Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505077 | 2eol RC | 11166 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -12.332 1.740 -22.862
2 HA2 GLY 1 1HA GLY 1 -14.732 0.503 -23.087
3 HA3 GLY 1 2HA GLY 1 -13.653 -0.590 -23.941
4 H SER 2 H SER 2 -14.620 0.665 -20.861
5 HA SER 2 HA SER 2 -13.037 -1.442 -19.561
6 HB2 SER 2 1HB SER 2 -13.393 1.342 -18.429
7 HB3 SER 2 2HB SER 2 -12.439 0.031 -17.735
8 HG SER 2 HG SER 2 -11.064 1.404 -18.839
9 H SER 3 H SER 3 -14.588 -2.824 -18.956
10 HA SER 3 HA SER 3 -16.436 -2.066 -16.914
11 HB2 SER 3 1HB SER 3 -17.620 -1.279 -18.980
12 HB3 SER 3 2HB SER 3 -17.637 -2.948 -19.549
13 HG SER 3 HG SER 3 -19.225 -1.721 -17.704
14 H GLY 4 H GLY 4 -17.576 -3.891 -16.015
15 HA2 GLY 4 1HA GLY 4 -17.936 -6.149 -15.597
16 HA3 GLY 4 2HA GLY 4 -17.002 -6.535 -17.035
17 H SER 5 H SER 5 -16.984 -6.269 -13.631
18 HA SER 5 HA SER 5 -14.299 -7.378 -13.546
19 HB2 SER 5 1HB SER 5 -13.441 -5.764 -11.960
20 HB3 SER 5 2HB SER 5 -14.006 -4.899 -13.390
21 HG SER 5 HG SER 5 -14.775 -3.849 -11.574
22 H SER 6 H SER 6 -13.828 -8.487 -11.610
23 HA SER 6 HA SER 6 -16.129 -8.871 -9.811
24 HB2 SER 6 1HB SER 6 -14.396 -10.913 -11.168
25 HB3 SER 6 2HB SER 6 -15.149 -11.288 -9.618
26 HG SER 6 HG SER 6 -16.365 -11.825 -11.607
27 H GLY 7 H GLY 7 -15.708 -8.670 -7.701
28 HA2 GLY 7 1HA GLY 7 -14.362 -9.066 -5.760
29 HA3 GLY 7 2HA GLY 7 -12.932 -8.974 -6.777
30 H GLU 8 H GLU 8 -13.039 -7.571 -4.425
31 HA GLU 8 HA GLU 8 -13.252 -4.796 -5.387
32 HB2 GLU 8 1HB GLU 8 -13.878 -4.112 -3.109
33 HB3 GLU 8 2HB GLU 8 -15.050 -5.224 -3.803
34 HG2 GLU 8 1HG GLU 8 -12.854 -6.118 -1.962
35 HG3 GLU 8 2HG GLU 8 -14.438 -5.601 -1.389
36 H LYS 9 H LYS 9 -11.901 -3.271 -4.036
37 HA LYS 9 HA LYS 9 -9.301 -4.541 -3.507
38 HB2 LYS 9 1HB LYS 9 -9.805 -1.614 -4.042
39 HB3 LYS 9 2HB LYS 9 -8.263 -2.461 -4.067
40 HG2 LYS 9 1HG LYS 9 -8.908 -3.669 -6.051
41 HG3 LYS 9 2HG LYS 9 -10.522 -2.955 -5.997
42 HD2 LYS 9 1HD LYS 9 -9.623 -0.763 -6.411
43 HD3 LYS 9 2HD LYS 9 -7.970 -1.371 -6.285
44 HE2 LYS 9 1HE LYS 9 -8.069 -2.440 -8.329
45 HE3 LYS 9 2HE LYS 9 -9.828 -2.554 -8.302
46 HZ1 LYS 9 3HZ LYS 9 -9.246 0.141 -8.294
47 HZ2 LYS 9 1HZ LYS 9 -9.855 -0.765 -9.587
48 HZ3 LYS 9 2HZ LYS 9 -8.187 -0.534 -9.427
49 HA PRO 10 HA PRO 10 -10.514 -3.458 0.733
50 HB2 PRO 10 1HB PRO 10 -8.789 -5.205 1.891
51 HB3 PRO 10 2HB PRO 10 -10.369 -5.689 1.263
52 HG2 PRO 10 1HG PRO 10 -7.668 -5.948 -0.001
53 HG3 PRO 10 2HG PRO 10 -8.996 -7.123 0.053
54 HD2 PRO 10 1HD PRO 10 -8.493 -5.592 -2.123
55 HD3 PRO 10 2HD PRO 10 -10.132 -6.107 -1.677
56 H TYR 11 H TYR 11 -7.698 -3.041 -1.073
57 HA TYR 11 HA TYR 11 -6.387 -1.592 1.132
58 HB2 TYR 11 1HB TYR 11 -5.085 -2.648 -1.383
59 HB3 TYR 11 2HB TYR 11 -4.275 -1.937 0.008
60 HD1 TYR 11 HD1 TYR 11 -5.972 -4.917 -1.288
61 HD2 TYR 11 HD2 TYR 11 -3.956 -3.209 2.047
62 HE1 TYR 11 HE1 TYR 11 -5.749 -7.152 -0.286
63 HE2 TYR 11 HE2 TYR 11 -3.726 -5.439 3.058
64 HH TYR 11 HH TYR 11 -5.411 -7.907 2.468
65 H GLU 12 H GLU 12 -5.874 0.525 0.882
66 HA GLU 12 HA GLU 12 -6.220 1.770 -1.742
67 HB2 GLU 12 1HB GLU 12 -7.865 2.284 0.682
68 HB3 GLU 12 2HB GLU 12 -7.395 3.676 -0.284
69 HG2 GLU 12 1HG GLU 12 -9.369 3.169 -1.281
70 HG3 GLU 12 2HG GLU 12 -8.286 2.180 -2.258
71 H CYS 13 H CYS 13 -4.981 3.590 -2.078
72 HA CYS 13 HA CYS 13 -2.746 3.924 -0.289
73 HB2 CYS 13 1HB CYS 13 -2.332 3.950 -2.676
74 HB3 CYS 13 2HB CYS 13 -3.464 5.282 -2.894
75 H THR 14 H THR 14 -2.881 5.167 1.450
76 HA THR 14 HA THR 14 -4.889 7.129 1.841
77 HB THR 14 HB THR 14 -3.488 7.775 3.856
78 HG1 THR 14 HG1 THR 14 -1.978 5.470 3.144
79 HG21 THR 14 3HG2 THR 14 -4.734 6.261 4.914
80 HG22 THR 14 1HG2 THR 14 -3.708 4.953 4.329
81 HG23 THR 14 2HG2 THR 14 -5.075 5.502 3.359
82 H ASP 15 H ASP 15 -1.751 7.216 0.423
83 HA ASP 15 HA ASP 15 -1.100 9.924 0.817
84 HB2 ASP 15 1HB ASP 15 0.270 7.897 -0.198
85 HB3 ASP 15 2HB ASP 15 -0.329 8.549 -1.720
86 H CYS 16 H CYS 16 -2.607 8.330 -1.995
87 HA CYS 16 HA CYS 16 -3.670 10.959 -2.795
88 HB2 CYS 16 1HB CYS 16 -3.750 10.108 -5.084
89 HB3 CYS 16 2HB CYS 16 -2.119 9.971 -4.435
90 H GLY 17 H GLY 17 -4.420 7.502 -2.558
91 HA2 GLY 17 1HA GLY 17 -6.637 7.071 -1.475
92 HA3 GLY 17 2HA GLY 17 -7.286 8.220 -2.635
93 H LYS 18 H LYS 18 -4.808 6.236 -3.862
94 HA LYS 18 HA LYS 18 -6.497 5.055 -5.795
95 HB2 LYS 18 1HB LYS 18 -3.891 5.496 -5.758
96 HB3 LYS 18 2HB LYS 18 -3.843 3.854 -5.132
97 HG2 LYS 18 1HG LYS 18 -4.582 2.933 -7.095
98 HG3 LYS 18 2HG LYS 18 -5.415 4.405 -7.598
99 HD2 LYS 18 1HD LYS 18 -2.440 4.420 -7.346
100 HD3 LYS 18 2HD LYS 18 -3.184 3.674 -8.762
101 HE2 LYS 18 1HE LYS 18 -4.503 5.853 -8.989
102 HE3 LYS 18 2HE LYS 18 -3.350 6.528 -7.838
103 HZ1 LYS 18 3HZ LYS 18 -2.616 6.993 -10.053
104 HZ2 LYS 18 1HZ LYS 18 -2.725 5.364 -10.496
105 HZ3 LYS 18 2HZ LYS 18 -1.560 5.859 -9.374
106 H ALA 19 H ALA 19 -6.216 2.530 -6.142
107 HA ALA 19 HA ALA 19 -6.700 1.141 -3.599
108 HB1 ALA 19 3HB ALA 19 -8.566 -0.109 -4.766
109 HB2 ALA 19 1HB ALA 19 -8.897 1.571 -4.345
110 HB3 ALA 19 2HB ALA 19 -8.499 1.141 -6.009
111 H PHE 20 H PHE 20 -6.447 -1.178 -3.716
112 HA PHE 20 HA PHE 20 -5.286 -2.336 -6.090
113 HB2 PHE 20 1HB PHE 20 -3.612 -2.107 -3.580
114 HB3 PHE 20 2HB PHE 20 -3.158 -2.951 -5.057
115 HD1 PHE 20 HD1 PHE 20 -3.643 0.321 -3.490
116 HD2 PHE 20 HD2 PHE 20 -2.425 -1.749 -7.003
117 HE1 PHE 20 HE1 PHE 20 -2.641 2.394 -4.359
118 HE2 PHE 20 HE2 PHE 20 -1.421 0.320 -7.878
119 HZ PHE 20 HZ PHE 20 -1.527 2.395 -6.556
120 H GLY 21 H GLY 21 -6.241 -4.251 -6.218
121 HA2 GLY 21 1HA GLY 21 -7.660 -5.506 -4.181
122 HA3 GLY 21 2HA GLY 21 -7.086 -6.304 -5.638
123 H LEU 22 H LEU 22 -4.267 -5.498 -4.772
124 HA LEU 22 HA LEU 22 -3.906 -7.725 -2.882
125 HB2 LEU 22 1HB LEU 22 -2.358 -6.753 -5.217
126 HB3 LEU 22 2HB LEU 22 -1.446 -7.411 -3.860
127 HG LEU 22 HG LEU 22 -3.422 -8.815 -5.638
128 HD11 LEU 22 1HD1 LEU 22 -1.312 -10.428 -5.468
129 HD12 LEU 22 2HD1 LEU 22 -0.503 -8.893 -5.152
130 HD13 LEU 22 3HD1 LEU 22 -1.414 -9.119 -6.645
131 HD21 LEU 22 3HD2 LEU 22 -4.123 -9.857 -3.767
132 HD22 LEU 22 1HD2 LEU 22 -2.704 -9.374 -2.837
133 HD23 LEU 22 2HD2 LEU 22 -2.609 -10.747 -3.940
134 H LYS 23 H LYS 23 -1.951 -7.526 -1.468
135 HA LYS 23 HA LYS 23 -1.967 -4.900 -0.219
136 HB2 LYS 23 1HB LYS 23 -2.239 -6.788 1.254
137 HB3 LYS 23 2HB LYS 23 -0.784 -7.549 0.625
138 HG2 LYS 23 1HG LYS 23 0.022 -6.682 2.570
139 HG3 LYS 23 2HG LYS 23 0.349 -5.335 1.477
140 HD2 LYS 23 1HD LYS 23 -2.013 -4.521 2.185
141 HD3 LYS 23 2HD LYS 23 -1.792 -5.616 3.552
142 HE2 LYS 23 1HE LYS 23 0.369 -3.677 2.866
143 HE3 LYS 23 2HE LYS 23 -1.065 -3.102 3.716
144 HZ1 LYS 23 3HZ LYS 23 -0.519 -5.183 5.209
145 HZ2 LYS 23 1HZ LYS 23 0.220 -3.685 5.475
146 HZ3 LYS 23 2HZ LYS 23 1.048 -4.899 4.638
147 H SER 24 H SER 24 0.145 -6.939 -2.085
148 HA SER 24 HA SER 24 2.523 -5.416 -1.499
149 HB2 SER 24 1HB SER 24 2.830 -7.745 -1.990
150 HB3 SER 24 2HB SER 24 1.935 -7.603 -3.503
151 HG SER 24 HG SER 24 3.776 -7.168 -4.391
152 H GLN 25 H GLN 25 0.040 -5.467 -3.951
153 HA GLN 25 HA GLN 25 1.364 -3.971 -5.933
154 HB2 GLN 25 1HB GLN 25 -1.512 -4.506 -5.286
155 HB3 GLN 25 2HB GLN 25 -1.102 -3.327 -6.524
156 HG2 GLN 25 1HG GLN 25 0.406 -5.308 -7.405
157 HG3 GLN 25 2HG GLN 25 -0.776 -6.274 -6.523
158 HE21 GLN 25 1HE2 GLN 25 -2.831 -6.463 -7.296
159 HE22 GLN 25 2HE2 GLN 25 -3.333 -5.849 -8.831
160 H LEU 26 H LEU 26 -0.308 -3.048 -3.012
161 HA LEU 26 HA LEU 26 -0.443 -0.255 -3.683
162 HB2 LEU 26 1HB LEU 26 -2.127 -0.982 -2.232
163 HB3 LEU 26 2HB LEU 26 -0.989 -1.858 -1.210
164 HG LEU 26 HG LEU 26 -0.094 0.335 -0.438
165 HD11 LEU 26 1HD1 LEU 26 -0.770 1.683 -2.356
166 HD12 LEU 26 2HD1 LEU 26 -1.409 2.345 -0.852
167 HD13 LEU 26 3HD1 LEU 26 -2.466 1.440 -1.936
168 HD21 LEU 26 3HD2 LEU 26 -3.014 -0.267 -0.008
169 HD22 LEU 26 1HD2 LEU 26 -2.096 0.896 0.949
170 HD23 LEU 26 2HD2 LEU 26 -1.647 -0.809 0.966
171 H ILE 27 H ILE 27 1.474 -2.202 -1.401
172 HA ILE 27 HA ILE 27 3.040 -0.249 -0.280
173 HB ILE 27 HB ILE 27 3.965 -3.003 -1.105
174 HG12 ILE 27 1HG1 ILE 27 2.972 -2.149 1.609
175 HG13 ILE 27 2HG1 ILE 27 1.883 -2.779 0.378
176 HG21 ILE 27 1HG2 ILE 27 5.092 -1.714 1.285
177 HG22 ILE 27 2HG2 ILE 27 5.874 -2.692 0.044
178 HG23 ILE 27 3HG2 ILE 27 5.551 -0.985 -0.254
179 HD11 ILE 27 3HD1 ILE 27 4.309 -4.300 1.254
180 HD12 ILE 27 1HD1 ILE 27 2.778 -4.402 2.123
181 HD13 ILE 27 2HD1 ILE 27 2.867 -4.893 0.431
182 H ILE 28 H ILE 28 3.636 -1.975 -3.328
183 HA ILE 28 HA ILE 28 6.066 -0.684 -3.944
184 HB ILE 28 HB ILE 28 4.051 -1.925 -5.822
185 HG12 ILE 28 1HG1 ILE 28 6.617 -3.134 -4.798
186 HG13 ILE 28 2HG1 ILE 28 5.078 -3.365 -3.976
187 HG21 ILE 28 1HG2 ILE 28 5.825 -2.032 -7.445
188 HG22 ILE 28 2HG2 ILE 28 5.627 -0.362 -6.917
189 HG23 ILE 28 3HG2 ILE 28 6.966 -1.328 -6.299
190 HD11 ILE 28 3HD1 ILE 28 6.152 -4.785 -6.182
191 HD12 ILE 28 1HD1 ILE 28 4.639 -5.059 -5.318
192 HD13 ILE 28 2HD1 ILE 28 4.679 -3.969 -6.704
193 H HIS 29 H HIS 29 2.727 0.210 -4.416
194 HA HIS 29 HA HIS 29 3.227 2.291 -6.308
195 HB2 HIS 29 1HB HIS 29 1.033 1.479 -6.363
196 HB3 HIS 29 2HB HIS 29 0.877 1.506 -4.609
197 HD1 HIS 29 HD1 HIS 29 0.842 3.806 -7.594
198 HD2 HIS 29 HD2 HIS 29 -0.106 3.854 -3.549
199 HE1 HIS 29 HE1 HIS 29 -0.370 5.977 -7.213
200 H GLN 30 H GLN 30 2.582 2.245 -2.811
201 HA GLN 30 HA GLN 30 2.576 4.939 -2.277
202 HB2 GLN 30 1HB GLN 30 3.680 2.656 -0.642
203 HB3 GLN 30 2HB GLN 30 3.534 4.295 -0.023
204 HG2 GLN 30 1HG GLN 30 1.049 4.053 -0.770
205 HG3 GLN 30 2HG GLN 30 1.402 2.327 -0.698
206 HE21 GLN 30 1HE2 GLN 30 -0.392 2.676 0.953
207 HE22 GLN 30 2HE2 GLN 30 0.118 2.948 2.581
208 H ARG 31 H ARG 31 5.197 3.008 -3.351
209 HA ARG 31 HA ARG 31 7.371 4.474 -2.335
210 HB2 ARG 31 1HB ARG 31 7.192 2.927 -4.927
211 HB3 ARG 31 2HB ARG 31 8.676 3.427 -4.128
212 HG2 ARG 31 1HG ARG 31 7.931 2.048 -2.150
213 HG3 ARG 31 2HG ARG 31 6.671 1.396 -3.199
214 HD2 ARG 31 1HD ARG 31 8.389 -0.159 -3.393
215 HD3 ARG 31 2HD ARG 31 8.598 0.859 -4.818
216 HE ARG 31 HE ARG 31 10.153 1.817 -2.648
217 HH11 ARG 31 1HH1 ARG 31 10.032 -0.682 -5.068
218 HH12 ARG 31 2HH1 ARG 31 11.750 -0.900 -5.117
219 HH21 ARG 31 1HH2 ARG 31 12.417 1.540 -2.703
220 HH22 ARG 31 2HH2 ARG 31 13.105 0.364 -3.770
221 H THR 32 H THR 32 5.716 4.687 -5.481
222 HA THR 32 HA THR 32 7.161 6.678 -6.681
223 HB THR 32 HB THR 32 5.191 5.454 -7.670
224 HG1 THR 32 HG1 THR 32 5.037 8.278 -7.989
225 HG21 THR 32 3HG2 THR 32 3.052 5.894 -7.091
226 HG22 THR 32 1HG2 THR 32 3.364 7.611 -6.841
227 HG23 THR 32 2HG2 THR 32 3.779 6.447 -5.582
228 H HIS 33 H HIS 33 4.838 6.978 -4.080
229 HA HIS 33 HA HIS 33 4.641 9.831 -4.213
230 HB2 HIS 33 1HB HIS 33 3.849 7.800 -2.129
231 HB3 HIS 33 2HB HIS 33 3.627 9.531 -1.889
232 HD1 HIS 33 HD1 HIS 33 2.250 10.642 -4.106
233 HD2 HIS 33 HD2 HIS 33 1.619 6.658 -3.114
234 HE1 HIS 33 HE1 HIS 33 0.052 10.027 -5.160
235 H THR 34 H THR 34 6.321 7.571 -2.038
236 HA THR 34 HA THR 34 7.604 9.583 -0.513
237 HB THR 34 HB THR 34 9.055 7.777 0.326
238 HG1 THR 34 HG1 THR 34 7.905 6.405 -1.856
239 HG21 THR 34 3HG2 THR 34 7.336 6.443 1.365
240 HG22 THR 34 1HG2 THR 34 6.183 6.871 0.102
241 HG23 THR 34 2HG2 THR 34 6.758 8.103 1.226
242 H GLY 35 H GLY 35 8.671 11.057 -1.798
243 HA2 GLY 35 1HA GLY 35 10.664 11.859 -2.689
244 HA3 GLY 35 2HA GLY 35 11.260 10.208 -2.771
245 H GLU 36 H GLU 36 10.150 12.820 -4.546
246 HA GLU 36 HA GLU 36 10.338 11.339 -7.005
247 HB2 GLU 36 1HB GLU 36 8.145 11.724 -7.840
248 HB3 GLU 36 2HB GLU 36 7.957 11.000 -6.249
249 HG2 GLU 36 1HG GLU 36 7.923 13.969 -6.558
250 HG3 GLU 36 2HG GLU 36 6.486 13.018 -6.929
251 H SER 37 H SER 37 10.043 12.809 -8.919
252 HA SER 37 HA SER 37 11.219 15.412 -8.276
253 HB2 SER 37 1HB SER 37 11.884 15.477 -10.645
254 HB3 SER 37 2HB SER 37 12.444 13.996 -9.868
255 HG SER 37 HG SER 37 10.200 13.265 -10.759
256 H GLY 38 H GLY 38 10.478 17.340 -9.309
257 HA2 GLY 38 1HA GLY 38 8.683 18.116 -10.968
258 HA3 GLY 38 2HA GLY 38 7.594 17.237 -9.904
259 HA PRO 39 HA PRO 39 8.654 21.703 -8.431
260 HB2 PRO 39 1HB PRO 39 6.784 23.163 -9.751
261 HB3 PRO 39 2HB PRO 39 8.415 22.899 -10.379
262 HG2 PRO 39 1HG PRO 39 5.865 21.497 -11.081
263 HG3 PRO 39 2HG PRO 39 7.159 22.068 -12.150
264 HD2 PRO 39 1HD PRO 39 6.924 19.476 -11.405
265 HD3 PRO 39 2HD PRO 39 8.495 20.240 -11.718
266 H SER 40 H SER 40 6.061 19.562 -8.669
267 HA SER 40 HA SER 40 4.059 20.992 -7.263
268 HB2 SER 40 1HB SER 40 4.528 18.137 -7.991
269 HB3 SER 40 2HB SER 40 3.350 18.483 -6.726
270 HG SER 40 HG SER 40 3.040 18.680 -9.353
271 H SER 41 H SER 41 5.188 21.960 -5.514
272 HA SER 41 HA SER 41 5.742 20.091 -3.304
273 HB2 SER 41 1HB SER 41 7.755 21.334 -4.344
274 HB3 SER 41 2HB SER 41 7.098 22.768 -3.557
275 HG SER 41 HG SER 41 7.071 21.138 -1.647
276 H GLY 42 H GLY 42 5.173 20.778 -1.203
277 HA2 GLY 42 1HA GLY 42 3.863 23.301 -0.776
278 HA3 GLY 42 2HA GLY 42 2.735 21.956 -0.856
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -10.219 -8.567 -19.367
2 HA2 GLY 1 1HA GLY 1 -10.222 -10.828 -18.075
3 HA3 GLY 1 2HA GLY 1 -10.955 -9.836 -16.823
4 H SER 2 H SER 2 -13.071 -10.120 -16.726
5 HA SER 2 HA SER 2 -14.532 -10.680 -19.219
6 HB2 SER 2 1HB SER 2 -14.629 -12.432 -17.441
7 HB3 SER 2 2HB SER 2 -15.409 -11.259 -16.380
8 HG SER 2 HG SER 2 -17.002 -12.456 -17.378
9 H SER 3 H SER 3 -14.935 -9.018 -16.092
10 HA SER 3 HA SER 3 -16.140 -6.750 -17.431
11 HB2 SER 3 1HB SER 3 -18.016 -8.395 -16.985
12 HB3 SER 3 2HB SER 3 -17.714 -8.152 -15.265
13 HG SER 3 HG SER 3 -18.196 -5.987 -17.015
14 H GLY 4 H GLY 4 -16.776 -5.044 -15.730
15 HA2 GLY 4 1HA GLY 4 -14.492 -4.754 -13.962
16 HA3 GLY 4 2HA GLY 4 -15.707 -3.532 -14.311
17 H SER 5 H SER 5 -15.211 -3.411 -11.845
18 HA SER 5 HA SER 5 -15.819 -3.818 -9.673
19 HB2 SER 5 1HB SER 5 -18.368 -3.851 -11.257
20 HB3 SER 5 2HB SER 5 -18.412 -4.130 -9.517
21 HG SER 5 HG SER 5 -18.584 -1.976 -9.687
22 H SER 6 H SER 6 -14.725 -6.101 -10.815
23 HA SER 6 HA SER 6 -16.459 -8.322 -10.052
24 HB2 SER 6 1HB SER 6 -13.783 -8.184 -11.444
25 HB3 SER 6 2HB SER 6 -14.504 -9.707 -10.924
26 HG SER 6 HG SER 6 -14.988 -9.121 -13.123
27 H GLY 7 H GLY 7 -13.100 -7.297 -9.394
28 HA2 GLY 7 1HA GLY 7 -13.269 -8.734 -6.826
29 HA3 GLY 7 2HA GLY 7 -11.777 -8.354 -7.673
30 H GLU 8 H GLU 8 -13.562 -7.566 -5.058
31 HA GLU 8 HA GLU 8 -13.323 -4.716 -5.073
32 HB2 GLU 8 1HB GLU 8 -13.842 -6.667 -2.824
33 HB3 GLU 8 2HB GLU 8 -13.904 -4.918 -2.651
34 HG2 GLU 8 1HG GLU 8 -15.643 -6.541 -4.495
35 HG3 GLU 8 2HG GLU 8 -16.124 -5.928 -2.914
36 H LYS 9 H LYS 9 -11.759 -3.430 -4.239
37 HA LYS 9 HA LYS 9 -9.279 -4.762 -3.407
38 HB2 LYS 9 1HB LYS 9 -9.612 -1.871 -4.206
39 HB3 LYS 9 2HB LYS 9 -8.115 -2.785 -4.081
40 HG2 LYS 9 1HG LYS 9 -8.718 -4.123 -5.991
41 HG3 LYS 9 2HG LYS 9 -10.299 -3.343 -6.078
42 HD2 LYS 9 1HD LYS 9 -9.384 -1.309 -6.785
43 HD3 LYS 9 2HD LYS 9 -7.761 -1.750 -6.249
44 HE2 LYS 9 1HE LYS 9 -7.504 -3.297 -8.034
45 HE3 LYS 9 2HE LYS 9 -9.211 -3.187 -8.461
46 HZ1 LYS 9 3HZ LYS 9 -8.148 -1.865 -10.025
47 HZ2 LYS 9 1HZ LYS 9 -7.072 -1.201 -8.900
48 HZ3 LYS 9 2HZ LYS 9 -8.699 -0.737 -8.891
49 HA PRO 10 HA PRO 10 -10.639 -3.273 0.661
50 HB2 PRO 10 1HB PRO 10 -9.058 -4.992 2.046
51 HB3 PRO 10 2HB PRO 10 -10.628 -5.456 1.379
52 HG2 PRO 10 1HG PRO 10 -7.886 -5.941 0.281
