG SER 16 1.124 3.778 -9.094
100 H GLU 17 H GLU 17 3.146 4.461 -4.717
101 HA GLU 17 HA GLU 17 2.169 6.987 -5.879
102 HB2 GLU 17 1HB GLU 17 2.265 6.360 -2.934
103 HB3 GLU 17 2HB GLU 17 1.402 7.664 -3.737
104 HG2 GLU 17 1HG GLU 17 0.696 4.866 -4.439
105 HG3 GLU 17 2HG GLU 17 0.167 5.505 -2.883
106 H CYS 18 H CYS 18 4.460 5.651 -3.506
107 HA CYS 18 HA CYS 18 6.202 7.973 -4.011
108 HB2 CYS 18 1HB CYS 18 7.183 7.537 -1.784
109 HB3 CYS 18 2HB CYS 18 5.459 7.885 -1.694
110 H GLY 19 H GLY 19 6.077 4.471 -3.616
111 HA2 GLY 19 1HA GLY 19 7.479 3.217 -5.226
112 HA3 GLY 19 2HA GLY 19 8.774 4.333 -4.819
113 H LYS 20 H LYS 20 6.953 3.589 -2.103
114 HA LYS 20 HA LYS 20 8.987 2.445 -0.653
115 HB2 LYS 20 1HB LYS 20 6.570 3.260 0.020
116 HB3 LYS 20 2HB LYS 20 6.184 1.550 -0.123
117 HG2 LYS 20 1HG LYS 20 7.525 0.961 1.657
118 HG3 LYS 20 2HG LYS 20 8.524 2.410 1.519
119 HD2 LYS 20 1HD LYS 20 6.967 3.743 2.593
120 HD3 LYS 20 2HD LYS 20 5.625 2.662 2.209
121 HE2 LYS 20 1HE LYS 20 5.908 2.212 4.440
122 HE3 LYS 20 2HE LYS 20 6.956 0.986 3.727
123 HZ1 LYS 20 3HZ LYS 20 8.391 1.851 5.224
124 HZ2 LYS 20 1HZ LYS 20 7.656 3.374 5.246
125 HZ3 LYS 20 2HZ LYS 20 8.690 2.953 3.976
126 H ALA 21 H ALA 21 8.677 0.134 0.407
127 HA ALA 21 HA ALA 21 8.100 -1.858 -1.663
128 HB1 ALA 21 3HB ALA 21 10.215 -2.460 -1.963
129 HB2 ALA 21 1HB ALA 21 10.704 -1.070 -0.994
130 HB3 ALA 21 2HB ALA 21 10.460 -2.639 -0.226
131 H PHE 22 H PHE 22 7.715 -3.979 -0.859
132 HA PHE 22 HA PHE 22 7.603 -4.377 2.011
133 HB2 PHE 22 1HB PHE 22 5.085 -4.562 0.344
134 HB3 PHE 22 2HB PHE 22 5.227 -4.910 2.064
135 HD1 PHE 22 HD1 PHE 22 5.308 -2.240 -0.470
136 HD2 PHE 22 HD2 PHE 22 5.193 -3.176 3.680
137 HE1 PHE 22 HE1 PHE 22 4.791 0.110 0.041
138 HE2 PHE 22 HE2 PHE 22 4.674 -0.828 4.199
139 HZ PHE 22 HZ PHE 22 4.471 0.819 2.378
140 H ILE 23 H ILE 23 6.673 -6.633 2.485
141 HA ILE 23 HA ILE 23 7.892 -8.482 0.570
142 HB ILE 23 HB ILE 23 7.006 -8.994 3.412
143 HG12 ILE 23 1HG1 ILE 23 9.863 -8.881 2.518
144 HG13 ILE 23 2HG1 ILE 23 9.009 -7.381 2.863
145 HG21 ILE 23 1HG2 ILE 23 7.113 -10.926 1.726
146 HG22 ILE 23 2HG2 ILE 23 8.860 -10.701 1.789
147 HG23 ILE 23 3HG2 ILE 23 7.971 -11.113 3.255
148 HD11 ILE 23 3HD1 ILE 23 9.333 -9.672 4.786
149 HD12 ILE 23 1HD1 ILE 23 10.299 -8.197 4.777