53 HG3 PRO 10 2HG PRO 10 -9.271 -7.046 0.362
54 HD2 PRO 10 1HD PRO 10 -8.590 -5.728 -1.903
55 HD3 PRO 10 2HD PRO 10 -10.272 -6.130 -1.501
56 H TYR 11 H TYR 11 -7.678 -3.210 -0.993
57 HA TYR 11 HA TYR 11 -6.385 -1.671 1.155
58 HB2 TYR 11 1HB TYR 11 -5.094 -2.858 -1.307
59 HB3 TYR 11 2HB TYR 11 -4.274 -2.134 0.071
60 HD1 TYR 11 HD1 TYR 11 -6.180 -5.063 -1.090
61 HD2 TYR 11 HD2 TYR 11 -3.923 -3.371 2.096
62 HE1 TYR 11 HE1 TYR 11 -6.058 -7.270 -0.012
63 HE2 TYR 11 HE2 TYR 11 -3.794 -5.574 3.182
64 HH TYR 11 HH TYR 11 -5.617 -8.310 2.009
65 H GLU 12 H GLU 12 -6.008 0.444 0.909
66 HA GLU 12 HA GLU 12 -6.153 1.616 -1.776
67 HB2 GLU 12 1HB GLU 12 -7.897 2.222 0.558
68 HB3 GLU 12 2HB GLU 12 -7.373 3.574 -0.436
69 HG2 GLU 12 1HG GLU 12 -9.335 3.031 -1.461
70 HG3 GLU 12 2HG GLU 12 -8.201 2.063 -2.401
71 H CYS 13 H CYS 13 -4.925 3.467 -2.082
72 HA CYS 13 HA CYS 13 -2.745 3.799 -0.221
73 HB2 CYS 13 1HB CYS 13 -2.295 3.789 -2.623
74 HB3 CYS 13 2HB CYS 13 -3.347 5.183 -2.844
75 H THR 14 H THR 14 -2.956 5.051 1.505
76 HA THR 14 HA THR 14 -4.964 7.006 1.832
77 HB THR 14 HB THR 14 -3.648 7.701 3.855
78 HG1 THR 14 HG1 THR 14 -1.870 6.156 4.326
79 HG21 THR 14 3HG2 THR 14 -4.879 6.119 4.823
80 HG22 THR 14 1HG2 THR 14 -3.627 4.936 4.449
81 HG23 THR 14 2HG2 THR 14 -4.946 5.214 3.311
82 H ASP 15 H ASP 15 -1.765 7.130 0.510
83 HA ASP 15 HA ASP 15 -1.199 9.858 0.821
84 HB2 ASP 15 1HB ASP 15 0.243 7.847 -0.105
85 HB3 ASP 15 2HB ASP 15 -0.352 8.422 -1.660
86 H CYS 16 H CYS 16 -2.522 8.185 -2.041
87 HA CYS 16 HA CYS 16 -3.619 10.763 -2.936
88 HB2 CYS 16 1HB CYS 16 -3.691 9.802 -5.176
89 HB3 CYS 16 2HB CYS 16 -2.069 9.661 -4.507
90 H GLY 17 H GLY 17 -4.418 7.320 -2.594
91 HA2 GLY 17 1HA GLY 17 -6.613 6.893 -1.507
92 HA3 GLY 17 2HA GLY 17 -7.271 8.094 -2.609
93 H LYS 18 H LYS 18 -4.859 5.967 -3.836
94 HA LYS 18 HA LYS 18 -6.636 4.924 -5.803
95 HB2 LYS 18 1HB LYS 18 -3.757 4.603 -5.124
96 HB3 LYS 18 2HB LYS 18 -4.501 3.340 -6.097
97 HG2 LYS 18 1HG LYS 18 -5.087 4.900 -7.804
98 HG3 LYS 18 2HG LYS 18 -4.600 6.265 -6.796
99 HD2 LYS 18 1HD LYS 18 -2.296 5.586 -6.898
100 HD3 LYS 18 2HD LYS 18 -2.728 4.094 -7.736
101 HE2 LYS 18 1HE LYS 18 -2.097 5.358 -9.525
102 HE3 LYS 18 2HE LYS 18 -3.802 5.799 -9.450
103 HZ1 LYS 18 3HZ LYS 18 -3.012 7.702 -7.978
104 HZ2 LYS 18 1HZ LYS 18 -2.685 7.814 -9.635
105 HZ3 LYS 18 2HZ LYS 18 -1.460 7.362 -8.560
106 H ALA 19 H ALA 19 -6.435 2.407 -6.220
107 HA ALA 19 HA ALA 19 -6.917 0.986 -3.690
108 HB1 ALA 19 3HB ALA 19 -8.592 0.395 -6.096
109 HB2 ALA 19 1HB ALA 19 -8.922 0.070 -4.394
110 HB3 ALA 19 2HB ALA 19 -9.022 1.719 -5.013
111 H PHE 20 H PHE 20 -6.421 -1.220 -3.684
112 HA PHE 20 HA PHE 20 -5.315 -2.419 -6.090
113 HB2 PHE 20 1HB PHE 20 -3.657 -2.162 -3.573
114 HB3 PHE 20 2HB PHE 20 -3.180 -2.979 -5.057
115 HD1 PHE 20 HD1 PHE 20 -3.989 0.319 -3.599
116 HD2 PHE 20 HD2 PHE 20 -2.218 -1.793 -6.843
117 HE1 PHE 20 HE1 PHE 20 -3.030 2.423 -4.441
118 HE2 PHE 20 HE2 PHE 20 -1.257 0.307 -7.690
119 HZ PHE 20 HZ PHE 20 -1.661 2.418 -6.489
120 H GLY 21 H GLY 21 -6.217 -4.359 -6.210
121 HA2 GLY 21 1HA GLY 21 -7.639 -5.621 -4.179
122 HA3 GLY 21 2HA GLY 21 -7.026 -6.424 -5.618
123 H LEU 22 H LEU 22 -4.238 -5.557 -4.730
124 HA LEU 22 HA LEU 22 -3.867 -7.719 -2.765
125 HB2 LEU 22 1HB LEU 22 -2.339 -6.870 -5.158
126 HB3 LEU 22 2HB LEU 22 -1.414 -7.459 -3.779
127 HG LEU 22 HG LEU 22 -3.406 -8.948 -5.466
128 HD11 LEU 22 1HD1 LEU 22 -1.318 -10.562 -5.255
129 HD12 LEU 22 2HD1 LEU 22 -0.483 -9.035 -4.969
130 HD13 LEU 22 3HD1 LEU 22 -1.388 -9.278 -6.463
131 HD21 LEU 22 3HD2 LEU 22 -2.564 -10.781 -3.658
132 HD22 LEU 22 1HD2 LEU 22 -4.097 -9.915 -3.558
133 HD23 LEU 22 2HD2 LEU 22 -2.702 -9.346 -2.641
134 H LYS 23 H LYS 23 -2.016 -7.467 -1.294
135 HA LYS 23 HA LYS 23 -1.983 -4.793 -0.189
136 HB2 LYS 23 1HB LYS 23 -2.216 -6.567 1.391
137 HB3 LYS 23 2HB LYS 23 -0.828 -7.423 0.732
138 HG2 LYS 23 1HG LYS 23 0.084 -6.511 2.617
139 HG3 LYS 23 2HG LYS 23 0.460 -5.255 1.434
140 HD2 LYS 23 1HD LYS 23 -1.607 -4.061 2.136
141 HD3 LYS 23 2HD LYS 23 -1.831 -5.273 3.399
142 HE2 LYS 23 1HE LYS 23 0.508 -4.654 4.186
143 HE3 LYS 23 2HE LYS 23 0.386 -3.261 3.112
144 HZ1 LYS 23 3HZ LYS 23 -1.228 -3.876 5.510
145 HZ2 LYS 23 1HZ LYS 23 -1.767 -2.774 4.345
146 HZ3 LYS 23 2HZ LYS 23 -0.322 -2.487 5.176
147 H SER 24 H SER 24 0.131 -6.886 -1.993
148 HA SER 24 HA SER 24 2.500 -5.323 -1.494
149 HB2 SER 24 1HB SER 24 2.697 -7.723 -1.925
150 HB3 SER 24 2HB SER 24 1.966 -7.513 -3.516
151 HG SER 24 HG SER 24 4.295 -6.101 -2.785
152 H GLN 25 H GLN 25 -0.027 -5.449 -3.887
153 HA GLN 25 HA GLN 25 1.294 -3.980 -5.918
154 HB2 GLN 25 1HB GLN 25 -1.574 -4.620 -5.316
155 HB3 GLN 25 2HB GLN 25 -1.174 -3.480 -6.594
156 HG2 GLN 25 1HG GLN 25 0.437 -5.448 -7.332
157 HG3 GLN 25 2HG GLN 25 -0.757 -6.409 -6.460
158 HE21 GLN 25 1HE2 GLN 25 -2.407 -7.102 -7.605
159 HE22 GLN 25 2HE2 GLN 25 -3.001 -6.402 -9.068
160 H LEU 26 H LEU 26 -0.354 -3.075 -3.003
161 HA LEU 26 HA LEU 26 -0.663 -0.306 -3.760
162 HB2 LEU 26 1HB LEU 26 -2.324 -1.092 -2.309
163 HB3 LEU 26 2HB LEU 26 -1.151 -1.869 -1.249
164 HG LEU 26 HG LEU 26 -0.396 0.374 -0.513
165 HD11 LEU 26 1HD1 LEU 26 -1.670 1.281 -2.763
166 HD12 LEU 26 2HD1 LEU 26 -1.107 2.282 -1.425
167 HD13 LEU 26 3HD1 LEU 26 -2.785 1.739 -1.475
168 HD21 LEU 26 3HD2 LEU 26 -3.340 -0.187 -0.169
169 HD22 LEU 26 1HD2 LEU 26 -2.364 0.860 0.861
170 HD23 LEU 26 2HD2 LEU 26 -2.030 -0.871 0.795
171 H ILE 27 H ILE 27 1.331 -2.115 -1.433
172 HA ILE 27 HA ILE 27 2.790 -0.050 -0.349
173 HB ILE 27 HB ILE 27 3.813 -2.803 -1.054
174 HG12 ILE 27 1HG1 ILE 27 2.775 -1.820 1.604
175 HG13 ILE 27 2HG1 ILE 27 1.746 -2.617 0.420
176 HG21 ILE 27 1HG2 ILE 27 5.473 -0.894 -0.483
177 HG22 ILE 27 2HG2 ILE 27 4.876 -1.103 1.163
178 HG23 ILE 27 3HG2 ILE 27 5.639 -2.453 0.323
179 HD11 ILE 27 3HD1 ILE 27 3.614 -3.746 2.310
180 HD12 ILE 27 1HD1 ILE 27 2.319 -4.520 1.399
181 HD13 ILE 27 2HD1 ILE 27 3.911 -4.314 0.667
182 H ILE 28 H ILE 28 3.521 -1.877 -3.311
183 HA ILE 28 HA ILE 28 5.914 -0.611 -3.972
184 HB ILE 28 HB ILE 28 3.822 -1.722 -5.847
185 HG12 ILE 28 1HG1 ILE 28 6.357 -3.054 -4.897
186 HG13 ILE 28 2HG1 ILE 28 4.821 -3.250 -4.059
187 HG21 ILE 28 1HG2 ILE 28 6.705 -0.977 -6.294
188 HG22 ILE 28 2HG2 ILE 28 5.768 -1.980 -7.400
189 HG23 ILE 28 3HG2 ILE 28 5.283 -0.312 -7.097
190 HD11 ILE 28 3HD1 ILE 28 5.587 -4.998 -5.815
191 HD12 ILE 28 1HD1 ILE 28 3.900 -4.485 -5.760
192 HD13 ILE 28 2HD1 ILE 28 4.987 -3.817 -6.979
193 H HIS 29 H HIS 29 2.583 0.355 -4.541
194 HA HIS 29 HA HIS 29 3.155 2.485 -6.325
195 HB2 HIS 29 1HB HIS 29 0.933 1.734 -6.372
196 HB3 HIS 29 2HB HIS 29 0.787 1.768 -4.617
197 HD1 HIS 29 HD1 HIS 29 1.105 4.199 -7.516
198 HD2 HIS 29 HD2 HIS 29 -0.386 4.016 -3.643
199 HE1 HIS 29 HE1 HIS 29 -0.094 6.380 -7.154
200 H GLN 30 H GLN 30 2.404 2.448 -2.842
201 HA GLN 30 HA GLN 30 2.540 5.109 -2.256
202 HB2 GLN 30 1HB GLN 30 3.449 2.707 -0.692
203 HB3 GLN 30 2HB GLN 30 3.574 4.329 -0.024
204 HG2 GLN 30 1HG GLN 30 1.138 4.608 -0.373
205 HG3 GLN 30 2HG GLN 30 1.060 2.928 -0.900
206 HE21 GLN 30 1HE2 GLN 30 -0.528 3.423 1.080
207 HE22 GLN 30 2HE2 GLN 30 0.092 2.875 2.597
208 H ARG 31 H ARG 31 5.099 3.094 -3.338
209 HA ARG 31 HA ARG 31 7.316 4.476 -2.298
210 HB2 ARG 31 1HB ARG 31 7.084 2.942 -4.893
211 HB3 ARG 31 2HB ARG 31 8.590 3.409 -4.114
212 HG2 ARG 31 1HG ARG 31 7.635 2.077 -2.091
213 HG3 ARG 31 2HG ARG 31 6.612 1.326 -3.318
214 HD2 ARG 31 1HD ARG 31 8.389 -0.101 -3.388
215 HD3 ARG 31 2HD ARG 31 8.923 1.085 -4.579
216 HE ARG 31 HE ARG 31 10.597 1.729 -3.147
217 HH11 ARG 31 1HH1 ARG 31 8.301 -0.251 -1.436
218 HH12 ARG 31 2HH1 ARG 31 9.286 -0.396 -0.018
219 HH21 ARG 31 1HH2 ARG 31 11.903 1.545 -1.285
220 HH22 ARG 31 2HH2 ARG 31 11.334 0.626 0.067
221 H THR 32 H THR 32 5.453 4.913 -5.273
222 HA THR 32 HA THR 32 7.077 6.883 -6.445
223 HB THR 32 HB THR 32 5.294 5.673 -7.666
224 HG1 THR 32 HG1 THR 32 4.698 8.435 -7.793
225 HG21 THR 32 3HG2 THR 32 3.104 7.407 -6.994
226 HG22 THR 32 1HG2 THR 32 3.676 6.573 -5.550
227 HG23 THR 32 2HG2 THR 32 3.178 5.646 -6.966
228 H HIS 33 H HIS 33 5.041 7.015 -3.722
229 HA HIS 33 HA HIS 33 4.581 9.880 -3.897
230 HB2 HIS 33 1HB HIS 33 3.783 7.765 -1.904
231 HB3 HIS 33 2HB HIS 33 3.528 9.480 -1.595
232 HD1 HIS 33 HD1 HIS 33 2.320 10.583 -4.017
233 HD2 HIS 33 HD2 HIS 33 1.459 6.716 -2.764
234 HE1 HIS 33 HE1 HIS 33 0.122 10.002 -5.091
235 H THR 34 H THR 34 7.120 7.983 -3.039
236 HA THR 34 HA THR 34 8.100 9.964 -1.088
237 HB THR 34 HB THR 34 9.507 8.194 -0.104
238 HG1 THR 34 HG1 THR 34 9.500 6.844 -2.035
239 HG21 THR 34 3HG2 THR 34 6.671 8.430 0.096
240 HG22 THR 34 1HG2 THR 34 7.828 7.959 1.341
241 HG23 THR 34 2HG2 THR 34 7.112 6.734 0.294
242 H GLY 35 H GLY 35 10.131 10.790 -1.378
243 HA2 GLY 35 1HA GLY 35 12.254 11.018 -2.320
244 HA3 GLY 35 2HA GLY 35 11.914 9.644 -3.361
245 H GLU 36 H GLU 36 12.303 12.955 -3.251
246 HA GLU 36 HA GLU 36 10.548 13.601 -5.455
247 HB2 GLU 36 1HB GLU 36 10.898 15.308 -3.799
248 HB3 GLU 36 2HB GLU 36 12.643 15.196 -3.978
249 HG2 GLU 36 1HG GLU 36 11.821 17.178 -5.071
250 HG3 GLU 36 2HG GLU 36 12.456 16.049 -6.267
251 H SER 37 H SER 37 11.149 12.554 -7.286
252 HA SER 37 HA SER 37 13.821 13.192 -8.340
253 HB2 SER 37 1HB SER 37 12.424 10.530 -8.266
254 HB3 SER 37 2HB SER 37 13.621 10.884 -9.511
255 HG SER 37 HG SER 37 14.578 9.898 -7.694
256 H GLY 38 H GLY 38 13.552 14.482 -10.035
257 HA2 GLY 38 1HA GLY 38 12.757 15.341 -12.008
258 HA3 GLY 38 2HA GLY 38 12.161 13.723 -12.349
259 HA PRO 39 HA PRO 39 8.644 16.806 -11.635
260 HB2 PRO 39 1HB PRO 39 7.681 16.817 -14.173
261 HB3 PRO 39 2HB PRO 39 8.913 17.951 -13.608
262 HG2 PRO 39 1HG PRO 39 9.242 15.425 -15.182
263 HG3 PRO 39 2HG PRO 39 10.035 16.995 -15.407
264 HD2 PRO 39 1HD PRO 39 11.248 14.913 -14.171
265 HD3 PRO 39 2HD PRO 39 11.567 16.603 -13.729
266 H SER 40 H SER 40 7.132 15.645 -10.620
267 HA SER 40 HA SER 40 5.781 13.506 -12.113
268 HB2 SER 40 1HB SER 40 5.630 12.194 -9.984
269 HB3 SER 40 2HB SER 40 7.274 12.357 -10.600
270 HG SER 40 HG SER 40 7.109 14.371 -9.085
271 H SER 41 H SER 41 3.647 13.745 -12.153
272 HA SER 41 HA SER 41 2.400 15.894 -10.729
273 HB2 SER 41 1HB SER 41 0.359 15.211 -11.902
274 HB3 SER 41 2HB SER 41 1.720 15.280 -13.021
275 HG SER 41 HG SER 41 1.053 13.331 -13.491
276 H GLY 42 H GLY 42 0.293 15.520 -9.548
277 HA2 GLY 42 1HA GLY 42 0.793 13.659 -7.400
278 HA3 GLY 42 2HA GLY 42 -0.535 14.805 -7.503
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -23.290 -3.025 2.316
2 HA2 GLY 1 1HA GLY 1 -21.535 -4.559 0.507
3 HA3 GLY 1 2HA GLY 1 -21.767 -4.908 2.214
4 H SER 2 H SER 2 -22.808 -6.760 2.462
5 HA SER 2 HA SER 2 -24.148 -8.563 2.005
6 HB2 SER 2 1HB SER 2 -26.001 -6.199 1.719
7 HB3 SER 2 2HB SER 2 -26.583 -7.862 1.658
8 HG SER 2 HG SER 2 -26.688 -6.987 3.772
9 H SER 3 H SER 3 -22.586 -7.942 -0.200
10 HA SER 3 HA SER 3 -24.316 -8.893 -2.350
11 HB2 SER 3 1HB SER 3 -22.492 -6.492 -2.625
12 HB3 SER 3 2HB SER 3 -23.320 -7.290 -3.962
13 HG SER 3 HG SER 3 -25.130 -6.360 -3.398
14 H GLY 4 H GLY 4 -22.801 -9.309 -4.376
15 HA2 GLY 4 1HA GLY 4 -20.916 -11.274 -3.519
16 HA3 GLY 4 2HA GLY 4 -21.240 -10.800 -5.180
17 H SER 5 H SER 5 -18.703 -11.321 -3.675
18 HA SER 5 HA SER 5 -17.175 -9.222 -2.986
19 HB2 SER 5 1HB SER 5 -16.325 -11.396 -4.915
20 HB3 SER 5 2HB SER 5 -15.233 -10.370 -3.985
21 HG SER 5 HG SER 5 -15.668 -11.478 -2.225
22 H SER 6 H SER 6 -17.571 -10.233 -6.385
23 HA SER 6 HA SER 6 -17.407 -9.087 -8.343
24 HB2 SER 6 1HB SER 6 -18.205 -6.806 -6.526
25 HB3 SER 6 2HB SER 6 -18.091 -6.661 -8.280
26 HG SER 6 HG SER 6 -20.223 -7.151 -7.550
27 H GLY 7 H GLY 7 -15.000 -9.636 -7.212
28 HA2 GLY 7 1HA GLY 7 -12.814 -8.892 -6.920
29 HA3 GLY 7 2HA GLY 7 -13.130 -8.255 -8.527
30 H GLU 8 H GLU 8 -13.298 -7.477 -5.081
31 HA GLU 8 HA GLU 8 -13.205 -4.621 -5.783
32 HB2 GLU 8 1HB GLU 8 -15.111 -5.295 -4.379
33 HB3 GLU 8 2HB GLU 8 -13.998 -5.927 -3.174
34 HG2 GLU 8 1HG GLU 8 -14.975 -3.667 -2.691
35 HG3 GLU 8 2HG GLU 8 -13.218 -3.776 -2.618
36 H LYS 9 H LYS 9 -11.762 -3.238 -4.654
37 HA LYS 9 HA LYS 9 -9.326 -4.618 -3.777
38 HB2 LYS 9 1HB LYS 9 -9.717 -1.739 -4.616
39 HB3 LYS 9 2HB LYS 9 -8.179 -2.496 -4.222
40 HG2 LYS 9 1HG LYS 9 -8.079 -3.644 -6.190
41 HG3 LYS 9 2HG LYS 9 -9.833 -3.715 -6.366
42 HD2 LYS 9 1HD LYS 9 -8.519 -1.050 -6.490
43 HD3 LYS 9 2HD LYS 9 -8.342 -2.130 -7.875
44 HE2 LYS 9 1HE LYS 9 -10.247 -0.803 -8.315
45 HE3 LYS 9 2HE LYS 9 -10.855 -2.387 -7.834
46 HZ1 LYS 9 3HZ LYS 9 -11.774 -0.138 -6.812
47 HZ2 LYS 9 1HZ LYS 9 -10.512 -0.412 -5.719
48 HZ3 LYS 9 2HZ LYS 9 -11.720 -1.578 -5.926
49 HA PRO 10 HA PRO 10 -10.805 -3.284 0.299
50 HB2 PRO 10 1HB PRO 10 -9.249 -5.039 1.666
51 HB3 PRO 10 2HB PRO 10 -10.794 -5.491 0.936
52 HG2 PRO 10 1HG PRO 10 -8.015 -5.911 -0.097
53 HG3 PRO 10 2HG PRO 10 -9.390 -7.031 -0.098
54 HD2 PRO 10 1HD PRO 10 -8.656 -5.623 -2.291
55 HD3 PRO 10 2HD PRO 10 -10.345 -6.055 -1.955
56 H TYR 11 H TYR 11 -7.801 -3.127 -1.264
57 HA TYR 11 HA TYR 11 -6.553 -1.709 0.986
58 HB2 TYR 11 1HB TYR 11 -5.255 -2.667 -1.571
59 HB3 TYR 11 2HB TYR 11 -4.437 -2.028 -0.150
60 HD1 TYR 11 HD1 TYR 11 -6.392 -4.889 -1.441
61 HD2 TYR 11 HD2 TYR 11 -3.929 -3.423 1.704
62 HE1 TYR 11 HE1 TYR 11 -6.208 -7.167 -0.531
63 HE2 TYR 11 HE2 TYR 11 -3.737 -5.697 2.621
64 HH TYR 11 HH TYR 11 -5.618 -8.359 1.341
65 H GLU 12 H GLU 12 -6.078 0.416 0.880
66 HA GLU 12 HA GLU 12 -6.344 1.806 -1.684
67 HB2 GLU 12 1HB GLU 12 -8.011 2.210 0.745
68 HB3 GLU 12 2HB GLU 12 -7.510 3.646 -0.137
69 HG2 GLU 12 1HG GLU 12 -9.525 3.181 -1.119
70 HG3 GLU 12 2HG GLU 12 -8.407 2.362 -2.209
71 H CYS 13 H CYS 13 -5.024 3.563 -1.932
72 HA CYS 13 HA CYS 13 -2.852 3.802 -0.050
73 HB2 CYS 13 1HB CYS 13 -2.321 3.846 -2.406
74 HB3 CYS 13 2HB CYS 13 -3.423 5.194 -2.672
75 H THR 14 H THR 14 -2.867 5.120 1.634
76 HA THR 14 HA THR 14 -4.885 7.106 1.999
77 HB THR 14 HB THR 14 -3.606 7.680 4.077
78 HG1 THR 14 HG1 THR 14 -1.645 6.920 4.326
79 HG21 THR 14 3HG2 THR 14 -3.968 5.457 5.169
80 HG22 THR 14 1HG2 THR 14 -4.289 4.784 3.571
81 HG23 THR 14 2HG2 THR 14 -5.345 6.034 4.230
82 H ASP 15 H ASP 15 -1.798 7.100 0.544
83 HA ASP 15 HA ASP 15 -1.019 9.776 1.017
84 HB2 ASP 15 1HB ASP 15 0.320 7.755 0.024
85 HB3 ASP 15 2HB ASP 15 -0.306 8.339 -1.515
86 H CYS 16 H CYS 16 -2.577 8.279 -1.820
87 HA CYS 16 HA CYS 16 -3.557 10.956 -2.570
88 HB2 CYS 16 1HB CYS 16 -3.674 10.091 -4.893
89 HB3 CYS 16 2HB CYS 16 -2.037 10.085 -4.247
90 H GLY 17 H GLY 17 -4.373 7.508 -2.452
91 HA2 GLY 17 1HA GLY 17 -6.623 7.103 -1.414
92 HA3 GLY 17 2HA GLY 17 -7.224 8.276 -2.576
93 H LYS 18 H LYS 18 -4.744 6.238 -3.733
94 HA LYS 18 HA LYS 18 -6.385 5.125 -5.745
95 HB2 LYS 18 1HB LYS 18 -3.568 4.781 -4.853
96 HB3 LYS 18 2HB LYS 18 -4.256 3.513 -5.859
97 HG2 LYS 18 1HG LYS 18 -4.874 5.273 -7.518
98 HG3 LYS 18 2HG LYS 18 -3.969 6.429 -6.539
99 HD2 LYS 18 1HD LYS 18 -1.930 5.427 -7.013
100 HD3 LYS 18 2HD LYS 18 -2.676 3.888 -7.451
101 HE2 LYS 18 1HE LYS 18 -3.732 5.203 -9.396
102 HE3 LYS 18 2HE LYS 18 -2.516 6.428 -9.039
103 HZ1 LYS 18 3HZ LYS 18 -1.152 4.042 -9.123
104 HZ2 LYS 18 1HZ LYS 18 -1.140 5.257 -10.300
105 HZ3 LYS 18 2HZ LYS 18 -2.226 3.967 -10.427
106 H ALA 19 H ALA 19 -6.251 2.621 -6.117
107 HA ALA 19 HA ALA 19 -6.793 1.189 -3.613
108 HB1 ALA 19 3HB ALA 19 -8.964 1.863 -4.392
109 HB2 ALA 19 1HB ALA 19 -8.620 1.252 -6.010
110 HB3 ALA 19 2HB ALA 19 -8.779 0.130 -4.658
111 H PHE 20 H PHE 20 -6.405 -1.032 -3.672
112 HA PHE 20 HA PHE 20 -5.437 -2.211 -6.155
113 HB2 PHE 20 1HB PHE 20 -3.750 -2.174 -3.644
114 HB3 PHE 20 2HB PHE 20 -3.341 -2.966 -5.161
115 HD1 PHE 20 HD1 PHE 20 -3.974 0.343 -3.623
116 HD2 PHE 20 HD2 PHE 20 -2.239 -1.804 -6.862
117 HE1 PHE 20 HE1 PHE 20 -2.874 2.404 -4.395
118 HE2 PHE 20 HE2 PHE 20 -1.135 0.253 -7.639
119 HZ PHE 20 HZ PHE 20 -1.451 2.360 -6.404
120 H GLY 21 H GLY 21 -5.895 -4.339 -6.320
121 HA2 GLY 21 1HA GLY 21 -7.625 -5.524 -4.393
122 HA3 GLY 21 2HA GLY 21 -6.974 -6.310 -5.823
123 H LEU 22 H LEU 22 -4.208 -5.507 -4.778
124 HA LEU 22 HA LEU 22 -3.965 -7.740 -2.872
125 HB2 LEU 22 1HB LEU 22 -2.310 -6.836 -5.158
126 HB3 LEU 22 2HB LEU 22 -1.461 -7.482 -3.755
127 HG LEU 22 HG LEU 22 -3.388 -8.889 -5.584
128 HD11 LEU 22 1HD1 LEU 22 -1.339 -9.235 -6.498
129 HD12 LEU 22 2HD1 LEU 22 -1.322 -10.535 -5.307
130 HD13 LEU 22 3HD1 LEU 22 -0.492 -9.017 -4.966
131 HD21 LEU 22 3HD2 LEU 22 -2.876 -10.842 -3.935
132 HD22 LEU 22 1HD2 LEU 22 -4.174 -9.702 -3.576
133 HD23 LEU 22 2HD2 LEU 22 -2.611 -9.540 -2.774
134 H LYS 23 H LYS 23 -1.961 -7.547 -1.456
135 HA LYS 23 HA LYS 23 -2.024 -4.922 -0.195
136 HB2 LYS 23 1HB LYS 23 -2.317 -6.777 1.295
137 HB3 LYS 23 2HB LYS 23 -0.886 -7.583 0.665
138 HG2 LYS 23 1HG LYS 23 -0.022 -6.734 2.583
139 HG3 LYS 23 2HG LYS 23 0.292 -5.372 1.505
140 HD2 LYS 23 1HD LYS 23 -1.934 -4.434 2.253
141 HD3 LYS 23 2HD LYS 23 -1.942 -5.682 3.501
142 HE2 LYS 23 1HE LYS 23 -1.029 -3.840 4.588
143 HE3 LYS 23 2HE LYS 23 0.388 -4.776 4.116
144 HZ1 LYS 23 3HZ LYS 23 0.168 -3.232 1.997
145 HZ2 LYS 23 1HZ LYS 23 1.029 -2.753 3.373
146 HZ3 LYS 23 2HZ LYS 23 -0.549 -2.197 3.127
147 H SER 24 H SER 24 0.144 -6.984 -1.984
148 HA SER 24 HA SER 24 2.493 -5.427 -1.376
149 HB2 SER 24 1HB SER 24 2.765 -7.795 -1.817
150 HB3 SER 24 2HB SER 24 2.005 -7.625 -3.399
151 HG SER 24 HG SER 24 4.538 -7.463 -2.897
152 H GLN 25 H GLN 25 0.067 -5.549 -3.880
153 HA GLN 25 HA GLN 25 1.434 -4.079 -5.859
154 HB2 GLN 25 1HB GLN 25 -1.457 -4.639 -5.293
155 HB3 GLN 25 2HB GLN 25 -1.012 -3.500 -6.557
156 HG2 GLN 25 1HG GLN 25 0.551 -5.505 -7.296
157 HG3 GLN 25 2HG GLN 25 -0.677 -6.440 -6.444
158 HE21 GLN 25 1HE2 GLN 25 -2.077 -7.254 -7.815
159 HE22 GLN 25 2HE2 GLN 25 -2.737 -6.457 -9.199
160 H LEU 26 H LEU 26 -0.345 -3.130 -3.011
161 HA LEU 26 HA LEU 26 -0.488 -0.348 -3.749
162 HB2 LEU 26 1HB LEU 26 -2.239 -1.134 -2.378
163 HB3 LEU 26 2HB LEU 26 -1.116 -1.876 -1.241
164 HG LEU 26 HG LEU 26 -0.408 0.368 -0.510
165 HD11 LEU 26 1HD1 LEU 26 -2.675 1.765 -1.681
166 HD12 LEU 26 2HD1 LEU 26 -1.501 1.226 -2.881
167 HD13 LEU 26 3HD1 LEU 26 -0.987 2.255 -1.545
168 HD21 LEU 26 3HD2 LEU 26 -2.425 0.913 0.726
169 HD22 LEU 26 1HD2 LEU 26 -2.200 -0.835 0.663
170 HD23 LEU 26 2HD2 LEU 26 -3.392 -0.062 -0.382
171 H ILE 27 H ILE 27 1.361 -2.271 -1.400
172 HA ILE 27 HA ILE 27 2.839 -0.255 -0.222
173 HB ILE 27 HB ILE 27 3.763 -3.055 -0.881
174 HG12 ILE 27 1HG1 ILE 27 2.727 -2.042 1.761
175 HG13 ILE 27 2HG1 ILE 27 1.647 -2.699 0.536
176 HG21 ILE 27 1HG2 ILE 27 5.276 -0.919 0.050
177 HG22 ILE 27 2HG2 ILE 27 4.895 -1.856 1.493
178 HG23 ILE 27 3HG2 ILE 27 5.701 -2.628 0.128
179 HD11 ILE 27 3HD1 ILE 27 2.936 -4.802 0.589
180 HD12 ILE 27 1HD1 ILE 27 3.911 -4.135 1.898
181 HD13 ILE 27 2HD1 ILE 27 2.184 -4.404 2.133
182 H ILE 28 H ILE 28 3.566 -2.072 -3.184
183 HA ILE 28 HA ILE 28 6.050 -0.853 -3.712
184 HB ILE 28 HB ILE 28 4.078 -2.103 -5.627
185 HG12 ILE 28 1HG1 ILE 28 6.648 -3.363 -4.771
186 HG13 ILE 28 2HG1 ILE 28 5.284 -3.400 -3.659
187 HG21 ILE 28 1HG2 ILE 28 5.466 -0.740 -6.952
188 HG22 ILE 28 2HG2 ILE 28 6.902 -1.155 -6.016
189 HG23 ILE 28 3HG2 ILE 28 6.155 -2.360 -7.066
190 HD11 ILE 28 3HD1 ILE 28 5.530 -4.645 -6.368
191 HD12 ILE 28 1HD1 ILE 28 5.147 -5.407 -4.825
192 HD13 ILE 28 2HD1 ILE 28 3.959 -4.370 -5.615
193 H HIS 29 H HIS 29 2.767 0.142 -4.317
194 HA HIS 29 HA HIS 29 3.361 2.144 -6.252
195 HB2 HIS 29 1HB HIS 29 1.133 1.531 -6.318
196 HB3 HIS 29 2HB HIS 29 0.994 1.449 -4.564
197 HD1 HIS 29 HD1 HIS 29 1.359 4.088 -7.276
198 HD2 HIS 29 HD2 HIS 29 -0.211 3.613 -3.459
199 HE1 HIS 29 HE1 HIS 29 0.160 6.239 -6.769
200 H GLN 30 H GLN 30 2.572 2.336 -2.780
201 HA GLN 30 HA GLN 30 2.810 5.038 -2.387
202 HB2 GLN 30 1HB GLN 30 3.612 2.764 -0.575
203 HB3 GLN 30 2HB GLN 30 3.586 4.443 -0.053
204 HG2 GLN 30 1HG GLN 30 1.229 4.587 -0.405
205 HG3 GLN 30 2HG GLN 30 1.195 2.996 -1.163
206 HE21 GLN 30 1HE2 GLN 30 -0.533 3.268 0.765
207 HE22 GLN 30 2HE2 GLN 30 -0.027 2.495 2.225
208 H ARG 31 H ARG 31 5.276 2.835 -3.254
209 HA ARG 31 HA ARG 31 7.540 4.096 -2.180
210 HB2 ARG 31 1HB ARG 31 7.326 2.564 -4.778
211 HB3 ARG 31 2HB ARG 31 8.807 2.895 -3.890
212 HG2 ARG 31 1HG ARG 31 7.962 1.557 -2.012
213 HG3 ARG 31 2HG ARG 31 6.510 1.194 -2.947
214 HD2 ARG 31 1HD ARG 31 7.716 -0.058 -4.531
215 HD3 ARG 31 2HD ARG 31 9.262 0.583 -3.979
216 HE ARG 31 HE ARG 31 7.754 -1.589 -2.807
217 HH11 ARG 31 1HH1 ARG 31 10.307 0.742 -2.398
218 HH12 ARG 31 2HH1 ARG 31 11.102 -0.153 -1.146
219 HH21 ARG 31 1HH2 ARG 31 8.791 -2.777 -1.158
220 HH22 ARG 31 2HH2 ARG 31 10.239 -2.155 -0.442
221 H THR 32 H THR 32 6.107 4.403 -5.430
222 HA THR 32 HA THR 32 7.821 6.344 -6.431
223 HB THR 32 HB THR 32 5.945 5.042 -7.640
224 HG1 THR 32 HG1 THR 32 6.877 7.637 -8.091
225 HG21 THR 32 3HG2 THR 32 4.398 7.516 -6.864
226 HG22 THR 32 1HG2 THR 32 4.118 5.908 -6.199
227 HG23 THR 32 2HG2 THR 32 3.847 6.212 -7.915
228 H HIS 33 H HIS 33 4.989 6.679 -4.375
229 HA HIS 33 HA HIS 33 4.561 9.418 -4.568
230 HB2 HIS 33 1HB HIS 33 4.017 7.348 -2.500
231 HB3 HIS 33 2HB HIS 33 3.888 9.035 -2.011
232 HD1 HIS 33 HD1 HIS 33 2.466 10.379 -4.215
233 HD2 HIS 33 HD2 HIS 33 1.526 6.497 -3.071
234 HE1 HIS 33 HE1 HIS 33 0.116 9.990 -5.023
235 H THR 34 H THR 34 6.548 7.691 -2.163
236 HA THR 34 HA THR 34 7.575 9.995 -0.923
237 HB THR 34 HB THR 34 9.359 8.501 -0.042
238 HG1 THR 34 HG1 THR 34 8.053 6.468 -1.553
239 HG21 THR 34 3HG2 THR 34 6.670 7.151 0.106
240 HG22 THR 34 1HG2 THR 34 7.029 8.663 0.939
241 HG23 THR 34 2HG2 THR 34 7.932 7.201 1.337
242 H GLY 35 H GLY 35 8.233 11.442 -2.551
243 HA2 GLY 35 1HA GLY 35 10.968 11.275 -3.265
244 HA3 GLY 35 2HA GLY 35 9.969 10.894 -4.659
245 H GLU 36 H GLU 36 7.825 12.652 -4.131
246 HA GLU 36 HA GLU 36 9.066 15.306 -4.102
247 HB2 GLU 36 1HB GLU 36 8.976 14.761 -6.444
248 HB3 GLU 36 2HB GLU 36 7.309 14.219 -6.304
249 HG2 GLU 36 1HG GLU 36 7.338 16.367 -7.346
250 HG3 GLU 36 2HG GLU 36 6.648 16.530 -5.732
251 H SER 37 H SER 37 7.788 16.922 -3.296
252 HA SER 37 HA SER 37 5.003 16.273 -2.637
253 HB2 SER 37 1HB SER 37 7.148 17.184 -0.726
254 HB3 SER 37 2HB SER 37 5.438 17.454 -0.391
255 HG SER 37 HG SER 37 6.541 15.415 0.383
256 H GLY 38 H GLY 38 3.600 17.919 -2.914
257 HA2 GLY 38 1HA GLY 38 4.722 20.455 -3.877
258 HA3 GLY 38 2HA GLY 38 3.088 19.877 -4.167
259 HA PRO 39 HA PRO 39 3.229 23.014 -0.646
260 HB2 PRO 39 1HB PRO 39 1.747 24.933 -1.867
261 HB3 PRO 39 2HB PRO 39 3.508 24.851 -1.997
262 HG2 PRO 39 1HG PRO 39 1.421 23.913 -3.926
263 HG3 PRO 39 2HG PRO 39 2.932 24.783 -4.249
264 HD2 PRO 39 1HD PRO 39 2.685 22.110 -4.607
265 HD3 PRO 39 2HD PRO 39 4.210 22.870 -4.108
266 H SER 40 H SER 40 1.885 21.670 0.554
267 HA SER 40 HA SER 40 -0.828 22.418 0.742
268 HB2 SER 40 1HB SER 40 -0.719 20.858 -1.349
269 HB3 SER 40 2HB SER 40 -0.577 19.564 -0.160
270 HG SER 40 HG SER 40 -2.748 21.118 -0.829
271 H SER 41 H SER 41 -1.875 21.494 2.549
272 HA SER 41 HA SER 41 -0.022 20.430 4.513
273 HB2 SER 41 1HB SER 41 -2.940 21.168 4.840
274 HB3 SER 41 2HB SER 41 -1.784 20.862 6.135
275 HG SER 41 HG SER 41 -1.966 23.054 4.387
276 H GLY 42 H GLY 42 -0.038 18.411 5.353
277 HA2 GLY 42 1HA GLY 42 -1.042 16.330 5.911
278 HA3 GLY 42 2HA GLY 42 -2.251 16.612 4.667
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -24.512 0.269 -16.434
2 HA2 GLY 1 1HA GLY 1 -21.941 0.741 -16.276
3 HA3 GLY 1 2HA GLY 1 -23.059 2.016 -15.811
4 H SER 2 H SER 2 -23.638 2.178 -13.531
5 HA SER 2 HA SER 2 -21.304 1.743 -11.872
6 HB2 SER 2 1HB SER 2 -23.818 3.340 -11.644
7 HB3 SER 2 2HB SER 2 -22.959 2.917 -10.162
8 HG SER 2 HG SER 2 -21.144 3.965 -10.949
9 H SER 3 H SER 3 -22.232 -0.690 -12.486
10 HA SER 3 HA SER 3 -22.834 -1.807 -9.935
11 HB2 SER 3 1HB SER 3 -25.105 -1.175 -10.432
12 HB3 SER 3 2HB SER 3 -24.992 -1.856 -12.055
13 HG SER 3 HG SER 3 -24.515 -3.512 -9.844
14 H GLY 4 H GLY 4 -21.600 -3.558 -9.899
15 HA2 GLY 4 1HA GLY 4 -21.330 -5.848 -10.716
16 HA3 GLY 4 2HA GLY 4 -21.442 -5.204 -12.347
17 H SER 5 H SER 5 -19.551 -4.060 -9.569
18 HA SER 5 HA SER 5 -17.175 -4.052 -11.263
19 HB2 SER 5 1HB SER 5 -17.539 -2.956 -8.464
20 HB3 SER 5 2HB SER 5 -16.159 -2.675 -9.526
21 HG SER 5 HG SER 5 -17.247 -1.149 -10.460
22 H SER 6 H SER 6 -16.807 -6.312 -11.316
23 HA SER 6 HA SER 6 -16.410 -7.805 -8.901
24 HB2 SER 6 1HB SER 6 -17.154 -9.054 -10.784
25 HB3 SER 6 2HB SER 6 -15.878 -8.402 -11.813
26 HG SER 6 HG SER 6 -15.444 -10.545 -11.072
27 H GLY 7 H GLY 7 -14.820 -6.749 -7.715
28 HA2 GLY 7 1HA GLY 7 -12.247 -7.562 -7.811
29 HA3 GLY 7 2HA GLY 7 -12.243 -6.182 -8.900
30 H GLU 8 H GLU 8 -13.804 -6.840 -5.762
31 HA GLU 8 HA GLU 8 -13.582 -4.221 -4.810
32 HB2 GLU 8 1HB GLU 8 -15.050 -6.071 -3.899
33 HB3 GLU 8 2HB GLU 8 -13.623 -6.698 -3.087
34 HG2 GLU 8 1HG GLU 8 -14.914 -5.390 -1.545
35 HG3 GLU 8 2HG GLU 8 -13.396 -4.562 -1.887
36 H LYS 9 H LYS 9 -11.886 -3.079 -4.179
37 HA LYS 9 HA LYS 9 -9.385 -4.482 -3.559
38 HB2 LYS 9 1HB LYS 9 -9.891 -1.582 -4.251
39 HB3 LYS 9 2HB LYS 9 -8.310 -2.281 -3.924
40 HG2 LYS 9 1HG LYS 9 -8.259 -3.437 -5.913
41 HG3 LYS 9 2HG LYS 9 -10.017 -3.447 -6.075
42 HD2 LYS 9 1HD LYS 9 -9.848 -0.925 -6.364
43 HD3 LYS 9 2HD LYS 9 -8.110 -1.169 -6.554
44 HE2 LYS 9 1HE LYS 9 -8.627 -2.782 -8.396
45 HE3 LYS 9 2HE LYS 9 -10.317 -2.299 -8.267
46 HZ1 LYS 9 3HZ LYS 9 -9.904 -0.270 -9.172
47 HZ2 LYS 9 1HZ LYS 9 -8.684 -1.148 -9.949
48 HZ3 LYS 9 2HZ LYS 9 -8.313 -0.195 -8.602
49 HA PRO 10 HA PRO 10 -10.558 -3.401 0.686
50 HB2 PRO 10 1HB PRO 10 -8.877 -5.201 1.828
51 HB3 PRO 10 2HB PRO 10 -10.466 -5.640 1.192
52 HG2 PRO 10 1HG PRO 10 -7.770 -5.950 -0.071
53 HG3 PRO 10 2HG PRO 10 -9.125 -7.093 -0.031
54 HD2 PRO 10 1HD PRO 10 -8.582 -5.552 -2.190
55 HD3 PRO 10 2HD PRO 10 -10.234 -6.033 -1.752
56 H TYR 11 H TYR 11 -7.708 -3.065 -1.101
57 HA TYR 11 HA TYR 11 -6.376 -1.658 1.118
58 HB2 TYR 11 1HB TYR 11 -5.087 -2.718 -1.403
59 HB3 TYR 11 2HB TYR 11 -4.269 -2.053 0.007
60 HD1 TYR 11 HD1 TYR 11 -6.033 -4.962 -1.355
61 HD2 TYR 11 HD2 TYR 11 -4.010 -3.365 2.030
62 HE1 TYR 11 HE1 TYR 11 -5.882 -7.219 -0.388
63 HE2 TYR 11 HE2 TYR 11 -3.852 -5.617 3.006
64 HH TYR 11 HH TYR 11 -4.480 -7.750 2.824
65 H GLU 12 H GLU 12 -5.982 0.466 0.940
66 HA GLU 12 HA GLU 12 -6.235 1.739 -1.693
67 HB2 GLU 12 1HB GLU 12 -7.857 2.261 0.744
68 HB3 GLU 12 2HB GLU 12 -7.363 3.653 -0.209
69 HG2 GLU 12 1HG GLU 12 -9.420 3.136 -1.103
70 HG3 GLU 12 2HG GLU 12 -8.310 2.332 -2.211
71 H CYS 13 H CYS 13 -5.006 3.591 -1.992
72 HA CYS 13 HA CYS 13 -2.713 3.823 -0.268
73 HB2 CYS 13 1HB CYS 13 -2.653 3.992 -2.791
74 HB3 CYS 13 2HB CYS 13 -3.417 5.570 -2.630
75 H THR 14 H THR 14 -2.504 5.153 1.397
76 HA THR 14 HA THR 14 -4.542 7.164 1.895
77 HB THR 14 HB THR 14 -3.474 7.425 4.097
78 HG1 THR 14 HG1 THR 14 -1.642 6.303 4.608
79 HG21 THR 14 3HG2 THR 14 -3.664 4.872 4.732
80 HG22 THR 14 1HG2 THR 14 -4.298 4.741 3.092
81 HG23 THR 14 2HG2 THR 14 -5.089 5.799 4.261
82 H ASP 15 H ASP 15 -2.479 7.493 -0.235
83 HA ASP 15 HA ASP 15 -1.285 10.006 0.739
84 HB2 ASP 15 1HB ASP 15 -0.173 7.822 -0.947
85 HB3 ASP 15 2HB ASP 15 0.282 9.472 -1.364
86 H CYS 16 H CYS 16 -2.858 8.349 -1.938
87 HA CYS 16 HA CYS 16 -3.528 10.981 -3.077
88 HB2 CYS 16 1HB CYS 16 -3.434 9.981 -5.323
89 HB3 CYS 16 2HB CYS 16 -1.876 9.888 -4.510
90 H GLY 17 H GLY 17 -4.487 7.637 -2.540
91 HA2 GLY 17 1HA GLY 17 -6.801 7.316 -1.769
92 HA3 GLY 17 2HA GLY 17 -7.286 8.462 -3.010
93 H LYS 18 H LYS 18 -4.821 6.192 -3.806
94 HA LYS 18 HA LYS 18 -6.462 5.039 -5.859
95 HB2 LYS 18 1HB LYS 18 -3.876 5.518 -5.818
96 HB3 LYS 18 2HB LYS 18 -3.795 3.916 -5.096
97 HG2 LYS 18 1HG LYS 18 -4.623 2.879 -7.012
98 HG3 LYS 18 2HG LYS 18 -5.267 4.388 -7.662
99 HD2 LYS 18 1HD LYS 18 -2.336 4.207 -7.196
100 HD3 LYS 18 2HD LYS 18 -3.013 3.321 -8.564
101 HE2 LYS 18 1HE LYS 18 -2.606 5.313 -9.589
102 HE3 LYS 18 2HE LYS 18 -4.228 5.639 -8.982
103 HZ1 LYS 18 3HZ LYS 18 -1.757 6.893 -8.302
104 HZ2 LYS 18 1HZ LYS 18 -2.572 6.341 -6.925
105 HZ3 LYS 18 2HZ LYS 18 -3.341 7.402 -7.995
106 H ALA 19 H ALA 19 -6.279 2.545 -6.142
107 HA ALA 19 HA ALA 19 -6.666 1.183 -3.570
108 HB1 ALA 19 3HB ALA 19 -8.892 1.588 -4.119
109 HB2 ALA 19 1HB ALA 19 -8.616 1.322 -5.841
110 HB3 ALA 19 2HB ALA 19 -8.610 -0.044 -4.724
111 H PHE 20 H PHE 20 -6.477 -1.141 -3.688
112 HA PHE 20 HA PHE 20 -5.465 -2.324 -6.124
113 HB2 PHE 20 1HB PHE 20 -3.690 -2.188 -3.678
114 HB3 PHE 20 2HB PHE 20 -3.321 -3.012 -5.189
115 HD1 PHE 20 HD1 PHE 20 -3.745 0.268 -3.584
116 HD2 PHE 20 HD2 PHE 20 -2.522 -1.819 -7.086
117 HE1 PHE 20 HE1 PHE 20 -2.714 2.328 -4.447
118 HE2 PHE 20 HE2 PHE 20 -1.488 0.238 -7.955
119 HZ PHE 20 HZ PHE 20 -1.583 2.315 -6.635
120 H GLY 21 H GLY 21 -6.139 -4.367 -6.246
121 HA2 GLY 21 1HA GLY 21 -7.667 -5.552 -4.187
122 HA3 GLY 21 2HA GLY 21 -7.112 -6.359 -5.646
123 H LEU 22 H LEU 22 -4.278 -5.593 -4.836
124 HA LEU 22 HA LEU 22 -3.913 -7.818 -2.946
125 HB2 LEU 22 1HB LEU 22 -2.373 -6.825 -5.276
126 HB3 LEU 22 2HB LEU 22 -1.456 -7.493 -3.927
127 HG LEU 22 HG LEU 22 -3.437 -8.885 -5.710
128 HD11 LEU 22 1HD1 LEU 22 -1.354 -10.500 -5.618
129 HD12 LEU 22 2HD1 LEU 22 -0.512 -9.009 -5.200
130 HD13 LEU 22 3HD1 LEU 22 -1.404 -9.121 -6.717
131 HD21 LEU 22 3HD2 LEU 22 -2.733 -9.449 -2.914
132 HD22 LEU 22 1HD2 LEU 22 -2.584 -10.819 -4.015
133 HD23 LEU 22 2HD2 LEU 22 -4.123 -9.972 -3.866
134 H LYS 23 H LYS 23 -1.991 -7.635 -1.508
135 HA LYS 23 HA LYS 23 -1.990 -5.016 -0.250
136 HB2 LYS 23 1HB LYS 23 -2.275 -6.928 1.199
137 HB3 LYS 23 2HB LYS 23 -0.803 -7.667 0.583
138 HG2 LYS 23 1HG LYS 23 -0.039 -6.806 2.550
139 HG3 LYS 23 2HG LYS 23 0.297 -5.453 1.468
140 HD2 LYS 23 1HD LYS 23 -2.051 -4.623 2.135
141 HD3 LYS 23 2HD LYS 23 -1.910 -5.761 3.477
142 HE2 LYS 23 1HE LYS 23 0.359 -4.620 3.914
143 HE3 LYS 23 2HE LYS 23 -0.255 -3.333 2.877
144 HZ1 LYS 23 3HZ LYS 23 -2.119 -4.151 4.904
145 HZ2 LYS 23 1HZ LYS 23 -1.597 -2.599 4.479
146 HZ3 LYS 23 2HZ LYS 23 -0.677 -3.538 5.543
147 H SER 24 H SER 24 0.111 -7.039 -2.138
148 HA SER 24 HA SER 24 2.497 -5.535 -1.530
149 HB2 SER 24 1HB SER 24 2.546 -7.966 -2.102
150 HB3 SER 24 2HB SER 24 2.043 -7.553 -3.741
151 HG SER 24 HG SER 24 4.500 -7.254 -2.509
152 H GLN 25 H GLN 25 -0.004 -5.521 -3.952
153 HA GLN 25 HA GLN 25 1.341 -4.018 -5.928
154 HB2 GLN 25 1HB GLN 25 -1.531 -4.588 -5.307
155 HB3 GLN 25 2HB GLN 25 -1.133 -3.369 -6.511
156 HG2 GLN 25 1HG GLN 25 0.405 -5.314 -7.434
157 HG3 GLN 25 2HG GLN 25 -0.785 -6.310 -6.595
158 HE21 GLN 25 1HE2 GLN 25 -2.304 -7.009 -7.896
159 HE22 GLN 25 2HE2 GLN 25 -2.993 -6.147 -9.225
160 H LEU 26 H LEU 26 -0.351 -3.134 -3.006