150 HD13 ILE 23 2HD1 ILE 23 8.571 -8.118 5.122
151 H ARG 24 H ARG 24 4.874 -7.897 2.308
152 HA ARG 24 HA ARG 24 3.555 -9.818 0.503
153 HB2 ARG 24 1HB ARG 24 2.837 -9.171 3.368
154 HB3 ARG 24 2HB ARG 24 1.911 -10.223 2.306
155 HG2 ARG 24 1HG ARG 24 4.793 -10.792 2.854
156 HG3 ARG 24 2HG ARG 24 3.545 -11.264 4.010
157 HD2 ARG 24 1HD ARG 24 3.377 -11.992 1.101
158 HD3 ARG 24 2HD ARG 24 4.256 -12.988 2.261
159 HE ARG 24 HE ARG 24 1.399 -12.732 2.000
160 HH11 ARG 24 1HH1 ARG 24 4.032 -13.595 4.109
161 HH12 ARG 24 2HH1 ARG 24 3.060 -14.613 5.119
162 HH21 ARG 24 1HH2 ARG 24 0.110 -14.070 3.323
163 HH22 ARG 24 2HH2 ARG 24 0.830 -14.883 4.671
164 H ASN 25 H ASN 25 1.779 -9.138 -0.577
165 HA ASN 25 HA ASN 25 1.300 -6.537 -1.179
166 HB2 ASN 25 1HB ASN 25 0.220 -8.795 -2.053
167 HB3 ASN 25 2HB ASN 25 -1.095 -8.311 -0.985
168 HD21 ASN 25 1HD2 ASN 25 -0.819 -5.517 -1.317
169 HD22 ASN 25 2HD2 ASN 25 -1.330 -5.125 -2.920
170 H SER 26 H SER 26 -0.515 -8.390 1.267
171 HA SER 26 HA SER 26 -2.283 -6.590 2.201
172 HB2 SER 26 1HB SER 26 -0.514 -8.397 3.863
173 HB3 SER 26 2HB SER 26 -1.941 -7.567 4.485
174 HG SER 26 HG SER 26 -3.220 -8.851 3.327
175 H GLN 27 H GLN 27 1.180 -6.582 2.884
176 HA GLN 27 HA GLN 27 1.160 -4.481 4.765
177 HB2 GLN 27 1HB GLN 27 3.425 -5.161 2.890
178 HB3 GLN 27 2HB GLN 27 3.535 -4.388 4.466
179 HG2 GLN 27 1HG GLN 27 2.386 -6.648 5.235
180 HG3 GLN 27 2HG GLN 27 3.166 -7.242 3.770
181 HE21 GLN 27 1HE2 GLN 27 3.589 -7.432 6.831
182 HE22 GLN 27 2HE2 GLN 27 5.296 -7.217 6.996
183 H LEU 28 H LEU 28 1.884 -4.473 1.277
184 HA LEU 28 HA LEU 28 2.350 -1.756 0.969
185 HB2 LEU 28 1HB LEU 28 2.859 -3.202 -0.826
186 HB3 LEU 28 2HB LEU 28 1.207 -3.814 -0.897
187 HG LEU 28 HG LEU 28 0.431 -1.724 -1.831
188 HD11 LEU 28 1HD1 LEU 28 1.746 0.171 -2.158
189 HD12 LEU 28 2HD1 LEU 28 3.252 -0.715 -1.917
190 HD13 LEU 28 3HD1 LEU 28 2.197 -0.379 -0.544
191 HD21 LEU 28 3HD2 LEU 28 2.530 -3.330 -3.079
192 HD22 LEU 28 1HD2 LEU 28 2.328 -1.733 -3.799
193 HD23 LEU 28 2HD2 LEU 28 0.955 -2.836 -3.701
194 H ILE 29 H ILE 29 -0.721 -3.488 0.425
195 HA ILE 29 HA ILE 29 -2.372 -1.416 -0.212
196 HB ILE 29 HB ILE 29 -3.042 -3.721 1.622
197 HG12 ILE 29 1HG1 ILE 29 -3.621 -3.469 -1.327
198 HG13 ILE 29 2HG1 ILE 29 -2.135 -4.195 -0.724