161 HA LEU 26 HA LEU 26 -0.482 -0.331 -3.647
162 HB2 LEU 26 1HB LEU 26 -2.182 -1.142 -2.227
163 HB3 LEU 26 2HB LEU 26 -1.020 -1.931 -1.163
164 HG LEU 26 HG LEU 26 -0.243 0.316 -0.437
165 HD11 LEU 26 1HD1 LEU 26 -0.990 2.231 -1.317
166 HD12 LEU 26 2HD1 LEU 26 -2.655 1.657 -1.404
167 HD13 LEU 26 3HD1 LEU 26 -1.508 1.231 -2.674
168 HD21 LEU 26 3HD2 LEU 26 -2.121 -1.101 0.639
169 HD22 LEU 26 1HD2 LEU 26 -3.198 0.142 0.001
170 HD23 LEU 26 2HD2 LEU 26 -1.923 0.580 1.138
171 H ILE 27 H ILE 27 1.414 -2.316 -1.382
172 HA ILE 27 HA ILE 27 2.965 -0.368 -0.216
173 HB ILE 27 HB ILE 27 3.893 -3.121 -1.044
174 HG12 ILE 27 1HG1 ILE 27 2.896 -2.311 1.677
175 HG13 ILE 27 2HG1 ILE 27 1.783 -2.854 0.427
176 HG21 ILE 27 1HG2 ILE 27 5.872 -2.526 -0.235
177 HG22 ILE 27 2HG2 ILE 27 5.251 -0.946 0.240
178 HG23 ILE 27 3HG2 ILE 27 5.118 -2.315 1.345
179 HD11 ILE 27 3HD1 ILE 27 2.995 -4.465 2.231
180 HD12 ILE 27 1HD1 ILE 27 2.369 -4.995 0.670
181 HD13 ILE 27 2HD1 ILE 27 4.082 -4.613 0.850
182 H ILE 28 H ILE 28 3.538 -2.035 -3.295
183 HA ILE 28 HA ILE 28 6.001 -0.760 -3.863
184 HB ILE 28 HB ILE 28 4.009 -2.005 -5.762
185 HG12 ILE 28 1HG1 ILE 28 6.586 -3.206 -4.765
186 HG13 ILE 28 2HG1 ILE 28 5.069 -3.425 -3.899
187 HG21 ILE 28 1HG2 ILE 28 6.915 -1.336 -6.209
188 HG22 ILE 28 2HG2 ILE 28 5.829 -2.113 -7.359
189 HG23 ILE 28 3HG2 ILE 28 5.549 -0.441 -6.874
190 HD11 ILE 28 3HD1 ILE 28 4.294 -4.157 -6.356
191 HD12 ILE 28 1HD1 ILE 28 5.998 -4.605 -6.430
192 HD13 ILE 28 2HD1 ILE 28 4.964 -5.276 -5.168
193 H HIS 29 H HIS 29 2.661 0.111 -4.415
194 HA HIS 29 HA HIS 29 3.157 2.189 -6.292
195 HB2 HIS 29 1HB HIS 29 0.956 1.386 -6.300
196 HB3 HIS 29 2HB HIS 29 0.825 1.453 -4.545
197 HD1 HIS 29 HD1 HIS 29 0.811 3.708 -7.571
198 HD2 HIS 29 HD2 HIS 29 -0.159 3.813 -3.532
199 HE1 HIS 29 HE1 HIS 29 -0.383 5.893 -7.223
200 H GLN 30 H GLN 30 2.698 2.131 -2.778
201 HA GLN 30 HA GLN 30 2.684 4.852 -2.269
202 HB2 GLN 30 1HB GLN 30 3.671 2.506 -0.670
203 HB3 GLN 30 2HB GLN 30 3.788 4.145 -0.043
204 HG2 GLN 30 1HG GLN 30 1.328 4.370 -0.380
205 HG3 GLN 30 2HG GLN 30 1.287 2.657 -0.794
206 HE21 GLN 30 1HE2 GLN 30 0.833 1.331 0.802
207 HE22 GLN 30 2HE2 GLN 30 1.072 1.640 2.485
208 H ARG 31 H ARG 31 5.244 2.892 -3.409
209 HA ARG 31 HA ARG 31 7.483 4.257 -2.432
210 HB2 ARG 31 1HB ARG 31 7.148 2.860 -5.094
211 HB3 ARG 31 2HB ARG 31 8.683 3.296 -4.354
212 HG2 ARG 31 1HG ARG 31 7.912 1.844 -2.381
213 HG3 ARG 31 2HG ARG 31 6.719 1.201 -3.512
214 HD2 ARG 31 1HD ARG 31 8.527 -0.273 -3.679
215 HD3 ARG 31 2HD ARG 31 8.699 0.787 -5.078
216 HE ARG 31 HE ARG 31 10.196 1.929 -3.061
217 HH11 ARG 31 1HH1 ARG 31 10.153 -1.080 -4.811
218 HH12 ARG 31 2HH1 ARG 31 11.860 -1.338 -4.669
219 HH21 ARG 31 1HH2 ARG 31 12.445 1.600 -2.866
220 HH22 ARG 31 2HH2 ARG 31 13.163 0.187 -3.561
221 H THR 32 H THR 32 5.304 4.974 -5.076
222 HA THR 32 HA THR 32 6.954 7.062 -6.173
223 HB THR 32 HB THR 32 5.334 5.736 -7.548
224 HG1 THR 32 HG1 THR 32 4.515 7.694 -8.631
225 HG21 THR 32 3HG2 THR 32 2.974 7.150 -7.250
226 HG22 THR 32 1HG2 THR 32 3.485 6.837 -5.591
227 HG23 THR 32 2HG2 THR 32 3.270 5.496 -6.716
228 H HIS 33 H HIS 33 5.488 6.943 -3.333
229 HA HIS 33 HA HIS 33 4.611 9.756 -3.421
230 HB2 HIS 33 1HB HIS 33 3.632 7.452 -1.740
231 HB3 HIS 33 2HB HIS 33 3.297 9.129 -1.320
232 HD1 HIS 33 HD1 HIS 33 2.281 10.453 -3.668
233 HD2 HIS 33 HD2 HIS 33 1.534 6.412 -3.063
234 HE1 HIS 33 HE1 HIS 33 0.262 9.925 -5.072
235 H THR 34 H THR 34 7.318 8.616 -2.993
236 HA THR 34 HA THR 34 7.813 9.756 -0.320
237 HB THR 34 HB THR 34 9.825 8.257 -0.201
238 HG1 THR 34 HG1 THR 34 9.829 6.458 -1.628
239 HG21 THR 34 3HG2 THR 34 7.290 7.781 0.588
240 HG22 THR 34 1HG2 THR 34 8.632 6.684 0.909
241 HG23 THR 34 2HG2 THR 34 7.556 6.384 -0.456
242 H GLY 35 H GLY 35 9.204 9.149 -3.534
243 HA2 GLY 35 1HA GLY 35 11.185 11.256 -3.073
244 HA3 GLY 35 2HA GLY 35 11.173 10.123 -4.416
245 H GLU 36 H GLU 36 11.181 13.197 -4.051
246 HA GLU 36 HA GLU 36 8.783 14.099 -5.306
247 HB2 GLU 36 1HB GLU 36 11.443 15.353 -4.703
248 HB3 GLU 36 2HB GLU 36 10.273 16.190 -5.713
249 HG2 GLU 36 1HG GLU 36 9.452 15.136 -3.046
250 HG3 GLU 36 2HG GLU 36 10.351 16.647 -3.163
251 H SER 37 H SER 37 8.281 13.505 -7.311
252 HA SER 37 HA SER 37 10.183 14.030 -9.449
253 HB2 SER 37 1HB SER 37 9.932 11.829 -10.465
254 HB3 SER 37 2HB SER 37 10.567 11.658 -8.829
255 HG SER 37 HG SER 37 8.218 11.389 -8.268
256 H GLY 38 H GLY 38 9.124 15.237 -10.867
257 HA2 GLY 38 1HA GLY 38 7.071 14.693 -12.464
258 HA3 GLY 38 2HA GLY 38 6.213 15.114 -10.989
259 HA PRO 39 HA PRO 39 7.754 18.895 -13.555
260 HB2 PRO 39 1HB PRO 39 5.708 19.231 -15.307
261 HB3 PRO 39 2HB PRO 39 7.153 18.286 -15.687
262 HG2 PRO 39 1HG PRO 39 4.454 17.345 -14.798
263 HG3 PRO 39 2HG PRO 39 5.510 16.682 -16.058
264 HD2 PRO 39 1HD PRO 39 5.329 15.591 -13.586
265 HD3 PRO 39 2HD PRO 39 6.827 15.556 -14.538
266 H SER 40 H SER 40 4.313 18.094 -13.039
267 HA SER 40 HA SER 40 4.022 20.667 -11.630
268 HB2 SER 40 1HB SER 40 2.083 19.128 -13.350
269 HB3 SER 40 2HB SER 40 1.540 20.369 -12.221
270 HG SER 40 HG SER 40 3.262 20.665 -14.449
271 H SER 41 H SER 41 2.787 20.726 -9.731
272 HA SER 41 HA SER 41 1.465 18.507 -8.609
273 HB2 SER 41 1HB SER 41 2.995 17.686 -7.007
274 HB3 SER 41 2HB SER 41 3.930 17.790 -8.499
275 HG SER 41 HG SER 41 4.785 19.760 -7.749
276 H GLY 42 H GLY 42 0.128 19.225 -7.062
277 HA2 GLY 42 1HA GLY 42 0.481 20.823 -4.942
278 HA3 GLY 42 2HA GLY 42 0.361 22.001 -6.240
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -4.157 -5.577 -20.719
2 HA2 GLY 1 1HA GLY 1 -3.972 -2.918 -20.892
3 HA3 GLY 1 2HA GLY 1 -3.517 -3.387 -22.523
4 H SER 2 H SER 2 -5.992 -4.578 -20.254
5 HA SER 2 HA SER 2 -8.052 -3.817 -22.201
6 HB2 SER 2 1HB SER 2 -7.855 -6.536 -20.882
7 HB3 SER 2 2HB SER 2 -9.171 -5.992 -21.922
8 HG SER 2 HG SER 2 -6.762 -7.007 -22.602
9 H SER 3 H SER 3 -10.048 -3.301 -21.333
10 HA SER 3 HA SER 3 -10.019 -2.500 -18.575
11 HB2 SER 3 1HB SER 3 -12.126 -2.317 -20.734
12 HB3 SER 3 2HB SER 3 -12.362 -1.703 -19.098
13 HG SER 3 HG SER 3 -10.133 -0.930 -20.646
14 H GLY 4 H GLY 4 -10.205 -4.072 -17.092
15 HA2 GLY 4 1HA GLY 4 -12.669 -5.411 -16.728
16 HA3 GLY 4 2HA GLY 4 -11.490 -6.527 -17.401
17 H SER 5 H SER 5 -11.166 -3.909 -15.015
18 HA SER 5 HA SER 5 -10.107 -5.910 -13.127
19 HB2 SER 5 1HB SER 5 -9.219 -3.112 -13.749
20 HB3 SER 5 2HB SER 5 -8.914 -3.795 -12.152
21 HG SER 5 HG SER 5 -7.696 -4.324 -14.537
22 H SER 6 H SER 6 -12.830 -5.417 -13.247
23 HA SER 6 HA SER 6 -13.492 -3.506 -11.163
24 HB2 SER 6 1HB SER 6 -15.845 -4.275 -11.606
25 HB3 SER 6 2HB SER 6 -15.022 -3.614 -13.019
26 HG SER 6 HG SER 6 -15.032 -6.384 -12.465
27 H GLY 7 H GLY 7 -12.442 -4.443 -9.367
28 HA2 GLY 7 1HA GLY 7 -13.930 -6.715 -8.232
29 HA3 GLY 7 2HA GLY 7 -12.173 -6.759 -8.253
30 H GLU 8 H GLU 8 -13.199 -7.048 -5.858
31 HA GLU 8 HA GLU 8 -13.546 -4.485 -4.545
32 HB2 GLU 8 1HB GLU 8 -13.516 -7.318 -3.499
33 HB3 GLU 8 2HB GLU 8 -13.741 -5.905 -2.478
34 HG2 GLU 8 1HG GLU 8 -15.904 -6.567 -2.846
35 HG3 GLU 8 2HG GLU 8 -15.683 -5.357 -4.109
36 H LYS 9 H LYS 9 -11.832 -3.297 -4.058
37 HA LYS 9 HA LYS 9 -9.289 -4.632 -3.448
38 HB2 LYS 9 1HB LYS 9 -9.827 -1.735 -4.127
39 HB3 LYS 9 2HB LYS 9 -8.242 -2.459 -3.886
40 HG2 LYS 9 1HG LYS 9 -8.288 -3.566 -5.895
41 HG3 LYS 9 2HG LYS 9 -10.051 -3.594 -5.962
42 HD2 LYS 9 1HD LYS 9 -10.123 -1.250 -6.493
43 HD3 LYS 9 2HD LYS 9 -8.382 -1.098 -6.245
44 HE2 LYS 9 1HE LYS 9 -9.375 -3.068 -8.245
45 HE3 LYS 9 2HE LYS 9 -9.412 -1.354 -8.660
46 HZ1 LYS 9 3HZ LYS 9 -6.981 -2.750 -7.689
47 HZ2 LYS 9 1HZ LYS 9 -7.079 -1.195 -8.347
48 HZ3 LYS 9 2HZ LYS 9 -7.349 -2.546 -9.327
49 HA PRO 10 HA PRO 10 -10.492 -3.517 0.781
50 HB2 PRO 10 1HB PRO 10 -8.783 -5.274 1.950
51 HB3 PRO 10 2HB PRO 10 -10.364 -5.747 1.319
52 HG2 PRO 10 1HG PRO 10 -7.662 -6.031 0.063
53 HG3 PRO 10 2HG PRO 10 -8.998 -7.195 0.117
54 HD2 PRO 10 1HD PRO 10 -8.477 -5.674 -2.062
55 HD3 PRO 10 2HD PRO 10 -10.121 -6.177 -1.619
56 H TYR 11 H TYR 11 -7.697 -3.083 -1.030
57 HA TYR 11 HA TYR 11 -6.360 -1.668 1.182
58 HB2 TYR 11 1HB TYR 11 -5.087 -2.698 -1.359
59 HB3 TYR 11 2HB TYR 11 -4.259 -1.998 0.027
60 HD1 TYR 11 HD1 TYR 11 -5.983 -4.967 -1.263
61 HD2 TYR 11 HD2 TYR 11 -3.902 -3.286 2.045
62 HE1 TYR 11 HE1 TYR 11 -5.746 -7.209 -0.281
63 HE2 TYR 11 HE2 TYR 11 -3.658 -5.524 3.036
64 HH TYR 11 HH TYR 11 -4.227 -7.675 2.889
65 H GLU 12 H GLU 12 -5.824 0.449 0.947
66 HA GLU 12 HA GLU 12 -6.247 1.727 -1.654
67 HB2 GLU 12 1HB GLU 12 -7.760 2.245 0.852
68 HB3 GLU 12 2HB GLU 12 -7.304 3.641 -0.113
69 HG2 GLU 12 1HG GLU 12 -9.393 3.139 -0.931
70 HG3 GLU 12 2HG GLU 12 -8.337 2.319 -2.080
71 H CYS 13 H CYS 13 -5.017 3.560 -2.018
72 HA CYS 13 HA CYS 13 -2.647 3.791 -0.413
73 HB2 CYS 13 1HB CYS 13 -2.800 4.011 -2.958
74 HB3 CYS 13 2HB CYS 13 -3.445 5.623 -2.671
75 H THR 14 H THR 14 -2.429 5.033 1.314
76 HA THR 14 HA THR 14 -4.410 7.055 1.929
77 HB THR 14 HB THR 14 -3.015 7.325 4.043
78 HG1 THR 14 HG1 THR 14 -1.852 4.848 3.391
79 HG21 THR 14 3HG2 THR 14 -4.043 5.496 5.084
80 HG22 THR 14 1HG2 THR 14 -3.916 4.487 3.644
81 HG23 THR 14 2HG2 THR 14 -5.070 5.820 3.688
82 H ASP 15 H ASP 15 -2.473 7.437 -0.299
83 HA ASP 15 HA ASP 15 -1.235 9.935 0.660
84 HB2 ASP 15 1HB ASP 15 -0.194 7.783 -1.110
85 HB3 ASP 15 2HB ASP 15 0.233 9.442 -1.523
86 H CYS 16 H CYS 16 -2.847 8.306 -2.026
87 HA CYS 16 HA CYS 16 -3.624 10.954 -3.059
88 HB2 CYS 16 1HB CYS 16 -3.633 9.946 -5.336
89 HB3 CYS 16 2HB CYS 16 -2.031 9.999 -4.606
90 H GLY 17 H GLY 17 -4.509 7.613 -2.472
91 HA2 GLY 17 1HA GLY 17 -6.788 7.230 -1.664
92 HA3 GLY 17 2HA GLY 17 -7.334 8.380 -2.876
93 H LYS 18 H LYS 18 -4.853 6.198 -3.813
94 HA LYS 18 HA LYS 18 -6.507 5.044 -5.835
95 HB2 LYS 18 1HB LYS 18 -3.659 4.823 -5.004
96 HB3 LYS 18 2HB LYS 18 -4.326 3.501 -5.954
97 HG2 LYS 18 1HG LYS 18 -5.117 5.328 -7.572
98 HG3 LYS 18 2HG LYS 18 -3.983 6.376 -6.717
99 HD2 LYS 18 1HD LYS 18 -2.717 5.556 -8.489
100 HD3 LYS 18 2HD LYS 18 -2.268 4.495 -7.151
101 HE2 LYS 18 1HE LYS 18 -2.643 3.128 -9.071
102 HE3 LYS 18 2HE LYS 18 -3.991 2.877 -7.962
103 HZ1 LYS 18 3HZ LYS 18 -5.135 3.181 -9.879
104 HZ2 LYS 18 1HZ LYS 18 -3.953 4.168 -10.581
105 HZ3 LYS 18 2HZ LYS 18 -5.008 4.805 -9.423
106 H ALA 19 H ALA 19 -6.247 2.522 -6.130
107 HA ALA 19 HA ALA 19 -6.710 1.160 -3.574
108 HB1 ALA 19 3HB ALA 19 -8.701 0.073 -4.388
109 HB2 ALA 19 1HB ALA 19 -8.901 1.821 -4.509
110 HB3 ALA 19 2HB ALA 19 -8.541 0.872 -5.952
111 H PHE 20 H PHE 20 -6.440 -1.138 -3.656
112 HA PHE 20 HA PHE 20 -5.396 -2.332 -6.076
113 HB2 PHE 20 1HB PHE 20 -3.652 -2.138 -3.612
114 HB3 PHE 20 2HB PHE 20 -3.253 -2.983 -5.104
115 HD1 PHE 20 HD1 PHE 20 -3.920 0.360 -3.667
116 HD2 PHE 20 HD2 PHE 20 -2.269 -1.854 -6.906
117 HE1 PHE 20 HE1 PHE 20 -2.907 2.419 -4.554
118 HE2 PHE 20 HE2 PHE 20 -1.253 0.201 -7.798
119 HZ PHE 20 HZ PHE 20 -1.570 2.341 -6.621
120 H GLY 21 H GLY 21 -6.152 -4.339 -6.191
121 HA2 GLY 21 1HA GLY 21 -7.646 -5.540 -4.141
122 HA3 GLY 21 2HA GLY 21 -7.062 -6.356 -5.584
123 H LEU 22 H LEU 22 -4.248 -5.547 -4.739
124 HA LEU 22 HA LEU 22 -3.889 -7.734 -2.802
125 HB2 LEU 22 1HB LEU 22 -2.347 -6.815 -5.160
126 HB3 LEU 22 2HB LEU 22 -1.429 -7.438 -3.790
127 HG LEU 22 HG LEU 22 -3.405 -8.888 -5.531
128 HD11 LEU 22 1HD1 LEU 22 -1.294 -10.495 -5.321
129 HD12 LEU 22 2HD1 LEU 22 -0.485 -8.954 -5.039
130 HD13 LEU 22 3HD1 LEU 22 -1.394 -9.213 -6.528
131 HD21 LEU 22 3HD2 LEU 22 -2.575 -10.769 -3.773
132 HD22 LEU 22 1HD2 LEU 22 -4.105 -9.901 -3.648
133 HD23 LEU 22 2HD2 LEU 22 -2.709 -9.365 -2.713
134 H LYS 23 H LYS 23 -1.883 -7.504 -1.431
135 HA LYS 23 HA LYS 23 -1.916 -4.862 -0.211
136 HB2 LYS 23 1HB LYS 23 -2.153 -6.686 1.318
137 HB3 LYS 23 2HB LYS 23 -0.750 -7.509 0.649
138 HG2 LYS 23 1HG LYS 23 0.187 -6.638 2.522
139 HG3 LYS 23 2HG LYS 23 0.469 -5.293 1.414
140 HD2 LYS 23 1HD LYS 23 -1.710 -4.319 2.227
141 HD3 LYS 23 2HD LYS 23 -1.708 -5.562 3.480
142 HE2 LYS 23 1HE LYS 23 0.701 -4.662 3.951
143 HE3 LYS 23 2HE LYS 23 0.116 -3.224 3.115
144 HZ1 LYS 23 3HZ LYS 23 -1.030 -2.617 4.898
145 HZ2 LYS 23 1HZ LYS 23 -0.254 -3.848 5.762
146 HZ3 LYS 23 2HZ LYS 23 -1.761 -4.135 5.049
147 H SER 24 H SER 24 0.215 -6.939 -2.028
148 HA SER 24 HA SER 24 2.573 -5.368 -1.509
149 HB2 SER 24 1HB SER 24 2.562 -7.851 -2.036
150 HB3 SER 24 2HB SER 24 2.200 -7.411 -3.705
151 HG SER 24 HG SER 24 4.191 -5.937 -3.232
152 H GLN 25 H GLN 25 0.067 -5.501 -3.930
153 HA GLN 25 HA GLN 25 1.370 -4.042 -5.961
154 HB2 GLN 25 1HB GLN 25 -1.496 -4.617 -5.300
155 HB3 GLN 25 2HB GLN 25 -1.107 -3.463 -6.568
156 HG2 GLN 25 1HG GLN 25 0.442 -5.443 -7.388
157 HG3 GLN 25 2HG GLN 25 -0.736 -6.401 -6.493
158 HE21 GLN 25 1HE2 GLN 25 -2.908 -6.379 -7.157
159 HE22 GLN 25 2HE2 GLN 25 -3.355 -5.908 -8.758
160 H LEU 26 H LEU 26 -0.363 -3.076 -3.081
161 HA LEU 26 HA LEU 26 -0.521 -0.301 -3.822
162 HB2 LEU 26 1HB LEU 26 -2.220 -1.064 -2.384
163 HB3 LEU 26 2HB LEU 26 -1.064 -1.828 -1.295
164 HG LEU 26 HG LEU 26 -0.279 0.470 -0.665
165 HD11 LEU 26 1HD1 LEU 26 -1.506 1.355 -2.854
166 HD12 LEU 26 2HD1 LEU 26 -1.247 2.369 -1.435
167 HD13 LEU 26 3HD1 LEU 26 -2.813 1.601 -1.696
168 HD21 LEU 26 3HD2 LEU 26 -3.087 0.605 0.068
169 HD22 LEU 26 1HD2 LEU 26 -1.664 0.348 1.077
170 HD23 LEU 26 2HD2 LEU 26 -2.416 -1.016 0.251
171 H ILE 27 H ILE 27 1.328 -2.120 -1.375
172 HA ILE 27 HA ILE 27 2.860 -0.121 -0.315
173 HB ILE 27 HB ILE 27 3.787 -2.915 -0.989
174 HG12 ILE 27 1HG1 ILE 27 2.818 -1.883 1.673
175 HG13 ILE 27 2HG1 ILE 27 1.719 -2.584 0.489
176 HG21 ILE 27 1HG2 ILE 27 5.055 -0.672 0.469
177 HG22 ILE 27 2HG2 ILE 27 5.217 -2.282 1.170
178 HG23 ILE 27 3HG2 ILE 27 5.786 -1.973 -0.471
179 HD11 ILE 27 3HD1 ILE 27 4.137 -4.046 1.493
180 HD12 ILE 27 1HD1 ILE 27 2.577 -4.111 2.313
181 HD13 ILE 27 2HD1 ILE 27 2.727 -4.695 0.656
182 H ILE 28 H ILE 28 3.480 -1.910 -3.313
183 HA ILE 28 HA ILE 28 5.950 -0.681 -3.911
184 HB ILE 28 HB ILE 28 3.929 -1.957 -5.756
185 HG12 ILE 28 1HG1 ILE 28 6.543 -3.078 -4.746
186 HG13 ILE 28 2HG1 ILE 28 5.009 -3.358 -3.930
187 HG21 ILE 28 1HG2 ILE 28 5.496 -0.343 -6.865
188 HG22 ILE 28 2HG2 ILE 28 6.824 -1.378 -6.341
189 HG23 ILE 28 3HG2 ILE 28 5.602 -2.004 -7.448
190 HD11 ILE 28 3HD1 ILE 28 5.306 -5.246 -5.242
191 HD12 ILE 28 1HD1 ILE 28 4.201 -4.252 -6.190
192 HD13 ILE 28 2HD1 ILE 28 5.912 -4.318 -6.613
193 H HIS 29 H HIS 29 2.622 0.216 -4.553
194 HA HIS 29 HA HIS 29 3.245 2.304 -6.403
195 HB2 HIS 29 1HB HIS 29 1.070 1.506 -6.645
196 HB3 HIS 29 2HB HIS 29 0.785 1.463 -4.907
197 HD1 HIS 29 HD1 HIS 29 1.088 3.957 -7.740
198 HD2 HIS 29 HD2 HIS 29 -0.455 3.677 -3.893
199 HE1 HIS 29 HE1 HIS 29 -0.216 6.077 -7.383
200 H GLN 30 H GLN 30 2.437 2.202 -2.950
201 HA GLN 30 HA GLN 30 2.337 4.909 -2.411
202 HB2 GLN 30 1HB GLN 30 3.299 2.602 -0.726
203 HB3 GLN 30 2HB GLN 30 3.169 4.240 -0.098
204 HG2 GLN 30 1HG GLN 30 0.756 4.207 -0.751
205 HG3 GLN 30 2HG GLN 30 0.950 2.497 -1.131
206 HE21 GLN 30 1HE2 GLN 30 -0.880 3.314 0.725
207 HE22 GLN 30 2HE2 GLN 30 -0.376 2.818 2.301
208 H ARG 31 H ARG 31 5.012 3.048 -3.399
209 HA ARG 31 HA ARG 31 7.115 4.492 -2.189
210 HB2 ARG 31 1HB ARG 31 7.135 3.003 -4.821
211 HB3 ARG 31 2HB ARG 31 8.547 3.467 -3.881
212 HG2 ARG 31 1HG ARG 31 7.863 1.987 -2.081
213 HG3 ARG 31 2HG ARG 31 6.406 1.552 -2.977
214 HD2 ARG 31 1HD ARG 31 9.256 0.836 -3.522
215 HD3 ARG 31 2HD ARG 31 7.834 -0.205 -3.458
216 HE ARG 31 HE ARG 31 7.376 0.314 -5.661
217 HH11 ARG 31 1HH1 ARG 31 9.949 2.325 -4.456
218 HH12 ARG 31 2HH1 ARG 31 10.389 2.925 -6.021
219 HH21 ARG 31 1HH2 ARG 31 7.945 1.097 -7.727
220 HH22 ARG 31 2HH2 ARG 31 9.248 2.226 -7.880
221 H THR 32 H THR 32 5.633 4.758 -5.414
222 HA THR 32 HA THR 32 7.147 6.763 -6.505
223 HB THR 32 HB THR 32 5.226 5.553 -7.612
224 HG1 THR 32 HG1 THR 32 5.869 8.251 -7.854
225 HG21 THR 32 3HG2 THR 32 3.044 6.082 -7.222
226 HG22 THR 32 1HG2 THR 32 3.413 7.747 -6.772
227 HG23 THR 32 2HG2 THR 32 3.687 6.441 -5.619
228 H HIS 33 H HIS 33 4.854 6.994 -3.914
229 HA HIS 33 HA HIS 33 4.501 9.830 -4.043
230 HB2 HIS 33 1HB HIS 33 3.875 7.740 -1.969
231 HB3 HIS 33 2HB HIS 33 3.638 9.455 -1.644
232 HD1 HIS 33 HD1 HIS 33 2.326 10.474 -4.121
233 HD2 HIS 33 HD2 HIS 33 1.418 6.758 -2.498
234 HE1 HIS 33 HE1 HIS 33 0.035 9.903 -4.988
235 H THR 34 H THR 34 6.404 7.671 -1.953
236 HA THR 34 HA THR 34 7.724 9.905 -0.678
237 HB THR 34 HB THR 34 8.984 8.213 0.569
238 HG1 THR 34 HG1 THR 34 7.562 6.320 -1.023
239 HG21 THR 34 3HG2 THR 34 7.259 7.791 1.957
240 HG22 THR 34 1HG2 THR 34 6.312 6.998 0.699
241 HG23 THR 34 2HG2 THR 34 6.327 8.758 0.814
242 H GLY 35 H GLY 35 9.025 10.998 -2.070
243 HA2 GLY 35 1HA GLY 35 11.592 10.223 -2.594
244 HA3 GLY 35 2HA GLY 35 10.689 9.658 -3.992
245 H GLU 36 H GLU 36 10.138 11.075 -5.564
246 HA GLU 36 HA GLU 36 11.118 13.817 -5.236
247 HB2 GLU 36 1HB GLU 36 10.711 12.005 -7.571
248 HB3 GLU 36 2HB GLU 36 10.606 13.740 -7.837
249 HG2 GLU 36 1HG GLU 36 12.955 12.275 -6.654
250 HG3 GLU 36 2HG GLU 36 12.839 12.897 -8.300
251 H SER 37 H SER 37 9.844 15.501 -6.509
252 HA SER 37 HA SER 37 7.495 16.124 -5.386
253 HB2 SER 37 1HB SER 37 8.754 17.507 -7.075
254 HB3 SER 37 2HB SER 37 7.972 16.562 -8.341
255 HG SER 37 HG SER 37 5.963 17.252 -7.060
256 H GLY 38 H GLY 38 5.399 15.530 -5.433
257 HA2 GLY 38 1HA GLY 38 4.603 13.519 -7.446
258 HA3 GLY 38 2HA GLY 38 4.190 13.339 -5.747
259 HA PRO 39 HA PRO 39 0.565 15.314 -7.782
260 HB2 PRO 39 1HB PRO 39 -1.271 13.913 -6.356
261 HB3 PRO 39 2HB PRO 39 -0.530 13.295 -7.837
262 HG2 PRO 39 1HG PRO 39 0.155 12.697 -4.985
263 HG3 PRO 39 2HG PRO 39 0.029 11.587 -6.362
264 HD2 PRO 39 1HD PRO 39 2.405 12.500 -5.439
265 HD3 PRO 39 2HD PRO 39 2.124 12.130 -7.152
266 H SER 40 H SER 40 0.632 17.335 -6.915
267 HA SER 40 HA SER 40 -0.026 17.625 -4.061
268 HB2 SER 40 1HB SER 40 1.549 19.335 -5.967
269 HB3 SER 40 2HB SER 40 0.846 20.034 -4.508
270 HG SER 40 HG SER 40 2.644 19.334 -3.652
271 H SER 41 H SER 41 -2.127 17.051 -5.720
272 HA SER 41 HA SER 41 -3.413 19.512 -6.540
273 HB2 SER 41 1HB SER 41 -4.491 16.682 -6.478
274 HB3 SER 41 2HB SER 41 -5.254 18.063 -7.266
275 HG SER 41 HG SER 41 -2.834 16.767 -7.946
276 H GLY 42 H GLY 42 -5.771 19.812 -5.848
277 HA2 GLY 42 1HA GLY 42 -7.030 20.622 -4.078
278 HA3 GLY 42 2HA GLY 42 -7.018 18.921 -3.635
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -15.059 -3.470 -18.818
2 HA2 GLY 1 1HA GLY 1 -15.437 -5.503 -17.810
3 HA3 GLY 1 2HA GLY 1 -17.107 -4.961 -17.740
4 H SER 2 H SER 2 -14.760 -6.479 -19.934
5 HA SER 2 HA SER 2 -16.799 -7.553 -21.636
6 HB2 SER 2 1HB SER 2 -13.846 -8.190 -21.432
7 HB3 SER 2 2HB SER 2 -14.918 -8.785 -22.700
8 HG SER 2 HG SER 2 -13.949 -6.197 -22.247
9 H SER 3 H SER 3 -14.536 -8.989 -19.292
10 HA SER 3 HA SER 3 -16.251 -11.379 -19.212
11 HB2 SER 3 1HB SER 3 -13.318 -10.963 -18.700
12 HB3 SER 3 2HB SER 3 -14.155 -12.365 -18.034
13 HG SER 3 HG SER 3 -14.174 -11.655 -20.781
14 H GLY 4 H GLY 4 -14.282 -9.302 -17.085
15 HA2 GLY 4 1HA GLY 4 -15.904 -8.506 -15.182
16 HA3 GLY 4 2HA GLY 4 -15.850 -10.218 -14.786
17 H SER 5 H SER 5 -14.390 -10.806 -13.334
18 HA SER 5 HA SER 5 -12.638 -10.716 -11.882
19 HB2 SER 5 1HB SER 5 -11.417 -9.701 -14.437
20 HB3 SER 5 2HB SER 5 -10.457 -9.812 -12.961
21 HG SER 5 HG SER 5 -10.821 -12.008 -12.910
22 H SER 6 H SER 6 -14.468 -8.611 -11.648
23 HA SER 6 HA SER 6 -13.002 -6.137 -11.370
24 HB2 SER 6 1HB SER 6 -15.102 -5.168 -10.686
25 HB3 SER 6 2HB SER 6 -15.414 -6.230 -12.059
26 HG SER 6 HG SER 6 -16.073 -7.832 -10.540
27 H GLY 7 H GLY 7 -14.781 -8.260 -9.115
28 HA2 GLY 7 1HA GLY 7 -14.569 -8.560 -6.846
29 HA3 GLY 7 2HA GLY 7 -12.843 -8.442 -7.158
30 H GLU 8 H GLU 8 -12.753 -7.493 -5.006
31 HA GLU 8 HA GLU 8 -13.254 -4.601 -5.125
32 HB2 GLU 8 1HB GLU 8 -14.926 -6.004 -3.692
33 HB3 GLU 8 2HB GLU 8 -13.598 -6.086 -2.543
34 HG2 GLU 8 1HG GLU 8 -14.405 -3.434 -3.622
35 HG3 GLU 8 2HG GLU 8 -15.404 -4.201 -2.389
36 H LYS 9 H LYS 9 -11.674 -3.327 -4.272
37 HA LYS 9 HA LYS 9 -9.226 -4.706 -3.430
38 HB2 LYS 9 1HB LYS 9 -9.579 -1.835 -4.308
39 HB3 LYS 9 2HB LYS 9 -8.053 -2.661 -4.024
40 HG2 LYS 9 1HG LYS 9 -8.258 -3.961 -5.945
41 HG3 LYS 9 2HG LYS 9 -9.992 -3.659 -6.076
42 HD2 LYS 9 1HD LYS 9 -8.059 -1.385 -6.271
43 HD3 LYS 9 2HD LYS 9 -8.336 -2.428 -7.667
44 HE2 LYS 9 1HE LYS 9 -10.797 -1.983 -7.367
45 HE3 LYS 9 2HE LYS 9 -10.354 -0.760 -6.177
46 HZ1 LYS 9 3HZ LYS 9 -10.683 0.275 -8.296
47 HZ2 LYS 9 1HZ LYS 9 -9.601 -0.787 -9.048
48 HZ3 LYS 9 2HZ LYS 9 -9.034 0.340 -7.922
49 HA PRO 10 HA PRO 10 -10.534 -3.217 0.649
50 HB2 PRO 10 1HB PRO 10 -8.936 -4.934 2.017
51 HB3 PRO 10 2HB PRO 10 -10.511 -5.401 1.362
52 HG2 PRO 10 1HG PRO 10 -7.776 -5.875 0.240
53 HG3 PRO 10 2HG PRO 10 -9.156 -6.985 0.331
54 HD2 PRO 10 1HD PRO 10 -8.500 -5.660 -1.937
55 HD3 PRO 10 2HD PRO 10 -10.177 -6.068 -1.522
56 H TYR 11 H TYR 11 -7.591 -3.137 -1.032
57 HA TYR 11 HA TYR 11 -6.264 -1.628 1.114
58 HB2 TYR 11 1HB TYR 11 -5.037 -2.738 -1.416
59 HB3 TYR 11 2HB TYR 11 -4.180 -2.035 -0.048
60 HD1 TYR 11 HD1 TYR 11 -6.154 -4.945 -1.175
61 HD2 TYR 11 HD2 TYR 11 -3.689 -3.328 1.894
62 HE1 TYR 11 HE1 TYR 11 -5.975 -7.174 -0.152
63 HE2 TYR 11 HE2 TYR 11 -3.503 -5.554 2.924
64 HH TYR 11 HH TYR 11 -4.381 -8.387 1.353
65 H GLU 12 H GLU 12 -6.103 0.507 0.959
66 HA GLU 12 HA GLU 12 -6.236 1.757 -1.696
67 HB2 GLU 12 1HB GLU 12 -8.001 2.226 0.653
68 HB3 GLU 12 2HB GLU 12 -7.518 3.629 -0.290
69 HG2 GLU 12 1HG GLU 12 -9.445 3.075 -1.360
70 HG3 GLU 12 2HG GLU 12 -8.291 2.137 -2.307
71 H CYS 13 H CYS 13 -4.928 3.501 -1.996
72 HA CYS 13 HA CYS 13 -2.779 3.871 -0.161
73 HB2 CYS 13 1HB CYS 13 -2.618 4.072 -2.669
74 HB3 CYS 13 2HB CYS 13 -3.470 5.607 -2.536
75 H THR 14 H THR 14 -2.665 5.196 1.519
76 HA THR 14 HA THR 14 -4.791 7.129 1.966
77 HB THR 14 HB THR 14 -3.650 7.439 4.200
78 HG1 THR 14 HG1 THR 14 -2.160 5.639 4.681
79 HG21 THR 14 3HG2 THR 14 -5.216 5.974 4.802
80 HG22 THR 14 1HG2 THR 14 -4.080 4.666 4.472
81 HG23 THR 14 2HG2 THR 14 -5.175 5.224 3.207
82 H ASP 15 H ASP 15 -2.678 7.562 -0.083
83 HA ASP 15 HA ASP 15 -1.606 10.099 0.968
84 HB2 ASP 15 1HB ASP 15 -0.337 7.969 -0.675
85 HB3 ASP 15 2HB ASP 15 0.076 9.637 -1.063
86 H CYS 16 H CYS 16 -2.984 8.408 -1.796
87 HA CYS 16 HA CYS 16 -3.663 11.026 -2.966
88 HB2 CYS 16 1HB CYS 16 -3.499 9.986 -5.198
89 HB3 CYS 16 2HB CYS 16 -1.962 9.948 -4.340
90 H GLY 17 H GLY 17 -4.604 7.652 -2.515
91 HA2 GLY 17 1HA GLY 17 -6.940 7.313 -1.793
92 HA3 GLY 17 2HA GLY 17 -7.397 8.465 -3.039
93 H LYS 18 H LYS 18 -4.899 6.174 -3.722
94 HA LYS 18 HA LYS 18 -6.466 5.037 -5.851
95 HB2 LYS 18 1HB LYS 18 -3.871 5.531 -5.696
96 HB3 LYS 18 2HB LYS 18 -3.827 3.902 -5.035
97 HG2 LYS 18 1HG LYS 18 -4.394 2.930 -7.013
98 HG3 LYS 18 2HG LYS 18 -5.317 4.330 -7.565
99 HD2 LYS 18 1HD LYS 18 -2.364 4.583 -7.231
100 HD3 LYS 18 2HD LYS 18 -2.994 3.732 -8.643
101 HE2 LYS 18 1HE LYS 18 -3.685 6.548 -7.807
102 HE3 LYS 18 2HE LYS 18 -2.612 6.093 -9.131
103 HZ1 LYS 18 3HZ LYS 18 -4.459 6.265 -10.357
104 HZ2 LYS 18 1HZ LYS 18 -5.498 6.133 -9.028
105 HZ3 LYS 18 2HZ LYS 18 -4.850 4.741 -9.736
106 H ALA 19 H ALA 19 -6.107 2.506 -6.112
107 HA ALA 19 HA ALA 19 -6.602 1.144 -3.568
108 HB1 ALA 19 3HB ALA 19 -8.405 0.548 -5.877
109 HB2 ALA 19 1HB ALA 19 -8.650 0.246 -4.156
110 HB3 ALA 19 2HB ALA 19 -8.765 1.889 -4.789
111 H PHE 20 H PHE 20 -6.406 -1.188 -3.708
112 HA PHE 20 HA PHE 20 -5.319 -2.345 -6.118
113 HB2 PHE 20 1HB PHE 20 -3.586 -2.212 -3.642
114 HB3 PHE 20 2HB PHE 20 -3.177 -2.991 -5.167
115 HD1 PHE 20 HD1 PHE 20 -3.761 0.259 -3.529
116 HD2 PHE 20 HD2 PHE 20 -2.303 -1.756 -6.983
117 HE1 PHE 20 HE1 PHE 20 -2.757 2.359 -4.326
118 HE2 PHE 20 HE2 PHE 20 -1.296 0.341 -7.785
119 HZ PHE 20 HZ PHE 20 -1.521 2.402 -6.456
120 H GLY 21 H GLY 21 -6.106 -4.336 -6.259
121 HA2 GLY 21 1HA GLY 21 -7.589 -5.561 -4.213
122 HA3 GLY 21 2HA GLY 21 -7.032 -6.354 -5.678
123 H LEU 22 H LEU 22 -4.222 -5.425 -4.667
124 HA LEU 22 HA LEU 22 -3.850 -7.709 -2.843
125 HB2 LEU 22 1HB LEU 22 -2.313 -6.752 -5.190
126 HB3 LEU 22 2HB LEU 22 -1.392 -7.398 -3.833
127 HG LEU 22 HG LEU 22 -3.374 -8.819 -5.591
128 HD11 LEU 22 1HD1 LEU 22 -0.452 -8.902 -5.104
129 HD12 LEU 22 2HD1 LEU 22 -1.362 -9.119 -6.599
130 HD13 LEU 22 3HD1 LEU 22 -1.270 -10.432 -5.424
131 HD21 LEU 22 3HD2 LEU 22 -2.670 -9.341 -2.785
132 HD22 LEU 22 1HD2 LEU 22 -2.536 -10.728 -3.866
133 HD23 LEU 22 2HD2 LEU 22 -4.068 -9.865 -3.725
134 H LYS 23 H LYS 23 -1.809 -7.498 -1.498
135 HA LYS 23 HA LYS 23 -1.851 -4.883 -0.220
136 HB2 LYS 23 1HB LYS 23 -2.065 -6.737 1.275
137 HB3 LYS 23 2HB LYS 23 -0.665 -7.541 0.577
138 HG2 LYS 23 1HG LYS 23 0.291 -6.703 2.454
139 HG3 LYS 23 2HG LYS 23 0.548 -5.331 1.375
140 HD2 LYS 23 1HD LYS 23 -1.646 -4.410 2.237
141 HD3 LYS 23 2HD LYS 23 -1.584 -5.667 3.475
142 HE2 LYS 23 1HE LYS 23 0.771 -3.877 3.066
143 HE3 LYS 23 2HE LYS 23 -0.627 -3.282 3.959
144 HZ1 LYS 23 3HZ LYS 23 -0.410 -5.247 5.418
145 HZ2 LYS 23 1HZ LYS 23 0.928 -4.215 5.490
146 HZ3 LYS 23 2HZ LYS 23 1.021 -5.661 4.616
147 H SER 24 H SER 24 0.275 -6.915 -2.094
148 HA SER 24 HA SER 24 2.630 -5.343 -1.565
149 HB2 SER 24 1HB SER 24 2.985 -7.661 -2.043
150 HB3 SER 24 2HB SER 24 2.041 -7.564 -3.530
151 HG SER 24 HG SER 24 4.568 -6.394 -2.998
152 H GLN 25 H GLN 25 0.125 -5.470 -3.997
153 HA GLN 25 HA GLN 25 1.387 -3.968 -6.007
154 HB2 GLN 25 1HB GLN 25 -1.473 -4.518 -5.300
155 HB3 GLN 25 2HB GLN 25 -1.090 -3.359 -6.565
156 HG2 GLN 25 1HG GLN 25 0.419 -5.354 -7.426
157 HG3 GLN 25 2HG GLN 25 -0.759 -6.302 -6.521
158 HE21 GLN 25 1HE2 GLN 25 -3.066 -5.789 -7.004
159 HE22 GLN 25 2HE2 GLN 25 -3.482 -5.474 -8.651
160 H LEU 26 H LEU 26 -0.283 -3.031 -3.080
161 HA LEU 26 HA LEU 26 -0.419 -0.242 -3.777
162 HB2 LEU 26 1HB LEU 26 -2.112 -1.015 -2.334
163 HB3 LEU 26 2HB LEU 26 -0.950 -1.798 -1.264
164 HG LEU 26 HG LEU 26 -0.143 0.488 -0.619
165 HD11 LEU 26 1HD1 LEU 26 -2.127 2.198 -1.067
166 HD12 LEU 26 2HD1 LEU 26 -2.285 1.224 -2.529
167 HD13 LEU 26 3HD1 LEU 26 -0.758 2.030 -2.166
168 HD21 LEU 26 3HD2 LEU 26 -1.427 0.026 1.132
169 HD22 LEU 26 1HD2 LEU 26 -2.553 -0.884 0.125
170 HD23 LEU 26 2HD2 LEU 26 -2.757 0.857 0.324
171 H ILE 27 H ILE 27 1.464 -2.155 -1.435
172 HA ILE 27 HA ILE 27 3.022 -0.202 -0.321
173 HB ILE 27 HB ILE 27 3.915 -2.973 -1.121
174 HG12 ILE 27 1HG1 ILE 27 2.995 -2.008 1.586
175 HG13 ILE 27 2HG1 ILE 27 1.895 -2.719 0.410
176 HG21 ILE 27 1HG2 ILE 27 5.295 -2.181 1.158
177 HG22 ILE 27 2HG2 ILE 27 5.945 -2.336 -0.474
178 HG23 ILE 27 3HG2 ILE 27 5.345 -0.777 0.092
179 HD11 ILE 27 3HD1 ILE 27 2.826 -4.241 2.212
180 HD12 ILE 27 1HD1 ILE 27 2.932 -4.811 0.546
181 HD13 ILE 27 2HD1 ILE 27 4.358 -4.147 1.344
182 H ILE 28 H ILE 28 3.628 -1.914 -3.373
183 HA ILE 28 HA ILE 28 6.069 -0.641 -3.972
184 HB ILE 28 HB ILE 28 4.038 -1.863 -5.844
185 HG12 ILE 28 1HG1 ILE 28 6.649 -3.093 -5.017
186 HG13 ILE 28 2HG1 ILE 28 5.233 -3.247 -3.982
187 HG21 ILE 28 1HG2 ILE 28 5.304 -0.593 -7.285
188 HG22 ILE 28 2HG2 ILE 28 6.755 -0.719 -6.292
189 HG23 ILE 28 3HG2 ILE 28 6.224 -2.097 -7.257
190 HD11 ILE 28 3HD1 ILE 28 5.605 -5.167 -5.502
191 HD12 ILE 28 1HD1 ILE 28 4.031 -4.397 -5.694
192 HD13 ILE 28 2HD1 ILE 28 5.312 -4.089 -6.867
193 H HIS 29 H HIS 29 2.748 0.314 -4.402
194 HA HIS 29 HA HIS 29 3.280 2.412 -6.276
195 HB2 HIS 29 1HB HIS 29 1.080 1.598 -6.355
196 HB3 HIS 29 2HB HIS 29 0.904 1.638 -4.603
197 HD1 HIS 29 HD1 HIS 29 0.952 3.931 -7.597
198 HD2 HIS 29 HD2 HIS 29 -0.091 3.991 -3.576
199 HE1 HIS 29 HE1 HIS 29 -0.247 6.113 -7.246
200 H GLN 30 H GLN 30 2.662 2.285 -2.782
201 HA GLN 30 HA GLN 30 2.677 4.996 -2.225
202 HB2 GLN 30 1HB GLN 30 3.554 2.612 -0.613
203 HB3 GLN 30 2HB GLN 30 3.629 4.242 0.045
204 HG2 GLN 30 1HG GLN 30 1.174 4.441 -0.513
205 HG3 GLN 30 2HG GLN 30 1.200 2.706 -0.822
206 HE21 GLN 30 1HE2 GLN 30 0.164 1.803 0.817
207 HE22 GLN 30 2HE2 GLN 30 0.481 2.089 2.491
208 H ARG 31 H ARG 31 5.228 3.053 -3.351
209 HA ARG 31 HA ARG 31 7.440 4.384 -2.209
210 HB2 ARG 31 1HB ARG 31 7.234 2.910 -4.842
211 HB3 ARG 31 2HB ARG 31 8.735 3.372 -4.051
212 HG2 ARG 31 1HG ARG 31 7.943 1.981 -2.077
213 HG3 ARG 31 2HG ARG 31 6.716 1.338 -3.171
214 HD2 ARG 31 1HD ARG 31 8.572 -0.165 -3.186
215 HD3 ARG 31 2HD ARG 31 8.554 0.688 -4.729
216 HE ARG 31 HE ARG 31 10.602 1.542 -4.213
217 HH11 ARG 31 1HH1 ARG 31 9.059 0.507 -1.269
218 HH12 ARG 31 2HH1 ARG 31 10.444 0.825 -0.277
219 HH21 ARG 31 1HH2 ARG 31 12.432 1.965 -2.918
220 HH22 ARG 31 2HH2 ARG 31 12.361 1.655 -1.216
221 H THR 32 H THR 32 5.892 4.754 -5.397
222 HA THR 32 HA THR 32 7.449 6.787 -6.419
223 HB THR 32 HB THR 32 5.538 5.542 -7.569
224 HG1 THR 32 HG1 THR 32 5.683 8.372 -7.902
225 HG21 THR 32 3HG2 THR 32 3.354 6.241 -7.355
226 HG22 THR 32 1HG2 THR 32 3.809 7.841 -6.773
227 HG23 THR 32 2HG2 THR 32 3.926 6.447 -5.700
228 H HIS 33 H HIS 33 4.954 6.949 -3.985
229 HA HIS 33 HA HIS 33 4.588 9.769 -4.051
230 HB2 HIS 33 1HB HIS 33 3.892 7.594 -2.108
231 HB3 HIS 33 2HB HIS 33 3.713 9.280 -1.635
232 HD1 HIS 33 HD1 HIS 33 2.489 10.547 -4.058
233 HD2 HIS 33 HD2 HIS 33 1.392 6.771 -2.715
234 HE1 HIS 33 HE1 HIS 33 0.187 10.145 -4.987
235 H THR 34 H THR 34 6.293 7.680 -1.713
236 HA THR 34 HA THR 34 7.463 9.755 -0.241
237 HB THR 34 HB THR 34 9.103 8.038 0.529
238 HG1 THR 34 HG1 THR 34 9.006 6.894 -1.590
239 HG21 THR 34 3HG2 THR 34 6.573 8.302 1.259
240 HG22 THR 34 1HG2 THR 34 7.579 6.999 1.889
241 HG23 THR 34 2HG2 THR 34 6.452 6.684 0.569
242 H GLY 35 H GLY 35 8.184 8.583 -3.365
243 HA2 GLY 35 1HA GLY 35 10.917 9.643 -3.300
244 HA3 GLY 35 2HA GLY 35 10.212 8.683 -4.593
245 H GLU 36 H GLU 36 11.511 10.696 -5.545
246 HA GLU 36 HA GLU 36 10.113 13.175 -5.621
247 HB2 GLU 36 1HB GLU 36 12.539 12.979 -6.051
248 HB3 GLU 36 2HB GLU 36 12.193 12.093 -7.529
249 HG2 GLU 36 1HG GLU 36 12.749 14.506 -7.839
250 HG3 GLU 36 2HG GLU 36 11.221 13.992 -8.551
251 H SER 37 H SER 37 8.089 13.193 -6.395
252 HA SER 37 HA SER 37 7.375 11.599 -8.716
253 HB2 SER 37 1HB SER 37 5.941 12.105 -6.552
254 HB3 SER 37 2HB SER 37 5.484 13.546 -7.459
255 HG SER 37 HG SER 37 5.216 11.704 -9.196
256 H GLY 38 H GLY 38 6.295 12.540 -10.574
257 HA2 GLY 38 1HA GLY 38 7.723 14.502 -11.866
258 HA3 GLY 38 2HA GLY 38 6.067 14.076 -12.271
259 HA PRO 39 HA PRO 39 4.911 18.173 -11.178
260 HB2 PRO 39 1HB PRO 39 2.256 17.775 -10.772
261 HB3 PRO 39 2HB PRO 39 2.990 17.791 -12.380
262 HG2 PRO 39 1HG PRO 39 2.227 15.456 -10.669
263 HG3 PRO 39 2HG PRO 39 1.991 15.691 -12.411
264 HD2 PRO 39 1HD PRO 39 4.001 14.182 -11.402
265 HD3 PRO 39 2HD PRO 39 4.164 15.105 -12.911
266 H SER 40 H SER 40 5.047 15.639 -9.032