199 HG21 ILE 29 1HG2 ILE 29 -4.861 -1.891 0.062
200 HG22 ILE 29 2HG2 ILE 29 -5.368 -3.324 0.953
201 HG23 ILE 29 3HG2 ILE 29 -4.689 -1.944 1.816
202 HD11 ILE 29 3HD1 ILE 29 -3.366 -5.926 0.382
203 HD12 ILE 29 1HD1 ILE 29 -4.898 -5.151 -0.022
204 HD13 ILE 29 2HD1 ILE 29 -3.891 -5.834 -1.299
205 H VAL 30 H VAL 30 -1.569 -2.480 3.089
206 HA VAL 30 HA VAL 30 -3.094 -0.633 4.498
207 HB VAL 30 HB VAL 30 -0.415 -1.803 5.257
208 HG11 VAL 30 1HG1 VAL 30 -1.100 0.264 6.519
209 HG12 VAL 30 2HG1 VAL 30 -2.494 -0.648 7.103
210 HG13 VAL 30 3HG1 VAL 30 -0.860 -1.179 7.504
211 HG21 VAL 30 3HG2 VAL 30 -3.053 -2.714 6.323
212 HG22 VAL 30 1HG2 VAL 30 -2.501 -3.284 4.748
213 HG23 VAL 30 2HG2 VAL 30 -1.532 -3.596 6.188
214 H HIS 31 H HIS 31 0.057 -0.281 2.990
215 HA HIS 31 HA HIS 31 0.507 2.337 4.125
216 HB2 HIS 31 1HB HIS 31 2.434 0.935 3.700
217 HB3 HIS 31 2HB HIS 31 1.992 0.775 2.003
218 HD1 HIS 31 HD1 HIS 31 3.530 3.155 4.440
219 HD2 HIS 31 HD2 HIS 31 2.668 2.953 0.381
220 HE1 HIS 31 HE1 HIS 31 4.771 5.076 3.393
221 H GLN 32 H GLN 32 -1.088 1.035 1.397
222 HA GLN 32 HA GLN 32 -0.896 3.457 -0.186
223 HB2 GLN 32 1HB GLN 32 -2.386 0.864 -0.595
224 HB3 GLN 32 2HB GLN 32 -2.469 2.215 -1.717
225 HG2 GLN 32 1HG GLN 32 0.044 2.059 -1.891
226 HG3 GLN 32 2HG GLN 32 -0.084 0.530 -1.023
227 HE21 GLN 32 1HE2 GLN 32 0.365 1.690 -3.957
228 HE22 GLN 32 2HE2 GLN 32 -0.435 0.498 -4.918
229 H ARG 33 H ARG 33 -2.944 2.133 2.217
230 HA ARG 33 HA ARG 33 -5.421 3.225 1.573
231 HB2 ARG 33 1HB ARG 33 -4.172 2.806 4.294
232 HB3 ARG 33 2HB ARG 33 -5.874 3.152 4.019
233 HG2 ARG 33 1HG ARG 33 -5.886 1.060 2.559
234 HG3 ARG 33 2HG ARG 33 -4.327 0.689 3.299
235 HD2 ARG 33 1HD ARG 33 -6.023 -0.445 4.543
236 HD3 ARG 33 2HD ARG 33 -5.423 0.887 5.530
237 HE ARG 33 HE ARG 33 -8.056 0.664 4.307
238 HH11 ARG 33 1HH1 ARG 33 -5.757 2.593 6.072
239 HH12 ARG 33 2HH1 ARG 33 -6.946 3.710 6.656
240 HH21 ARG 33 1HH2 ARG 33 -9.631 2.128 5.070
241 HH22 ARG 33 2HH2 ARG 33 -9.149 3.444 6.086
242 H THR 34 H THR 34 -2.610 4.694 3.092
243 HA THR 34 HA THR 34 -3.967 7.153 3.715
244 HB THR 34 HB THR 34 -2.043 6.359 5.057
245 HG1 THR 34 HG1 THR 34 -1.498 8.834 3.752
246 HG21 THR 34 3HG2 THR 34 -0.762 5.499 3.054
247 HG22 THR 34 1HG2 THR 34 0.186 6.405 4.232
248 HG23 THR 34 2HG2 THR 34 -0.315 7.173 2.726