267 HA SER 40 HA SER 40 4.827 15.405 -6.772
268 HB2 SER 40 1HB SER 40 5.663 17.305 -5.453
269 HB3 SER 40 2HB SER 40 6.670 17.031 -6.875
270 HG SER 40 HG SER 40 4.793 19.081 -6.397
271 H SER 41 H SER 41 2.374 15.733 -8.034
272 HA SER 41 HA SER 41 0.752 17.734 -6.869
273 HB2 SER 41 1HB SER 41 0.169 15.125 -8.249
274 HB3 SER 41 2HB SER 41 -1.130 16.082 -7.537
275 HG SER 41 HG SER 41 -0.137 16.399 -9.896
276 H GLY 42 H GLY 42 1.104 17.773 -4.646
277 HA2 GLY 42 1HA GLY 42 0.097 17.282 -2.566
278 HA3 GLY 42 2HA GLY 42 -0.348 15.698 -3.182
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -12.444 4.093 -22.983
2 HA2 GLY 1 1HA GLY 1 -14.412 3.019 -22.423
3 HA3 GLY 1 2HA GLY 1 -13.426 1.583 -22.658
4 H SER 2 H SER 2 -12.161 0.851 -20.746
5 HA SER 2 HA SER 2 -12.310 -0.087 -18.662
6 HB2 SER 2 1HB SER 2 -12.694 2.845 -18.017
7 HB3 SER 2 2HB SER 2 -12.309 1.605 -16.824
8 HG SER 2 HG SER 2 -10.686 1.850 -19.094
9 H SER 3 H SER 3 -14.715 -0.336 -20.015
10 HA SER 3 HA SER 3 -16.738 0.195 -17.944
11 HB2 SER 3 1HB SER 3 -18.402 -0.166 -19.772
12 HB3 SER 3 2HB SER 3 -17.326 1.200 -20.067
13 HG SER 3 HG SER 3 -16.828 0.242 -21.858
14 H GLY 4 H GLY 4 -16.966 -1.507 -16.643
15 HA2 GLY 4 1HA GLY 4 -18.024 -3.943 -17.489
16 HA3 GLY 4 2HA GLY 4 -16.287 -4.164 -17.343
17 H SER 5 H SER 5 -18.103 -5.598 -15.801
18 HA SER 5 HA SER 5 -18.807 -4.617 -13.332
19 HB2 SER 5 1HB SER 5 -17.850 -7.358 -14.153
20 HB3 SER 5 2HB SER 5 -18.407 -7.010 -12.516
21 HG SER 5 HG SER 5 -20.300 -6.059 -13.870
22 H SER 6 H SER 6 -17.545 -3.388 -12.087
23 HA SER 6 HA SER 6 -14.746 -3.499 -11.964
24 HB2 SER 6 1HB SER 6 -16.807 -2.333 -10.093
25 HB3 SER 6 2HB SER 6 -15.075 -2.178 -9.802
26 HG SER 6 HG SER 6 -16.656 -0.803 -11.512
27 H GLY 7 H GLY 7 -13.517 -3.893 -9.872
28 HA2 GLY 7 1HA GLY 7 -14.391 -6.491 -8.781
29 HA3 GLY 7 2HA GLY 7 -12.716 -5.981 -8.937
30 H GLU 8 H GLU 8 -12.416 -6.506 -6.711
31 HA GLU 8 HA GLU 8 -13.410 -4.394 -4.921
32 HB2 GLU 8 1HB GLU 8 -13.756 -5.941 -3.145
33 HB3 GLU 8 2HB GLU 8 -14.571 -6.598 -4.557
34 HG2 GLU 8 1HG GLU 8 -11.898 -7.459 -3.477
35 HG3 GLU 8 2HG GLU 8 -13.416 -8.346 -3.356
36 H LYS 9 H LYS 9 -11.891 -3.395 -3.747
37 HA LYS 9 HA LYS 9 -9.268 -4.680 -3.437
38 HB2 LYS 9 1HB LYS 9 -9.631 -1.777 -4.191
39 HB3 LYS 9 2HB LYS 9 -8.111 -2.646 -4.026
40 HG2 LYS 9 1HG LYS 9 -8.461 -3.865 -5.992
41 HG3 LYS 9 2HG LYS 9 -10.180 -3.466 -6.035
42 HD2 LYS 9 1HD LYS 9 -9.652 -1.143 -6.519
43 HD3 LYS 9 2HD LYS 9 -7.925 -1.492 -6.401
44 HE2 LYS 9 1HE LYS 9 -8.437 -3.256 -8.247
45 HE3 LYS 9 2HE LYS 9 -9.884 -2.286 -8.517
46 HZ1 LYS 9 3HZ LYS 9 -8.018 -1.629 -9.944
47 HZ2 LYS 9 1HZ LYS 9 -7.108 -1.233 -8.573
48 HZ3 LYS 9 2HZ LYS 9 -8.516 -0.368 -8.932
49 HA PRO 10 HA PRO 10 -10.555 -3.306 0.693
50 HB2 PRO 10 1HB PRO 10 -8.958 -5.069 2.002
51 HB3 PRO 10 2HB PRO 10 -10.540 -5.509 1.346
52 HG2 PRO 10 1HG PRO 10 -7.816 -5.968 0.191
53 HG3 PRO 10 2HG PRO 10 -9.203 -7.072 0.261
54 HD2 PRO 10 1HD PRO 10 -8.553 -5.689 -1.974
55 HD3 PRO 10 2HD PRO 10 -10.230 -6.099 -1.558
56 H TYR 11 H TYR 11 -7.677 -3.107 -1.041
57 HA TYR 11 HA TYR 11 -6.338 -1.649 1.140
58 HB2 TYR 11 1HB TYR 11 -5.077 -2.832 -1.341
59 HB3 TYR 11 2HB TYR 11 -4.233 -2.088 0.012
60 HD1 TYR 11 HD1 TYR 11 -6.153 -5.038 -1.073
61 HD2 TYR 11 HD2 TYR 11 -3.826 -3.302 2.038
62 HE1 TYR 11 HE1 TYR 11 -5.998 -7.232 0.026
63 HE2 TYR 11 HE2 TYR 11 -3.663 -5.492 3.145
64 HH TYR 11 HH TYR 11 -5.595 -8.141 2.272
65 H GLU 12 H GLU 12 -5.872 0.459 0.895
66 HA GLU 12 HA GLU 12 -6.085 1.664 -1.768
67 HB2 GLU 12 1HB GLU 12 -7.734 2.309 0.634
68 HB3 GLU 12 2HB GLU 12 -7.251 3.627 -0.424
69 HG2 GLU 12 1HG GLU 12 -9.226 3.092 -1.390
70 HG3 GLU 12 2HG GLU 12 -8.174 1.997 -2.285
71 H CYS 13 H CYS 13 -4.909 3.585 -2.047
72 HA CYS 13 HA CYS 13 -2.650 3.837 -0.255
73 HB2 CYS 13 1HB CYS 13 -2.193 3.866 -2.626
74 HB3 CYS 13 2HB CYS 13 -3.325 5.192 -2.872
75 H THR 14 H THR 14 -2.784 5.077 1.486
76 HA THR 14 HA THR 14 -4.768 7.066 1.864
77 HB THR 14 HB THR 14 -3.500 7.652 3.922
78 HG1 THR 14 HG1 THR 14 -1.717 5.592 3.078
79 HG21 THR 14 3HG2 THR 14 -3.502 4.703 3.999
80 HG22 THR 14 1HG2 THR 14 -5.000 5.453 3.450
81 HG23 THR 14 2HG2 THR 14 -4.335 5.865 5.031
82 H ASP 15 H ASP 15 -1.699 7.109 0.360
83 HA ASP 15 HA ASP 15 -0.987 9.813 0.801
84 HB2 ASP 15 1HB ASP 15 0.378 7.780 -0.190
85 HB3 ASP 15 2HB ASP 15 -0.219 8.408 -1.724
86 H CYS 16 H CYS 16 -2.479 8.231 -2.027
87 HA CYS 16 HA CYS 16 -3.503 10.869 -2.845
88 HB2 CYS 16 1HB CYS 16 -3.623 9.964 -5.126
89 HB3 CYS 16 2HB CYS 16 -1.986 9.863 -4.485
90 H GLY 17 H GLY 17 -4.327 7.429 -2.589
91 HA2 GLY 17 1HA GLY 17 -6.540 7.027 -1.506
92 HA3 GLY 17 2HA GLY 17 -7.176 8.214 -2.635
93 H LYS 18 H LYS 18 -4.751 6.086 -3.816
94 HA LYS 18 HA LYS 18 -6.496 5.015 -5.792
95 HB2 LYS 18 1HB LYS 18 -3.631 4.692 -5.056
96 HB3 LYS 18 2HB LYS 18 -4.362 3.421 -6.028
97 HG2 LYS 18 1HG LYS 18 -5.128 5.264 -7.595
98 HG3 LYS 18 2HG LYS 18 -4.034 6.326 -6.707
99 HD2 LYS 18 1HD LYS 18 -2.150 5.237 -7.463
100 HD3 LYS 18 2HD LYS 18 -3.010 3.721 -7.743
101 HE2 LYS 18 1HE LYS 18 -4.280 5.194 -9.534
102 HE3 LYS 18 2HE LYS 18 -2.793 6.139 -9.463
103 HZ1 LYS 18 3HZ LYS 18 -1.634 3.910 -9.803
104 HZ2 LYS 18 1HZ LYS 18 -2.416 4.594 -11.138
105 HZ3 LYS 18 2HZ LYS 18 -3.146 3.326 -10.289
106 H ALA 19 H ALA 19 -6.313 2.498 -6.176
107 HA ALA 19 HA ALA 19 -6.792 1.088 -3.642
108 HB1 ALA 19 3HB ALA 19 -8.802 0.111 -4.401
109 HB2 ALA 19 1HB ALA 19 -8.939 1.834 -4.754
110 HB3 ALA 19 2HB ALA 19 -8.555 0.696 -6.046
111 H PHE 20 H PHE 20 -6.387 -1.147 -3.677
112 HA PHE 20 HA PHE 20 -5.353 -2.347 -6.112
113 HB2 PHE 20 1HB PHE 20 -3.640 -2.143 -3.627
114 HB3 PHE 20 2HB PHE 20 -3.216 -2.985 -5.115
115 HD1 PHE 20 HD1 PHE 20 -3.922 0.352 -3.683
116 HD2 PHE 20 HD2 PHE 20 -2.224 -1.847 -6.908
117 HE1 PHE 20 HE1 PHE 20 -2.914 2.419 -4.558
118 HE2 PHE 20 HE2 PHE 20 -1.213 0.216 -7.787
119 HZ PHE 20 HZ PHE 20 -1.557 2.353 -6.612
120 H GLY 21 H GLY 21 -6.158 -4.331 -6.241
121 HA2 GLY 21 1HA GLY 21 -7.641 -5.558 -4.210
122 HA3 GLY 21 2HA GLY 21 -7.038 -6.365 -5.649
123 H LEU 22 H LEU 22 -4.247 -5.473 -4.695
124 HA LEU 22 HA LEU 22 -3.890 -7.699 -2.801
125 HB2 LEU 22 1HB LEU 22 -2.326 -6.736 -5.122
126 HB3 LEU 22 2HB LEU 22 -1.413 -7.335 -3.739
127 HG LEU 22 HG LEU 22 -3.314 -8.834 -5.517
128 HD11 LEU 22 1HD1 LEU 22 -1.213 -10.401 -5.325
129 HD12 LEU 22 2HD1 LEU 22 -0.405 -8.894 -4.898
130 HD13 LEU 22 3HD1 LEU 22 -1.236 -9.040 -6.447
131 HD21 LEU 22 3HD2 LEU 22 -2.767 -10.761 -3.896
132 HD22 LEU 22 1HD2 LEU 22 -4.022 -9.608 -3.442
133 HD23 LEU 22 2HD2 LEU 22 -2.412 -9.481 -2.734
134 H LYS 23 H LYS 23 -1.897 -7.451 -1.400
135 HA LYS 23 HA LYS 23 -2.007 -4.830 -0.140
136 HB2 LYS 23 1HB LYS 23 -2.233 -6.667 1.368
137 HB3 LYS 23 2HB LYS 23 -0.819 -7.473 0.700
138 HG2 LYS 23 1HG LYS 23 0.116 -6.620 2.577
139 HG3 LYS 23 2HG LYS 23 0.364 -5.240 1.505
140 HD2 LYS 23 1HD LYS 23 -1.906 -4.412 2.355
141 HD3 LYS 23 2HD LYS 23 -1.722 -5.614 3.634
142 HE2 LYS 23 1HE LYS 23 0.451 -3.634 3.050
143 HE3 LYS 23 2HE LYS 23 -0.921 -3.198 4.068
144 HZ1 LYS 23 3HZ LYS 23 1.371 -4.721 4.728
145 HZ2 LYS 23 1HZ LYS 23 -0.023 -5.643 4.989
146 HZ3 LYS 23 2HZ LYS 23 0.150 -4.140 5.745
147 H SER 24 H SER 24 0.244 -6.893 -1.857
148 HA SER 24 HA SER 24 2.522 -5.214 -1.320
149 HB2 SER 24 1HB SER 24 2.013 -7.717 -2.846
150 HB3 SER 24 2HB SER 24 3.394 -6.740 -3.342
151 HG SER 24 HG SER 24 4.087 -6.819 -1.128
152 H GLN 25 H GLN 25 0.067 -5.465 -3.760
153 HA GLN 25 HA GLN 25 1.376 -4.088 -5.844
154 HB2 GLN 25 1HB GLN 25 -1.488 -4.648 -5.171
155 HB3 GLN 25 2HB GLN 25 -1.104 -3.534 -6.476
156 HG2 GLN 25 1HG GLN 25 0.459 -5.536 -7.223
157 HG3 GLN 25 2HG GLN 25 -0.725 -6.466 -6.306
158 HE21 GLN 25 1HE2 GLN 25 -2.410 -7.156 -7.399
159 HE22 GLN 25 2HE2 GLN 25 -3.032 -6.470 -8.857
160 H LEU 26 H LEU 26 -0.354 -3.009 -3.005
161 HA LEU 26 HA LEU 26 -0.489 -0.261 -3.867
162 HB2 LEU 26 1HB LEU 26 -2.237 -0.921 -2.454
163 HB3 LEU 26 2HB LEU 26 -1.139 -1.703 -1.319
164 HG LEU 26 HG LEU 26 -0.296 0.586 -0.713
165 HD11 LEU 26 1HD1 LEU 26 -1.355 1.517 -2.915
166 HD12 LEU 26 2HD1 LEU 26 -1.296 2.511 -1.460
167 HD13 LEU 26 3HD1 LEU 26 -2.793 1.693 -1.907
168 HD21 LEU 26 3HD2 LEU 26 -1.632 0.008 0.985
169 HD22 LEU 26 1HD2 LEU 26 -2.883 -0.619 -0.089
170 HD23 LEU 26 2HD2 LEU 26 -2.801 1.109 0.256
171 H ILE 27 H ILE 27 1.318 -2.049 -1.373
172 HA ILE 27 HA ILE 27 2.826 -0.021 -0.306
173 HB ILE 27 HB ILE 27 3.805 -2.814 -0.910
174 HG12 ILE 27 1HG1 ILE 27 2.675 -1.829 1.701
175 HG13 ILE 27 2HG1 ILE 27 1.635 -2.494 0.446
176 HG21 ILE 27 1HG2 ILE 27 5.658 -2.397 0.281
177 HG22 ILE 27 2HG2 ILE 27 5.301 -0.705 -0.061
178 HG23 ILE 27 3HG2 ILE 27 4.794 -1.422 1.469
179 HD11 ILE 27 3HD1 ILE 27 2.400 -4.066 2.280
180 HD12 ILE 27 1HD1 ILE 27 2.607 -4.616 0.617
181 HD13 ILE 27 2HD1 ILE 27 3.991 -4.001 1.521
182 H ILE 28 H ILE 28 3.503 -1.883 -3.247
183 HA ILE 28 HA ILE 28 5.986 -0.663 -3.821
184 HB ILE 28 HB ILE 28 4.026 -1.977 -5.706
185 HG12 ILE 28 1HG1 ILE 28 6.565 -3.189 -4.652
186 HG13 ILE 28 2HG1 ILE 28 5.078 -3.277 -3.714
187 HG21 ILE 28 1HG2 ILE 28 5.812 -0.394 -6.665
188 HG22 ILE 28 2HG2 ILE 28 6.963 -1.645 -6.197
189 HG23 ILE 28 3HG2 ILE 28 5.678 -2.014 -7.348
190 HD11 ILE 28 3HD1 ILE 28 4.448 -5.036 -4.885
191 HD12 ILE 28 1HD1 ILE 28 4.486 -4.077 -6.365
192 HD13 ILE 28 2HD1 ILE 28 5.931 -4.938 -5.835
193 H HIS 29 H HIS 29 2.670 0.192 -4.568
194 HA HIS 29 HA HIS 29 3.261 2.179 -6.508
195 HB2 HIS 29 1HB HIS 29 1.057 1.516 -6.642
196 HB3 HIS 29 2HB HIS 29 0.867 1.419 -4.894
197 HD1 HIS 29 HD1 HIS 29 1.157 4.053 -7.613
198 HD2 HIS 29 HD2 HIS 29 -0.386 3.563 -3.786
199 HE1 HIS 29 HE1 HIS 29 -0.119 6.165 -7.127
200 H GLN 30 H GLN 30 2.422 2.396 -3.053
201 HA GLN 30 HA GLN 30 2.483 5.098 -2.674
202 HB2 GLN 30 1HB GLN 30 3.305 2.807 -0.933
203 HB3 GLN 30 2HB GLN 30 3.564 4.453 -0.373
204 HG2 GLN 30 1HG GLN 30 1.068 4.787 -0.963
205 HG3 GLN 30 2HG GLN 30 0.999 3.026 -0.919
206 HE21 GLN 30 1HE2 GLN 30 0.143 2.402 0.923
207 HE22 GLN 30 2HE2 GLN 30 0.504 3.043 2.486
208 H ARG 31 H ARG 31 5.132 3.036 -3.461
209 HA ARG 31 HA ARG 31 7.305 4.468 -2.493
210 HB2 ARG 31 1HB ARG 31 7.070 2.916 -5.077
211 HB3 ARG 31 2HB ARG 31 8.584 3.439 -4.353
212 HG2 ARG 31 1HG ARG 31 7.779 2.114 -2.285
213 HG3 ARG 31 2HG ARG 31 6.674 1.340 -3.423
214 HD2 ARG 31 1HD ARG 31 8.527 -0.064 -3.438
215 HD3 ARG 31 2HD ARG 31 8.773 0.948 -4.860
216 HE ARG 31 HE ARG 31 10.061 2.147 -2.685
217 HH11 ARG 31 1HH1 ARG 31 10.311 -0.691 -4.685
218 HH12 ARG 31 2HH1 ARG 31 12.027 -0.834 -4.495
219 HH21 ARG 31 1HH2 ARG 31 12.320 1.970 -2.426
220 HH22 ARG 31 2HH2 ARG 31 13.169 0.680 -3.209
221 H THR 32 H THR 32 5.387 4.966 -5.409
222 HA THR 32 HA THR 32 6.991 6.869 -6.674
223 HB THR 32 HB THR 32 5.032 7.544 -7.914
224 HG1 THR 32 HG1 THR 32 3.656 7.533 -5.937
225 HG21 THR 32 3HG2 THR 32 5.309 5.615 -8.999
226 HG22 THR 32 1HG2 THR 32 4.065 4.917 -7.963
227 HG23 THR 32 2HG2 THR 32 5.765 4.784 -7.513
228 H HIS 33 H HIS 33 4.567 7.222 -4.137
229 HA HIS 33 HA HIS 33 4.549 10.068 -4.152
230 HB2 HIS 33 1HB HIS 33 3.674 8.045 -2.086
231 HB3 HIS 33 2HB HIS 33 3.462 9.782 -1.887
232 HD1 HIS 33 HD1 HIS 33 2.110 10.876 -4.104
233 HD2 HIS 33 HD2 HIS 33 1.486 6.883 -3.143
234 HE1 HIS 33 HE1 HIS 33 -0.064 10.252 -5.204
235 H THR 34 H THR 34 6.069 7.685 -1.986
236 HA THR 34 HA THR 34 7.537 9.715 -0.573
237 HB THR 34 HB THR 34 8.676 7.762 0.524
238 HG1 THR 34 HG1 THR 34 8.217 6.366 -1.400
239 HG21 THR 34 3HG2 THR 34 5.873 7.026 0.848
240 HG22 THR 34 1HG2 THR 34 6.137 8.769 0.902
241 HG23 THR 34 2HG2 THR 34 7.004 7.710 2.015
242 H GLY 35 H GLY 35 8.786 10.745 -2.164
243 HA2 GLY 35 1HA GLY 35 11.360 9.636 -2.579
244 HA3 GLY 35 2HA GLY 35 10.417 9.523 -4.057
245 H GLU 36 H GLU 36 10.195 11.286 -5.327
246 HA GLU 36 HA GLU 36 10.617 13.947 -4.328
247 HB2 GLU 36 1HB GLU 36 12.944 12.978 -4.656
248 HB3 GLU 36 2HB GLU 36 12.587 12.940 -6.377
249 HG2 GLU 36 1HG GLU 36 12.042 15.445 -6.085
250 HG3 GLU 36 2HG GLU 36 12.947 15.298 -4.580
251 H SER 37 H SER 37 9.946 15.544 -5.770
252 HA SER 37 HA SER 37 8.568 16.393 -7.376
253 HB2 SER 37 1HB SER 37 9.188 15.927 -9.643
254 HB3 SER 37 2HB SER 37 10.665 15.852 -8.682
255 HG SER 37 HG SER 37 10.863 13.961 -9.582
256 H GLY 38 H GLY 38 7.239 14.611 -5.817
257 HA2 GLY 38 1HA GLY 38 5.870 12.679 -7.498
258 HA3 GLY 38 2HA GLY 38 5.598 12.950 -5.784
259 HA PRO 39 HA PRO 39 2.108 14.782 -8.333
260 HB2 PRO 39 1HB PRO 39 0.123 13.319 -7.198
261 HB3 PRO 39 2HB PRO 39 1.026 12.776 -8.617
262 HG2 PRO 39 1HG PRO 39 1.385 12.026 -5.741
263 HG3 PRO 39 2HG PRO 39 1.414 10.989 -7.180
264 HD2 PRO 39 1HD PRO 39 3.672 11.838 -5.949
265 HD3 PRO 39 2HD PRO 39 3.586 11.560 -7.700
266 H SER 40 H SER 40 3.270 14.771 -5.253
267 HA SER 40 HA SER 40 1.477 15.527 -3.433
268 HB2 SER 40 1HB SER 40 4.016 17.053 -4.059
269 HB3 SER 40 2HB SER 40 3.108 17.182 -2.553
270 HG SER 40 HG SER 40 4.053 15.433 -1.901
271 H SER 41 H SER 41 2.747 17.810 -5.859
272 HA SER 41 HA SER 41 1.363 20.066 -5.266
273 HB2 SER 41 1HB SER 41 2.974 19.664 -7.207
274 HB3 SER 41 2HB SER 41 1.576 19.084 -8.113
275 HG SER 41 HG SER 41 2.299 21.495 -8.064
276 H GLY 42 H GLY 42 0.137 17.539 -7.474
277 HA2 GLY 42 1HA GLY 42 -2.346 18.494 -8.040
278 HA3 GLY 42 2HA GLY 42 -2.020 16.784 -7.797
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -16.705 1.062 -18.785
2 HA2 GLY 1 1HA GLY 1 -17.111 -1.018 -19.897
3 HA3 GLY 1 2HA GLY 1 -15.442 -1.008 -20.449
4 H SER 2 H SER 2 -17.490 -2.547 -18.452
5 HA SER 2 HA SER 2 -15.490 -3.037 -16.358
6 HB2 SER 2 1HB SER 2 -18.433 -3.748 -16.444
7 HB3 SER 2 2HB SER 2 -17.345 -4.068 -15.093
8 HG SER 2 HG SER 2 -17.935 -2.152 -14.465
9 H SER 3 H SER 3 -15.304 -5.306 -15.583
10 HA SER 3 HA SER 3 -15.421 -7.174 -17.860
11 HB2 SER 3 1HB SER 3 -13.134 -6.418 -16.882
12 HB3 SER 3 2HB SER 3 -13.528 -7.500 -15.546
13 HG SER 3 HG SER 3 -13.445 -8.238 -18.287
14 H GLY 4 H GLY 4 -15.330 -9.545 -17.042
15 HA2 GLY 4 1HA GLY 4 -17.695 -10.266 -15.907
16 HA3 GLY 4 2HA GLY 4 -16.250 -11.260 -15.802
17 H SER 5 H SER 5 -14.627 -10.117 -14.091
18 HA SER 5 HA SER 5 -16.206 -9.973 -11.615
19 HB2 SER 5 1HB SER 5 -14.152 -10.692 -10.463
20 HB3 SER 5 2HB SER 5 -14.608 -11.836 -11.725
21 HG SER 5 HG SER 5 -12.294 -10.958 -11.510
22 H SER 6 H SER 6 -16.211 -8.177 -10.421
23 HA SER 6 HA SER 6 -15.090 -5.776 -11.382
24 HB2 SER 6 1HB SER 6 -16.403 -6.557 -8.789
25 HB3 SER 6 2HB SER 6 -15.733 -4.942 -9.019
26 HG SER 6 HG SER 6 -17.327 -4.463 -10.318
27 H GLY 7 H GLY 7 -14.164 -7.906 -8.693
28 HA2 GLY 7 1HA GLY 7 -12.073 -8.263 -7.774
29 HA3 GLY 7 2HA GLY 7 -11.403 -7.169 -8.974
30 H GLU 8 H GLU 8 -13.387 -7.140 -6.019
31 HA GLU 8 HA GLU 8 -13.099 -4.446 -5.395
32 HB2 GLU 8 1HB GLU 8 -13.576 -5.129 -3.052
33 HB3 GLU 8 2HB GLU 8 -14.695 -5.815 -4.221
34 HG2 GLU 8 1HG GLU 8 -13.555 -7.939 -4.128
35 HG3 GLU 8 2HG GLU 8 -12.333 -7.266 -3.050
36 H LYS 9 H LYS 9 -11.713 -3.322 -3.986
37 HA LYS 9 HA LYS 9 -9.140 -4.647 -3.439
38 HB2 LYS 9 1HB LYS 9 -9.442 -1.757 -4.260
39 HB3 LYS 9 2HB LYS 9 -7.946 -2.660 -4.062
40 HG2 LYS 9 1HG LYS 9 -8.181 -3.759 -6.055
41 HG3 LYS 9 2HG LYS 9 -9.941 -3.620 -6.050
42 HD2 LYS 9 1HD LYS 9 -9.727 -1.207 -6.498
43 HD3 LYS 9 2HD LYS 9 -7.972 -1.387 -6.555
44 HE2 LYS 9 1HE LYS 9 -9.947 -2.753 -8.382
45 HE3 LYS 9 2HE LYS 9 -8.960 -1.353 -8.798
46 HZ1 LYS 9 3HZ LYS 9 -7.533 -2.880 -9.551
47 HZ2 LYS 9 1HZ LYS 9 -8.235 -4.141 -8.667
48 HZ3 LYS 9 2HZ LYS 9 -7.119 -3.108 -7.926
49 HA PRO 10 HA PRO 10 -10.580 -3.152 0.600
50 HB2 PRO 10 1HB PRO 10 -9.050 -4.890 2.018
51 HB3 PRO 10 2HB PRO 10 -10.608 -5.336 1.313
52 HG2 PRO 10 1HG PRO 10 -7.846 -5.848 0.279
53 HG3 PRO 10 2HG PRO 10 -9.243 -6.939 0.325
54 HD2 PRO 10 1HD PRO 10 -8.496 -5.623 -1.921
55 HD3 PRO 10 2HD PRO 10 -10.191 -6.008 -1.559
56 H TYR 11 H TYR 11 -7.600 -3.082 -0.999
57 HA TYR 11 HA TYR 11 -6.309 -1.612 1.196
58 HB2 TYR 11 1HB TYR 11 -5.036 -2.716 -1.315
59 HB3 TYR 11 2HB TYR 11 -4.202 -2.024 0.071
60 HD1 TYR 11 HD1 TYR 11 -6.202 -4.908 -1.084
61 HD2 TYR 11 HD2 TYR 11 -3.730 -3.333 2.000
62 HE1 TYR 11 HE1 TYR 11 -6.060 -7.142 -0.065
63 HE2 TYR 11 HE2 TYR 11 -3.580 -5.563 3.026
64 HH TYR 11 HH TYR 11 -3.882 -7.831 2.556
65 H GLU 12 H GLU 12 -6.077 0.520 1.060
66 HA GLU 12 HA GLU 12 -6.296 1.793 -1.586
67 HB2 GLU 12 1HB GLU 12 -7.765 2.368 0.937
68 HB3 GLU 12 2HB GLU 12 -7.285 3.740 -0.052
69 HG2 GLU 12 1HG GLU 12 -9.400 3.285 -0.832
70 HG3 GLU 12 2HG GLU 12 -8.382 2.428 -1.987
71 H CYS 13 H CYS 13 -5.095 3.692 -1.903
72 HA CYS 13 HA CYS 13 -2.688 3.827 -0.307
73 HB2 CYS 13 1HB CYS 13 -2.748 3.978 -2.837
74 HB3 CYS 13 2HB CYS 13 -3.439 5.586 -2.644
75 H THR 14 H THR 14 -2.367 5.165 1.335
76 HA THR 14 HA THR 14 -4.333 7.206 1.942
77 HB THR 14 HB THR 14 -3.023 7.523 4.032
78 HG1 THR 14 HG1 THR 14 -1.114 6.358 2.667
79 HG21 THR 14 3HG2 THR 14 -4.409 5.962 4.806
80 HG22 THR 14 1HG2 THR 14 -3.234 4.727 4.356
81 HG23 THR 14 2HG2 THR 14 -4.491 5.206 3.216
82 H ASP 15 H ASP 15 -2.424 7.481 -0.348
83 HA ASP 15 HA ASP 15 -1.189 10.029 0.475
84 HB2 ASP 15 1HB ASP 15 -0.162 7.802 -1.208
85 HB3 ASP 15 2HB ASP 15 0.250 9.441 -1.704
86 H CYS 16 H CYS 16 -2.870 8.273 -2.078
87 HA CYS 16 HA CYS 16 -3.661 10.865 -3.233
88 HB2 CYS 16 1HB CYS 16 -3.683 9.788 -5.460
89 HB3 CYS 16 2HB CYS 16 -2.075 9.804 -4.743
90 H GLY 17 H GLY 17 -4.521 7.540 -2.508
91 HA2 GLY 17 1HA GLY 17 -6.769 7.153 -1.640
92 HA3 GLY 17 2HA GLY 17 -7.356 8.294 -2.840
93 H LYS 18 H LYS 18 -4.907 6.098 -3.836
94 HA LYS 18 HA LYS 18 -6.631 4.932 -5.795
95 HB2 LYS 18 1HB LYS 18 -3.754 4.726 -5.069
96 HB3 LYS 18 2HB LYS 18 -4.451 3.395 -5.983
97 HG2 LYS 18 1HG LYS 18 -5.167 4.963 -7.718
98 HG3 LYS 18 2HG LYS 18 -4.457 6.294 -6.801
99 HD2 LYS 18 1HD LYS 18 -2.256 5.110 -6.951
100 HD3 LYS 18 2HD LYS 18 -3.019 3.953 -8.044
101 HE2 LYS 18 1HE LYS 18 -1.991 5.511 -9.458
102 HE3 LYS 18 2HE LYS 18 -3.689 5.982 -9.442
103 HZ1 LYS 18 3HZ LYS 18 -2.568 7.969 -9.151
104 HZ2 LYS 18 1HZ LYS 18 -1.398 7.297 -8.130
105 HZ3 LYS 18 2HZ LYS 18 -2.972 7.548 -7.564
106 H ALA 19 H ALA 19 -6.461 2.434 -6.092
107 HA ALA 19 HA ALA 19 -6.775 1.069 -3.512
108 HB1 ALA 19 3HB ALA 19 -8.980 0.979 -3.772
109 HB2 ALA 19 1HB ALA 19 -8.879 1.654 -5.399
110 HB3 ALA 19 2HB ALA 19 -8.704 -0.084 -5.153
111 H PHE 20 H PHE 20 -6.225 -1.096 -3.499
112 HA PHE 20 HA PHE 20 -5.404 -2.336 -6.014
113 HB2 PHE 20 1HB PHE 20 -3.582 -2.182 -3.604
114 HB3 PHE 20 2HB PHE 20 -3.230 -2.989 -5.129
115 HD1 PHE 20 HD1 PHE 20 -3.941 0.334 -3.644
116 HD2 PHE 20 HD2 PHE 20 -2.222 -1.831 -6.879
117 HE1 PHE 20 HE1 PHE 20 -2.961 2.417 -4.512
118 HE2 PHE 20 HE2 PHE 20 -1.238 0.248 -7.753
119 HZ PHE 20 HZ PHE 20 -1.606 2.376 -6.569
120 H GLY 21 H GLY 21 -5.969 -4.421 -6.117
121 HA2 GLY 21 1HA GLY 21 -7.487 -5.620 -4.057
122 HA3 GLY 21 2HA GLY 21 -6.897 -6.429 -5.501
123 H LEU 22 H LEU 22 -4.105 -5.482 -4.582
124 HA LEU 22 HA LEU 22 -3.703 -7.640 -2.616
125 HB2 LEU 22 1HB LEU 22 -2.227 -6.878 -5.071
126 HB3 LEU 22 2HB LEU 22 -1.274 -7.438 -3.699
127 HG LEU 22 HG LEU 22 -3.324 -8.951 -5.293
128 HD11 LEU 22 1HD1 LEU 22 -1.241 -10.581 -5.073
129 HD12 LEU 22 2HD1 LEU 22 -0.391 -9.049 -4.875
130 HD13 LEU 22 3HD1 LEU 22 -1.342 -9.348 -6.330
131 HD21 LEU 22 3HD2 LEU 22 -3.978 -9.761 -3.277
132 HD22 LEU 22 1HD2 LEU 22 -2.459 -9.338 -2.487
133 HD23 LEU 22 2HD2 LEU 22 -2.552 -10.774 -3.507
134 H LYS 23 H LYS 23 -1.856 -7.366 -1.169
135 HA LYS 23 HA LYS 23 -1.748 -4.660 -0.159
136 HB2 LYS 23 1HB LYS 23 -1.975 -6.378 1.481
137 HB3 LYS 23 2HB LYS 23 -0.617 -7.280 0.821
138 HG2 LYS 23 1HG LYS 23 0.333 -6.322 2.672
139 HG3 LYS 23 2HG LYS 23 0.737 -5.135 1.429
140 HD2 LYS 23 1HD LYS 23 -1.054 -3.706 2.117
141 HD3 LYS 23 2HD LYS 23 -1.689 -4.940 3.208
142 HE2 LYS 23 1HE LYS 23 -0.513 -3.312 4.514
143 HE3 LYS 23 2HE LYS 23 0.434 -4.798 4.499
144 HZ1 LYS 23 3HZ LYS 23 2.085 -3.842 3.325
145 HZ2 LYS 23 1HZ LYS 23 1.472 -2.416 3.998
146 HZ3 LYS 23 2HZ LYS 23 1.048 -2.857 2.422
147 H SER 24 H SER 24 0.292 -6.833 -1.950
148 HA SER 24 HA SER 24 2.697 -5.296 -1.541
149 HB2 SER 24 1HB SER 24 3.003 -7.640 -1.892
150 HB3 SER 24 2HB SER 24 2.017 -7.616 -3.354
151 HG SER 24 HG SER 24 4.533 -6.346 -3.001
152 H GLN 25 H GLN 25 0.110 -5.435 -3.864
153 HA GLN 25 HA GLN 25 1.421 -4.039 -5.960
154 HB2 GLN 25 1HB GLN 25 -1.442 -4.651 -5.311
155 HB3 GLN 25 2HB GLN 25 -1.051 -3.548 -6.623
156 HG2 GLN 25 1HG GLN 25 0.543 -5.543 -7.324
157 HG3 GLN 25 2HG GLN 25 -0.645 -6.474 -6.413
158 HE21 GLN 25 1HE2 GLN 25 -1.812 -7.471 -7.914
159 HE22 GLN 25 2HE2 GLN 25 -2.612 -6.700 -9.237
160 H LEU 26 H LEU 26 -0.251 -3.053 -3.073
161 HA LEU 26 HA LEU 26 -0.553 -0.308 -3.887
162 HB2 LEU 26 1HB LEU 26 -2.177 -1.077 -2.376
163 HB3 LEU 26 2HB LEU 26 -0.967 -1.794 -1.313
164 HG LEU 26 HG LEU 26 -0.230 0.504 -0.703
165 HD11 LEU 26 1HD1 LEU 26 -1.760 1.237 -2.917
166 HD12 LEU 26 2HD1 LEU 26 -0.963 2.308 -1.765
167 HD13 LEU 26 3HD1 LEU 26 -2.645 1.840 -1.515
168 HD21 LEU 26 3HD2 LEU 26 -1.727 0.600 0.990
169 HD22 LEU 26 1HD2 LEU 26 -2.209 -0.969 0.343
170 HD23 LEU 26 2HD2 LEU 26 -3.120 0.479 -0.087
171 H ILE 27 H ILE 27 1.492 -2.035 -1.540
172 HA ILE 27 HA ILE 27 2.965 0.053 -0.541
173 HB ILE 27 HB ILE 27 3.994 -2.703 -1.228
174 HG12 ILE 27 1HG1 ILE 27 3.051 -1.694 1.453
175 HG13 ILE 27 2HG1 ILE 27 1.963 -2.475 0.311
176 HG21 ILE 27 1HG2 ILE 27 5.161 -1.234 1.030
177 HG22 ILE 27 2HG2 ILE 27 5.934 -2.242 -0.192
178 HG23 ILE 27 3HG2 ILE 27 5.524 -0.568 -0.562
179 HD11 ILE 27 3HD1 ILE 27 4.108 -3.620 1.982
180 HD12 ILE 27 1HD1 ILE 27 2.546 -4.291 1.515
181 HD13 ILE 27 2HD1 ILE 27 3.891 -4.312 0.375
182 H ILE 28 H ILE 28 3.750 -1.879 -3.432
183 HA ILE 28 HA ILE 28 6.071 -0.560 -4.183
184 HB ILE 28 HB ILE 28 3.974 -1.810 -5.960
185 HG12 ILE 28 1HG1 ILE 28 6.625 -2.995 -5.177
186 HG13 ILE 28 2HG1 ILE 28 5.211 -3.182 -4.146
187 HG21 ILE 28 1HG2 ILE 28 5.377 -0.272 -7.226
188 HG22 ILE 28 2HG2 ILE 28 6.824 -1.053 -6.590
189 HG23 ILE 28 3HG2 ILE 28 5.736 -1.945 -7.654
190 HD11 ILE 28 3HD1 ILE 28 5.935 -4.875 -6.142
191 HD12 ILE 28 1HD1 ILE 28 4.309 -4.729 -5.475
192 HD13 ILE 28 2HD1 ILE 28 4.740 -3.858 -6.947
193 H HIS 29 H HIS 29 2.712 0.316 -4.723
194 HA HIS 29 HA HIS 29 3.216 2.407 -6.577
195 HB2 HIS 29 1HB HIS 29 1.014 1.658 -6.628
196 HB3 HIS 29 2HB HIS 29 0.883 1.611 -4.872
197 HD1 HIS 29 HD1 HIS 29 1.221 4.239 -7.605
198 HD2 HIS 29 HD2 HIS 29 -0.476 3.713 -3.849
199 HE1 HIS 29 HE1 HIS 29 -0.075 6.345 -7.152
200 H GLN 30 H GLN 30 2.479 2.446 -3.091
201 HA GLN 30 HA GLN 30 2.548 5.122 -2.575
202 HB2 GLN 30 1HB GLN 30 3.526 2.785 -0.958
203 HB3 GLN 30 2HB GLN 30 3.625 4.425 -0.332
204 HG2 GLN 30 1HG GLN 30 1.269 4.682 -0.387
205 HG3 GLN 30 2HG GLN 30 1.066 3.190 -1.304
206 HE21 GLN 30 1HE2 GLN 30 -0.479 2.936 0.577
207 HE22 GLN 30 2HE2 GLN 30 0.138 2.130 1.976
208 H ARG 31 H ARG 31 5.180 3.117 -3.546
209 HA ARG 31 HA ARG 31 7.381 4.493 -2.578
210 HB2 ARG 31 1HB ARG 31 7.055 3.121 -5.253
211 HB3 ARG 31 2HB ARG 31 8.594 3.595 -4.546
212 HG2 ARG 31 1HG ARG 31 7.869 2.128 -2.551
213 HG3 ARG 31 2HG ARG 31 6.711 1.438 -3.691
214 HD2 ARG 31 1HD ARG 31 8.650 0.065 -3.746
215 HD3 ARG 31 2HD ARG 31 8.637 1.006 -5.237
216 HE ARG 31 HE ARG 31 10.572 2.031 -4.566
217 HH11 ARG 31 1HH1 ARG 31 9.125 0.419 -1.840
218 HH12 ARG 31 2HH1 ARG 31 10.483 0.683 -0.797
219 HH21 ARG 31 1HH2 ARG 31 12.366 2.384 -3.202
220 HH22 ARG 31 2HH2 ARG 31 12.326 1.802 -1.573
221 H THR 32 H THR 32 5.350 5.187 -5.373
222 HA THR 32 HA THR 32 6.929 7.203 -6.525
223 HB THR 32 HB THR 32 4.953 7.901 -7.727
224 HG1 THR 32 HG1 THR 32 3.572 7.703 -5.760
225 HG21 THR 32 3HG2 THR 32 5.947 5.824 -8.482
226 HG22 THR 32 1HG2 THR 32 4.194 5.729 -8.642
227 HG23 THR 32 2HG2 THR 32 5.004 4.911 -7.305
228 H HIS 33 H HIS 33 4.783 7.219 -3.791
229 HA HIS 33 HA HIS 33 4.607 10.100 -3.663
230 HB2 HIS 33 1HB HIS 33 3.719 7.924 -1.763
231 HB3 HIS 33 2HB HIS 33 3.461 9.642 -1.472
232 HD1 HIS 33 HD1 HIS 33 2.218 10.790 -3.784
233 HD2 HIS 33 HD2 HIS 33 1.504 6.815 -2.811
234 HE1 HIS 33 HE1 HIS 33 0.066 10.191 -4.940
235 H THR 34 H THR 34 5.850 7.652 -1.382
236 HA THR 34 HA THR 34 7.157 9.184 0.409
237 HB THR 34 HB THR 34 8.900 7.371 0.579
238 HG1 THR 34 HG1 THR 34 8.927 5.779 -0.878
239 HG21 THR 34 3HG2 THR 34 7.071 7.022 1.969
240 HG22 THR 34 1HG2 THR 34 7.108 5.540 1.015
241 HG23 THR 34 2HG2 THR 34 5.956 6.815 0.618
242 H GLY 35 H GLY 35 8.408 8.288 -2.789
243 HA2 GLY 35 1HA GLY 35 9.682 10.561 -3.477
244 HA3 GLY 35 2HA GLY 35 10.839 9.810 -2.388
245 H GLU 36 H GLU 36 12.415 8.903 -3.520
246 HA GLU 36 HA GLU 36 13.538 7.722 -5.108
247 HB2 GLU 36 1HB GLU 36 11.973 5.954 -4.168
248 HB3 GLU 36 2HB GLU 36 10.949 6.244 -5.567
249 HG2 GLU 36 1HG GLU 36 12.507 4.290 -5.743
250 HG3 GLU 36 2HG GLU 36 12.595 5.457 -7.061
251 H SER 37 H SER 37 12.412 10.156 -5.949
252 HA SER 37 HA SER 37 11.200 9.742 -8.543
253 HB2 SER 37 1HB SER 37 10.427 11.655 -7.333
254 HB3 SER 37 2HB SER 37 12.073 12.222 -7.053
255 HG SER 37 HG SER 37 11.238 11.878 -9.695
256 H GLY 38 H GLY 38 14.164 11.400 -7.430
257 HA2 GLY 38 1HA GLY 38 15.687 10.217 -9.585
258 HA3 GLY 38 2HA GLY 38 15.413 11.944 -9.762
259 HA PRO 39 HA PRO 39 18.955 10.790 -6.707
260 HB2 PRO 39 1HB PRO 39 21.077 10.633 -8.394
261 HB3 PRO 39 2HB PRO 39 20.113 9.226 -7.928
262 HG2 PRO 39 1HG PRO 39 19.972 10.876 -10.422
263 HG3 PRO 39 2HG PRO 39 19.902 9.113 -10.241
264 HD2 PRO 39 1HD PRO 39 17.688 10.630 -10.602
265 HD3 PRO 39 2HD PRO 39 17.677 9.138 -9.641
266 H SER 40 H SER 40 19.780 12.551 -5.772
267 HA SER 40 HA SER 40 20.282 14.918 -7.452
268 HB2 SER 40 1HB SER 40 18.539 15.467 -5.947
269 HB3 SER 40 2HB SER 40 19.337 14.655 -4.600
270 HG SER 40 HG SER 40 19.935 16.653 -4.199
271 H SER 41 H SER 41 22.430 14.292 -7.921
272 HA SER 41 HA SER 41 24.416 13.445 -6.272
273 HB2 SER 41 1HB SER 41 24.890 13.724 -8.596
274 HB3 SER 41 2HB SER 41 24.555 15.454 -8.525
275 HG SER 41 HG SER 41 26.759 14.039 -7.465
276 H GLY 42 H GLY 42 24.614 14.149 -4.218
277 HA2 GLY 42 1HA GLY 42 25.929 15.752 -2.914
278 HA3 GLY 42 2HA GLY 42 25.170 17.028 -3.854
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -11.116 -1.528 -21.214
2 HA2 GLY 1 1HA GLY 1 -10.012 -1.524 -18.846
3 HA3 GLY 1 2HA GLY 1 -10.538 0.153 -18.880
4 H SER 2 H SER 2 -12.027 -2.945 -19.830
5 HA SER 2 HA SER 2 -14.414 -2.141 -18.309
6 HB2 SER 2 1HB SER 2 -14.014 -3.679 -20.829
7 HB3 SER 2 2HB SER 2 -15.368 -4.142 -19.798
8 HG SER 2 HG SER 2 -14.905 -1.458 -20.555
9 H SER 3 H SER 3 -12.775 -5.158 -19.284
10 HA SER 3 HA SER 3 -13.800 -6.536 -16.964
11 HB2 SER 3 1HB SER 3 -13.465 -7.579 -19.265
12 HB3 SER 3 2HB SER 3 -11.738 -7.575 -18.910
13 HG SER 3 HG SER 3 -12.264 -9.469 -18.097
14 H GLY 4 H GLY 4 -12.528 -7.493 -15.318
15 HA2 GLY 4 1HA GLY 4 -10.666 -7.748 -13.948
16 HA3 GLY 4 2HA GLY 4 -9.723 -6.821 -15.105
17 H SER 5 H SER 5 -10.024 -4.471 -15.113
18 HA SER 5 HA SER 5 -9.631 -3.313 -12.650
19 HB2 SER 5 1HB SER 5 -9.902 -1.178 -13.721
20 HB3 SER 5 2HB SER 5 -9.168 -2.270 -14.896
21 HG SER 5 HG SER 5 -11.929 -1.623 -14.735
22 H SER 6 H SER 6 -11.105 -1.381 -11.872
23 HA SER 6 HA SER 6 -12.958 -0.807 -10.683
24 HB2 SER 6 1HB SER 6 -14.309 -2.192 -13.010
25 HB3 SER 6 2HB SER 6 -15.164 -1.246 -11.792
26 HG SER 6 HG SER 6 -13.046 -0.229 -13.381
27 H GLY 7 H GLY 7 -11.650 -3.114 -9.815
28 HA2 GLY 7 1HA GLY 7 -13.840 -4.941 -9.080
29 HA3 GLY 7 2HA GLY 7 -12.127 -5.327 -9.008
30 H GLU 8 H GLU 8 -13.199 -6.047 -6.825
31 HA GLU 8 HA GLU 8 -13.422 -3.888 -4.901
32 HB2 GLU 8 1HB GLU 8 -13.606 -6.887 -4.570
33 HB3 GLU 8 2HB GLU 8 -13.875 -5.722 -3.282
34 HG2 GLU 8 1HG GLU 8 -15.819 -4.874 -4.329
35 HG3 GLU 8 2HG GLU 8 -15.471 -5.737 -5.825
36 H LYS 9 H LYS 9 -11.718 -3.056 -3.914
37 HA LYS 9 HA LYS 9 -9.418 -4.805 -3.346
38 HB2 LYS 9 1HB LYS 9 -9.242 -1.893 -4.132
39 HB3 LYS 9 2HB LYS 9 -7.897 -2.984 -3.829
40 HG2 LYS 9 1HG LYS 9 -8.313 -4.208 -5.799
41 HG3 LYS 9 2HG LYS 9 -9.900 -3.465 -6.014
42 HD2 LYS 9 1HD LYS 9 -8.984 -1.426 -6.693
43 HD3 LYS 9 2HD LYS 9 -7.400 -1.806 -6.013
44 HE2 LYS 9 1HE LYS 9 -6.959 -2.174 -8.220
45 HE3 LYS 9 2HE LYS 9 -7.523 -3.781 -7.768
46 HZ1 LYS 9 3HZ LYS 9 -8.519 -2.906 -9.842
47 HZ2 LYS 9 1HZ LYS 9 -9.264 -1.684 -8.941
48 HZ3 LYS 9 2HZ LYS 9 -9.665 -3.303 -8.663
49 HA PRO 10 HA PRO 10 -10.515 -3.342 0.754
50 HB2 PRO 10 1HB PRO 10 -8.835 -5.028 2.060
51 HB3 PRO 10 2HB PRO 10 -10.404 -5.537 1.425
52 HG2 PRO 10 1HG PRO 10 -7.676 -5.896 0.245
53 HG3 PRO 10 2HG PRO 10 -9.016 -7.054 0.339
54 HD2 PRO 10 1HD PRO 10 -8.446 -5.665 -1.914
55 HD3 PRO 10 2HD PRO 10 -10.100 -6.138 -1.477
56 H TYR 11 H TYR 11 -7.564 -3.195 -0.946
57 HA TYR 11 HA TYR 11 -6.291 -1.624 1.189
58 HB2 TYR 11 1HB TYR 11 -5.005 -2.728 -1.314
59 HB3 TYR 11 2HB TYR 11 -4.187 -2.011 0.071
60 HD1 TYR 11 HD1 TYR 11 -6.019 -4.968 -1.137
61 HD2 TYR 11 HD2 TYR 11 -3.778 -3.283 2.064
62 HE1 TYR 11 HE1 TYR 11 -5.820 -7.195 -0.112
63 HE2 TYR 11 HE2 TYR 11 -3.572 -5.505 3.097
64 HH TYR 11 HH TYR 11 -5.350 -8.249 1.925
65 H GLU 12 H GLU 12 -6.090 0.509 0.985
66 HA GLU 12 HA GLU 12 -6.296 1.708 -1.689
67 HB2 GLU 12 1HB GLU 12 -7.998 2.225 0.697
68 HB3 GLU 12 2HB GLU 12 -7.547 3.606 -0.294
69 HG2 GLU 12 1HG GLU 12 -9.487 3.030 -1.315
70 HG3 GLU 12 2HG GLU 12 -8.367 2.034 -2.244
71 H CYS 13 H CYS 13 -5.010 3.462 -2.051
72 HA CYS 13 HA CYS 13 -2.847 3.890 -0.218
73 HB2 CYS 13 1HB CYS 13 -2.390 3.913 -2.592
74 HB3 CYS 13 2HB CYS 13 -3.553 5.210 -2.845
75 H THR 14 H THR 14 -2.876 5.240 1.440
76 HA THR 14 HA THR 14 -4.976 7.136 1.825
77 HB THR 14 HB THR 14 -3.682 7.803 3.861
78 HG1 THR 14 HG1 THR 14 -1.638 6.931 2.652
79 HG21 THR 14 3HG2 THR 14 -5.303 5.792 3.648
80 HG22 THR 14 1HG2 THR 14 -4.277 5.908 5.077
81 HG23 THR 14 2HG2 THR 14 -3.843 4.811 3.766
82 H ASP 15 H ASP 15 -1.922 7.245 0.300
83 HA ASP 15 HA ASP 15 -1.267 9.966 0.701
84 HB2 ASP 15 1HB ASP 15 0.122 7.957 -0.304
85 HB3 ASP 15 2HB ASP 15 -0.520 8.560 -1.829
86 H CYS 16 H CYS 16 -2.794 8.331 -2.077
87 HA CYS 16 HA CYS 16 -3.909 10.940 -2.874
88 HB2 CYS 16 1HB CYS 16 -4.050 9.992 -5.166
89 HB3 CYS 16 2HB CYS 16 -2.398 10.082 -4.563
90 H GLY 17 H GLY 17 -4.584 7.470 -2.619
91 HA2 GLY 17 1HA GLY 17 -6.788 7.006 -1.519
92 HA3 GLY 17 2HA GLY 17 -7.465 8.123 -2.694
93 H LYS 18 H LYS 18 -4.941 6.159 -3.875
94 HA LYS 18 HA LYS 18 -6.610 4.916 -5.793
95 HB2 LYS 18 1HB LYS 18 -4.016 5.425 -5.776
96 HB3 LYS 18 2HB LYS 18 -3.922 3.793 -5.127
97 HG2 LYS 18 1HG LYS 18 -4.592 2.827 -7.077