249 H HIS 35 H HIS 35 -2.217 5.858 1.023
250 HA HIS 35 HA HIS 35 -1.697 8.419 -0.199
251 HB2 HIS 35 1HB HIS 35 -1.207 5.567 -0.909
252 HB3 HIS 35 2HB HIS 35 -1.259 6.740 -2.222
253 HD1 HIS 35 HD1 HIS 35 0.436 8.880 -1.802
254 HD2 HIS 35 HD2 HIS 35 1.228 5.355 0.249
255 HE1 HIS 35 HE1 HIS 35 2.839 9.047 -1.081
256 H SER 36 H SER 36 -4.493 7.091 0.395
257 HA SER 36 HA SER 36 -5.713 7.036 -2.211
258 HB2 SER 36 1HB SER 36 -6.435 5.717 -0.108
259 HB3 SER 36 2HB SER 36 -7.219 7.216 0.391
260 HG SER 36 HG SER 36 -8.705 6.010 -0.746
261 H GLY 37 H GLY 37 -5.789 9.226 0.589
262 HA2 GLY 37 1HA GLY 37 -7.272 11.194 -0.993
263 HA3 GLY 37 2HA GLY 37 -6.968 11.272 0.737
264 H GLU 38 H GLU 38 -5.546 11.735 -2.447
265 HA GLU 38 HA GLU 38 -3.487 13.432 -1.195
266 HB2 GLU 38 1HB GLU 38 -2.763 11.278 -2.427
267 HB3 GLU 38 2HB GLU 38 -3.171 12.151 -3.897
268 HG2 GLU 38 1HG GLU 38 -1.616 13.989 -2.813
269 HG3 GLU 38 2HG GLU 38 -0.946 12.584 -1.984
270 H SER 39 H SER 39 -3.295 15.491 -1.881
271 HA SER 39 HA SER 39 -5.390 16.636 -3.418
272 HB2 SER 39 1HB SER 39 -4.103 17.784 -1.569
273 HB3 SER 39 2HB SER 39 -2.762 17.949 -2.702
274 HG SER 39 HG SER 39 -4.136 19.802 -2.645
275 H GLY 40 H GLY 40 -5.457 15.878 -5.495
276 HA2 GLY 40 1HA GLY 40 -4.084 17.117 -7.508
277 HA3 GLY 40 2HA GLY 40 -3.108 15.703 -7.139
278 HA PRO 41 HA PRO 41 -7.116 14.780 -9.698
279 HB2 PRO 41 1HB PRO 41 -6.438 15.555 -12.210
280 HB3 PRO 41 2HB PRO 41 -7.296 16.607 -11.079
281 HG2 PRO 41 1HG PRO 41 -4.383 16.540 -11.766
282 HG3 PRO 41 2HG PRO 41 -5.450 17.940 -11.552
283 HD2 PRO 41 1HD PRO 41 -3.740 17.103 -9.626
284 HD3 PRO 41 2HD PRO 41 -5.303 17.860 -9.253
285 H SER 42 H SER 42 -6.214 12.700 -9.167
286 HA SER 42 HA SER 42 -4.435 11.592 -11.235
287 HB2 SER 42 1HB SER 42 -4.769 11.029 -8.322
288 HB3 SER 42 2HB SER 42 -4.294 9.698 -9.377
289 HG SER 42 HG SER 42 -2.933 12.114 -9.658
290 H SER 43 H SER 43 -5.252 10.175 -12.622
291 HA SER 43 HA SER 43 -7.851 8.944 -11.989
292 HB2 SER 43 1HB SER 43 -8.049 10.371 -13.910
293 HB3 SER 43 2HB SER 43 -6.607 9.673 -14.647
294 HG SER 43 HG SER 43 -8.770 8.901 -15.379
295 H GLY 44 H GLY 44 -4.925 8.282 -13.929
296 HA2 GLY 44 1HA GLY 44 -5.168 5.645 -14.453
297 HA3 GLY 44 2HA GLY 44 -3.629 6.366 -14.007