98 HG3 LYS 18 2HG LYS 18 -5.547 4.226 -7.573
99 HD2 LYS 18 1HD LYS 18 -2.596 4.541 -7.382
100 HD3 LYS 18 2HD LYS 18 -3.246 3.618 -8.739
101 HE2 LYS 18 1HE LYS 18 -4.340 6.319 -8.036
102 HE3 LYS 18 2HE LYS 18 -2.887 6.157 -9.021
103 HZ1 LYS 18 3HZ LYS 18 -4.061 5.096 -10.709
104 HZ2 LYS 18 1HZ LYS 18 -5.113 6.325 -10.213
105 HZ3 LYS 18 2HZ LYS 18 -5.380 4.732 -9.714
106 H ALA 19 H ALA 19 -6.218 2.383 -6.095
107 HA ALA 19 HA ALA 19 -6.659 1.023 -3.532
108 HB1 ALA 19 3HB ALA 19 -8.859 1.030 -4.014
109 HB2 ALA 19 1HB ALA 19 -8.590 1.323 -5.733
110 HB3 ALA 19 2HB ALA 19 -8.427 -0.308 -5.079
111 H PHE 20 H PHE 20 -6.342 -1.287 -3.618
112 HA PHE 20 HA PHE 20 -5.168 -2.434 -5.998
113 HB2 PHE 20 1HB PHE 20 -3.511 -2.174 -3.480
114 HB3 PHE 20 2HB PHE 20 -3.035 -3.011 -4.954
115 HD1 PHE 20 HD1 PHE 20 -3.591 0.254 -3.393
116 HD2 PHE 20 HD2 PHE 20 -2.307 -1.797 -6.895
117 HE1 PHE 20 HE1 PHE 20 -2.622 2.344 -4.259
118 HE2 PHE 20 HE2 PHE 20 -1.336 0.289 -7.765
119 HZ PHE 20 HZ PHE 20 -1.492 2.363 -6.446
120 H GLY 21 H GLY 21 -6.239 -4.294 -6.110
121 HA2 GLY 21 1HA GLY 21 -7.581 -5.592 -4.072
122 HA3 GLY 21 2HA GLY 21 -7.018 -6.378 -5.539
123 H LEU 22 H LEU 22 -4.206 -5.477 -4.602
124 HA LEU 22 HA LEU 22 -3.810 -7.738 -2.754
125 HB2 LEU 22 1HB LEU 22 -2.293 -6.765 -5.107
126 HB3 LEU 22 2HB LEU 22 -1.361 -7.408 -3.757
127 HG LEU 22 HG LEU 22 -3.343 -8.838 -5.507
128 HD11 LEU 22 1HD1 LEU 22 -1.317 -10.442 -5.519
129 HD12 LEU 22 2HD1 LEU 22 -0.415 -9.048 -4.927
130 HD13 LEU 22 3HD1 LEU 22 -1.245 -8.965 -6.481
131 HD21 LEU 22 3HD2 LEU 22 -2.337 -9.571 -2.779
132 HD22 LEU 22 1HD2 LEU 22 -2.792 -10.806 -3.953
133 HD23 LEU 22 2HD2 LEU 22 -3.984 -9.626 -3.408
134 H LYS 23 H LYS 23 -1.715 -7.503 -1.461
135 HA LYS 23 HA LYS 23 -1.786 -4.893 -0.163
136 HB2 LYS 23 1HB LYS 23 -1.975 -6.806 1.296
137 HB3 LYS 23 2HB LYS 23 -0.511 -7.516 0.627
138 HG2 LYS 23 1HG LYS 23 0.265 -6.637 2.596
139 HG3 LYS 23 2HG LYS 23 0.607 -5.319 1.473
140 HD2 LYS 23 1HD LYS 23 -1.688 -4.402 2.144
141 HD3 LYS 23 2HD LYS 23 -1.610 -5.542 3.489
142 HE2 LYS 23 1HE LYS 23 -0.708 -3.665 4.457
143 HE3 LYS 23 2HE LYS 23 0.748 -4.464 3.864
144 HZ1 LYS 23 3HZ LYS 23 0.038 -1.906 3.338
145 HZ2 LYS 23 1HZ LYS 23 -0.457 -2.710 1.934
146 HZ3 LYS 23 2HZ LYS 23 1.152 -2.812 2.444
147 H SER 24 H SER 24 0.289 -6.847 -2.142
148 HA SER 24 HA SER 24 2.643 -5.243 -1.617
149 HB2 SER 24 1HB SER 24 2.487 -7.796 -2.258
150 HB3 SER 24 2HB SER 24 2.467 -7.167 -3.906
151 HG SER 24 HG SER 24 4.594 -7.621 -3.119
152 H GLN 25 H GLN 25 0.062 -5.393 -3.933
153 HA GLN 25 HA GLN 25 1.312 -3.915 -6.006
154 HB2 GLN 25 1HB GLN 25 -1.534 -4.581 -5.327
155 HB3 GLN 25 2HB GLN 25 -1.172 -3.451 -6.625
156 HG2 GLN 25 1HG GLN 25 0.430 -5.407 -7.392
157 HG3 GLN 25 2HG GLN 25 -0.717 -6.376 -6.468
158 HE21 GLN 25 1HE2 GLN 25 -2.263 -7.207 -7.655
159 HE22 GLN 25 2HE2 GLN 25 -2.969 -6.497 -9.062
160 H LEU 26 H LEU 26 -0.128 -3.034 -3.006
161 HA LEU 26 HA LEU 26 -0.507 -0.257 -3.772
162 HB2 LEU 26 1HB LEU 26 -2.176 -1.012 -2.328
163 HB3 LEU 26 2HB LEU 26 -1.025 -1.850 -1.289
164 HG LEU 26 HG LEU 26 -0.199 0.377 -0.526
165 HD11 LEU 26 1HD1 LEU 26 -1.394 1.400 -2.695
166 HD12 LEU 26 2HD1 LEU 26 -1.046 2.342 -1.246
167 HD13 LEU 26 3HD1 LEU 26 -2.661 1.681 -1.501
168 HD21 LEU 26 3HD2 LEU 26 -3.123 -0.228 -0.101
169 HD22 LEU 26 1HD2 LEU 26 -2.148 0.843 0.905
170 HD23 LEU 26 2HD2 LEU 26 -1.768 -0.877 0.824
171 H ILE 27 H ILE 27 1.489 -2.105 -1.479
172 HA ILE 27 HA ILE 27 2.957 -0.042 -0.381
173 HB ILE 27 HB ILE 27 3.998 -2.790 -1.079
174 HG12 ILE 27 1HG1 ILE 27 2.927 -1.934 1.596
175 HG13 ILE 27 2HG1 ILE 27 1.845 -2.540 0.347
176 HG21 ILE 27 1HG2 ILE 27 5.598 -0.858 -0.395
177 HG22 ILE 27 2HG2 ILE 27 4.942 -1.131 1.218
178 HG23 ILE 27 3HG2 ILE 27 5.763 -2.439 0.368
179 HD11 ILE 27 3HD1 ILE 27 2.524 -4.271 1.944
180 HD12 ILE 27 1HD1 ILE 27 3.029 -4.641 0.295
181 HD13 ILE 27 2HD1 ILE 27 4.205 -4.035 1.463
182 H ILE 28 H ILE 28 3.471 -1.736 -3.437
183 HA ILE 28 HA ILE 28 5.944 -0.485 -4.057
184 HB ILE 28 HB ILE 28 3.919 -1.779 -5.887
185 HG12 ILE 28 1HG1 ILE 28 6.546 -2.932 -4.975
186 HG13 ILE 28 2HG1 ILE 28 5.079 -3.137 -4.024
187 HG21 ILE 28 1HG2 ILE 28 6.806 -1.114 -6.445
188 HG22 ILE 28 2HG2 ILE 28 5.658 -1.864 -7.552
189 HG23 ILE 28 3HG2 ILE 28 5.428 -0.191 -7.044
190 HD11 ILE 28 3HD1 ILE 28 5.258 -5.074 -5.316
191 HD12 ILE 28 1HD1 ILE 28 4.039 -4.096 -6.132
192 HD13 ILE 28 2HD1 ILE 28 5.682 -4.171 -6.769
193 H HIS 29 H HIS 29 2.604 0.404 -4.501
194 HA HIS 29 HA HIS 29 3.105 2.472 -6.418
195 HB2 HIS 29 1HB HIS 29 0.921 1.673 -6.528
196 HB3 HIS 29 2HB HIS 29 0.743 1.627 -4.777
197 HD1 HIS 29 HD1 HIS 29 0.580 3.976 -7.696
198 HD2 HIS 29 HD2 HIS 29 -0.160 3.983 -3.607
199 HE1 HIS 29 HE1 HIS 29 -0.637 6.128 -7.236
200 H GLN 30 H GLN 30 2.487 2.396 -2.924
201 HA GLN 30 HA GLN 30 2.427 5.111 -2.408
202 HB2 GLN 30 1HB GLN 30 3.475 2.826 -0.740
203 HB3 GLN 30 2HB GLN 30 3.341 4.470 -0.129
204 HG2 GLN 30 1HG GLN 30 0.869 4.268 -0.916
205 HG3 GLN 30 2HG GLN 30 1.190 2.536 -0.848
206 HE21 GLN 30 1HE2 GLN 30 1.040 1.541 1.049
207 HE22 GLN 30 2HE2 GLN 30 0.880 2.324 2.580
208 H ARG 31 H ARG 31 5.062 3.180 -3.429
209 HA ARG 31 HA ARG 31 7.221 4.631 -2.360
210 HB2 ARG 31 1HB ARG 31 7.080 3.090 -4.958
211 HB3 ARG 31 2HB ARG 31 8.555 3.596 -4.146
212 HG2 ARG 31 1HG ARG 31 7.575 2.235 -2.145
213 HG3 ARG 31 2HG ARG 31 6.626 1.451 -3.409
214 HD2 ARG 31 1HD ARG 31 8.474 0.092 -3.359
215 HD3 ARG 31 2HD ARG 31 8.952 1.251 -4.599
216 HE ARG 31 HE ARG 31 10.554 2.094 -3.167
217 HH11 ARG 31 1HH1 ARG 31 8.475 -0.125 -1.472
218 HH12 ARG 31 2HH1 ARG 31 9.489 -0.207 -0.069
219 HH21 ARG 31 1HH2 ARG 31 11.897 1.994 -1.327
220 HH22 ARG 31 2HH2 ARG 31 11.435 1.000 0.012
221 H THR 32 H THR 32 5.630 4.870 -5.537
222 HA THR 32 HA THR 32 7.129 6.908 -6.638
223 HB THR 32 HB THR 32 5.258 5.588 -7.748
224 HG1 THR 32 HG1 THR 32 6.273 7.321 -8.819
225 HG21 THR 32 3HG2 THR 32 3.402 7.796 -7.057
226 HG22 THR 32 1HG2 THR 32 3.652 6.544 -5.841
227 HG23 THR 32 2HG2 THR 32 3.061 6.110 -7.445
228 H HIS 33 H HIS 33 4.729 7.066 -4.130
229 HA HIS 33 HA HIS 33 4.249 9.873 -4.290
230 HB2 HIS 33 1HB HIS 33 3.660 7.734 -2.276
231 HB3 HIS 33 2HB HIS 33 3.455 9.426 -1.832
232 HD1 HIS 33 HD1 HIS 33 1.981 10.740 -3.918
233 HD2 HIS 33 HD2 HIS 33 1.322 6.714 -3.128
234 HE1 HIS 33 HE1 HIS 33 -0.295 10.234 -4.860
235 H THR 34 H THR 34 6.516 7.841 -2.539
236 HA THR 34 HA THR 34 7.714 10.249 -1.341
237 HB THR 34 HB THR 34 8.786 8.780 0.285
238 HG1 THR 34 HG1 THR 34 7.852 6.493 0.193
239 HG21 THR 34 3HG2 THR 34 6.930 8.422 1.613
240 HG22 THR 34 1HG2 THR 34 5.942 7.860 0.266
241 HG23 THR 34 2HG2 THR 34 6.298 9.578 0.442
242 H GLY 35 H GLY 35 10.213 9.604 -0.826
243 HA2 GLY 35 1HA GLY 35 12.274 8.896 -1.698
244 HA3 GLY 35 2HA GLY 35 11.449 8.361 -3.154
245 H GLU 36 H GLU 36 10.264 10.434 -4.215
246 HA GLU 36 HA GLU 36 12.473 12.257 -4.798
247 HB2 GLU 36 1HB GLU 36 9.872 11.717 -6.235
248 HB3 GLU 36 2HB GLU 36 11.033 12.936 -6.739
249 HG2 GLU 36 1HG GLU 36 11.926 10.115 -6.386
250 HG3 GLU 36 2HG GLU 36 11.036 10.577 -7.836
251 H SER 37 H SER 37 11.567 14.543 -5.517
252 HA SER 37 HA SER 37 9.433 15.547 -3.859
253 HB2 SER 37 1HB SER 37 11.472 15.414 -2.344
254 HB3 SER 37 2HB SER 37 12.200 16.654 -3.365
255 HG SER 37 HG SER 37 10.200 16.863 -1.485
256 H GLY 38 H GLY 38 9.237 17.982 -4.115
257 HA2 GLY 38 1HA GLY 38 10.330 19.739 -5.723
258 HA3 GLY 38 2HA GLY 38 9.736 18.611 -6.933
259 HA PRO 39 HA PRO 39 6.419 21.684 -5.293
260 HB2 PRO 39 1HB PRO 39 6.707 23.727 -7.057
261 HB3 PRO 39 2HB PRO 39 7.541 23.678 -5.500
262 HG2 PRO 39 1HG PRO 39 8.568 22.969 -8.221
263 HG3 PRO 39 2HG PRO 39 9.363 23.887 -6.928
264 HD2 PRO 39 1HD PRO 39 9.906 21.278 -7.409
265 HD3 PRO 39 2HD PRO 39 9.975 21.984 -5.781
266 H SER 40 H SER 40 7.470 21.494 -8.702
267 HA SER 40 HA SER 40 4.780 21.410 -9.679
268 HB2 SER 40 1HB SER 40 7.354 20.749 -11.131
269 HB3 SER 40 2HB SER 40 5.794 21.100 -11.876
270 HG SER 40 HG SER 40 6.944 22.969 -10.125
271 H SER 41 H SER 41 7.431 19.023 -9.685
272 HA SER 41 HA SER 41 5.557 16.893 -10.298
273 HB2 SER 41 1HB SER 41 8.545 16.797 -9.817
274 HB3 SER 41 2HB SER 41 7.557 15.460 -10.404
275 HG SER 41 HG SER 41 8.101 16.276 -12.277
276 H GLY 42 H GLY 42 4.984 18.078 -7.859
277 HA2 GLY 42 1HA GLY 42 5.854 16.010 -5.935
278 HA3 GLY 42 2HA GLY 42 5.486 17.667 -5.479
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -17.062 -3.127 6.534
2 HA2 GLY 1 1HA GLY 1 -18.869 -3.450 5.150
3 HA3 GLY 1 2HA GLY 1 -17.659 -3.750 3.912
4 H SER 2 H SER 2 -17.298 -5.806 3.205
5 HA SER 2 HA SER 2 -17.643 -8.029 2.859
6 HB2 SER 2 1HB SER 2 -16.957 -8.217 5.258
7 HB3 SER 2 2HB SER 2 -18.658 -8.107 5.710
8 HG SER 2 HG SER 2 -17.927 -10.021 3.814
9 H SER 3 H SER 3 -19.594 -6.253 2.009
10 HA SER 3 HA SER 3 -22.175 -7.403 2.717
11 HB2 SER 3 1HB SER 3 -21.266 -4.970 1.249
12 HB3 SER 3 2HB SER 3 -22.858 -5.623 0.861
13 HG SER 3 HG SER 3 -23.473 -5.345 2.978
14 H GLY 4 H GLY 4 -20.448 -6.696 -0.330
15 HA2 GLY 4 1HA GLY 4 -21.979 -8.847 -1.616
16 HA3 GLY 4 2HA GLY 4 -21.093 -7.578 -2.448
17 H SER 5 H SER 5 -20.748 -10.078 -3.344
18 HA SER 5 HA SER 5 -18.087 -10.823 -2.319
19 HB2 SER 5 1HB SER 5 -18.622 -13.149 -3.141
20 HB3 SER 5 2HB SER 5 -19.588 -12.612 -1.767
21 HG SER 5 HG SER 5 -20.644 -13.631 -3.741
22 H SER 6 H SER 6 -18.418 -8.872 -4.274
23 HA SER 6 HA SER 6 -17.923 -10.157 -6.843
24 HB2 SER 6 1HB SER 6 -18.075 -7.218 -6.130
25 HB3 SER 6 2HB SER 6 -17.973 -7.879 -7.762
26 HG SER 6 HG SER 6 -20.145 -7.409 -6.405
27 H GLY 7 H GLY 7 -16.293 -7.833 -4.686
28 HA2 GLY 7 1HA GLY 7 -13.890 -8.498 -4.252
29 HA3 GLY 7 2HA GLY 7 -13.750 -8.556 -6.003
30 H GLU 8 H GLU 8 -14.004 -6.501 -3.204
31 HA GLU 8 HA GLU 8 -13.467 -4.158 -4.906
32 HB2 GLU 8 1HB GLU 8 -14.912 -4.461 -2.297
33 HB3 GLU 8 2HB GLU 8 -14.179 -2.920 -2.720
34 HG2 GLU 8 1HG GLU 8 -16.219 -4.385 -4.379
35 HG3 GLU 8 2HG GLU 8 -16.559 -3.032 -3.300
36 H LYS 9 H LYS 9 -11.381 -3.668 -4.942
37 HA LYS 9 HA LYS 9 -9.315 -4.578 -3.491
38 HB2 LYS 9 1HB LYS 9 -9.622 -1.694 -4.348
39 HB3 LYS 9 2HB LYS 9 -8.103 -2.503 -3.986
40 HG2 LYS 9 1HG LYS 9 -8.116 -3.704 -5.937
41 HG3 LYS 9 2HG LYS 9 -9.875 -3.650 -6.085
42 HD2 LYS 9 1HD LYS 9 -9.747 -1.266 -6.646
43 HD3 LYS 9 2HD LYS 9 -7.988 -1.332 -6.510
44 HE2 LYS 9 1HE LYS 9 -7.807 -2.769 -8.384
45 HE3 LYS 9 2HE LYS 9 -9.542 -3.082 -8.400
46 HZ1 LYS 9 3HZ LYS 9 -8.323 -0.426 -8.924
47 HZ2 LYS 9 1HZ LYS 9 -9.954 -0.846 -9.089
48 HZ3 LYS 9 2HZ LYS 9 -8.801 -1.509 -10.133
49 HA PRO 10 HA PRO 10 -10.613 -3.165 0.615
50 HB2 PRO 10 1HB PRO 10 -9.041 -4.933 1.948
51 HB3 PRO 10 2HB PRO 10 -10.618 -5.365 1.275
52 HG2 PRO 10 1HG PRO 10 -7.884 -5.845 0.154
53 HG3 PRO 10 2HG PRO 10 -9.277 -6.940 0.212
54 HD2 PRO 10 1HD PRO 10 -8.594 -5.568 -2.021
55 HD3 PRO 10 2HD PRO 10 -10.278 -5.967 -1.622
56 H TYR 11 H TYR 11 -7.670 -3.062 -1.058
57 HA TYR 11 HA TYR 11 -6.366 -1.575 1.123
58 HB2 TYR 11 1HB TYR 11 -5.064 -2.766 -1.332
59 HB3 TYR 11 2HB TYR 11 -4.249 -2.058 0.058
60 HD1 TYR 11 HD1 TYR 11 -6.138 -4.967 -1.159
61 HD2 TYR 11 HD2 TYR 11 -3.972 -3.300 2.101
62 HE1 TYR 11 HE1 TYR 11 -6.054 -7.181 -0.091
63 HE2 TYR 11 HE2 TYR 11 -3.880 -5.509 3.177
64 HH TYR 11 HH TYR 11 -5.338 -8.364 1.641
65 H GLU 12 H GLU 12 -6.153 0.551 0.921
66 HA GLU 12 HA GLU 12 -6.186 1.735 -1.769
67 HB2 GLU 12 1HB GLU 12 -8.374 1.880 -0.262
68 HB3 GLU 12 2HB GLU 12 -7.494 3.221 0.456
69 HG2 GLU 12 1HG GLU 12 -7.261 4.223 -1.788
70 HG3 GLU 12 2HG GLU 12 -8.245 2.914 -2.441
71 H CYS 13 H CYS 13 -4.812 3.422 -2.095
72 HA CYS 13 HA CYS 13 -2.634 3.744 -0.324
73 HB2 CYS 13 1HB CYS 13 -2.721 4.105 -2.876
74 HB3 CYS 13 2HB CYS 13 -3.340 5.708 -2.493
75 H THR 14 H THR 14 -2.524 4.897 1.473
76 HA THR 14 HA THR 14 -4.586 6.808 2.134
77 HB THR 14 HB THR 14 -3.381 7.027 4.293
78 HG1 THR 14 HG1 THR 14 -1.298 6.595 4.048
79 HG21 THR 14 3HG2 THR 14 -4.137 4.320 3.247
80 HG22 THR 14 1HG2 THR 14 -5.024 5.372 4.350
81 HG23 THR 14 2HG2 THR 14 -3.582 4.524 4.908
82 H ASP 15 H ASP 15 -2.549 7.328 -0.035
83 HA ASP 15 HA ASP 15 -1.587 9.916 0.998
84 HB2 ASP 15 1HB ASP 15 -0.207 7.835 -0.613
85 HB3 ASP 15 2HB ASP 15 0.106 9.514 -1.045
86 H CYS 16 H CYS 16 -2.960 8.134 -1.695
87 HA CYS 16 HA CYS 16 -3.742 10.701 -2.908
88 HB2 CYS 16 1HB CYS 16 -3.611 9.543 -5.130
89 HB3 CYS 16 2HB CYS 16 -2.055 9.770 -4.338
90 H GLY 17 H GLY 17 -4.534 7.315 -2.339
91 HA2 GLY 17 1HA GLY 17 -6.852 6.903 -1.600
92 HA3 GLY 17 2HA GLY 17 -7.360 7.980 -2.893
93 H LYS 18 H LYS 18 -4.893 6.383 -4.231
94 HA LYS 18 HA LYS 18 -6.344 4.938 -6.061
95 HB2 LYS 18 1HB LYS 18 -3.535 4.821 -5.088
96 HB3 LYS 18 2HB LYS 18 -4.107 3.472 -6.062
97 HG2 LYS 18 1HG LYS 18 -4.605 4.915 -7.897
98 HG3 LYS 18 2HG LYS 18 -4.294 6.351 -6.918
99 HD2 LYS 18 1HD LYS 18 -2.016 6.077 -6.996
100 HD3 LYS 18 2HD LYS 18 -2.126 4.329 -7.216
101 HE2 LYS 18 1HE LYS 18 -3.246 5.058 -9.500
102 HE3 LYS 18 2HE LYS 18 -2.303 6.520 -9.219
103 HZ1 LYS 18 3HZ LYS 18 -1.211 3.759 -9.309
104 HZ2 LYS 18 1HZ LYS 18 -0.312 5.170 -9.059
105 HZ3 LYS 18 2HZ LYS 18 -1.080 4.909 -10.543
106 H ALA 19 H ALA 19 -6.585 2.618 -6.371
107 HA ALA 19 HA ALA 19 -6.928 1.179 -3.821
108 HB1 ALA 19 3HB ALA 19 -8.950 0.305 -4.502
109 HB2 ALA 19 1HB ALA 19 -9.012 1.927 -5.192
110 HB3 ALA 19 2HB ALA 19 -8.601 0.548 -6.213
111 H PHE 20 H PHE 20 -6.324 -0.963 -3.727
112 HA PHE 20 HA PHE 20 -5.244 -2.218 -6.134
113 HB2 PHE 20 1HB PHE 20 -3.661 -1.937 -3.571
114 HB3 PHE 20 2HB PHE 20 -3.156 -2.831 -5.001
115 HD1 PHE 20 HD1 PHE 20 -3.827 0.527 -3.648
116 HD2 PHE 20 HD2 PHE 20 -2.203 -1.729 -6.870
117 HE1 PHE 20 HE1 PHE 20 -2.786 2.567 -4.547
118 HE2 PHE 20 HE2 PHE 20 -1.158 0.307 -7.774
119 HZ PHE 20 HZ PHE 20 -1.448 2.459 -6.612
120 H GLY 21 H GLY 21 -5.931 -4.248 -6.277
121 HA2 GLY 21 1HA GLY 21 -7.498 -5.462 -4.266
122 HA3 GLY 21 2HA GLY 21 -6.887 -6.257 -5.710
123 H LEU 22 H LEU 22 -4.097 -5.404 -4.770
124 HA LEU 22 HA LEU 22 -3.759 -7.603 -2.839
125 HB2 LEU 22 1HB LEU 22 -2.207 -6.738 -5.210
126 HB3 LEU 22 2HB LEU 22 -1.296 -7.349 -3.830
127 HG LEU 22 HG LEU 22 -3.287 -8.806 -5.547
128 HD11 LEU 22 1HD1 LEU 22 -0.367 -9.001 -4.966
129 HD12 LEU 22 2HD1 LEU 22 -1.213 -9.048 -6.512
130 HD13 LEU 22 3HD1 LEU 22 -1.265 -10.444 -5.437
131 HD21 LEU 22 3HD2 LEU 22 -2.314 -9.463 -2.787
132 HD22 LEU 22 1HD2 LEU 22 -2.787 -10.727 -3.922
133 HD23 LEU 22 2HD2 LEU 22 -3.959 -9.506 -3.424
134 H LYS 23 H LYS 23 -2.048 -7.381 -1.267
135 HA LYS 23 HA LYS 23 -1.959 -4.724 -0.160
136 HB2 LYS 23 1HB LYS 23 -2.227 -6.486 1.410
137 HB3 LYS 23 2HB LYS 23 -0.873 -7.387 0.741
138 HG2 LYS 23 1HG LYS 23 -0.015 -6.508 2.702
139 HG3 LYS 23 2HG LYS 23 0.553 -5.375 1.473
140 HD2 LYS 23 1HD LYS 23 -1.149 -3.798 2.039
141 HD3 LYS 23 2HD LYS 23 -1.956 -4.962 3.092
142 HE2 LYS 23 1HE LYS 23 0.375 -4.976 4.310
143 HE3 LYS 23 2HE LYS 23 0.544 -3.400 3.539
144 HZ1 LYS 23 3HZ LYS 23 -1.730 -4.198 5.275
145 HZ2 LYS 23 1HZ LYS 23 -1.468 -2.668 4.602
146 HZ3 LYS 23 2HZ LYS 23 -0.411 -3.266 5.779
147 H SER 24 H SER 24 0.120 -6.750 -2.042
148 HA SER 24 HA SER 24 2.514 -5.240 -1.456
149 HB2 SER 24 1HB SER 24 3.662 -6.850 -2.640
150 HB3 SER 24 2HB SER 24 2.234 -7.778 -2.180
151 HG SER 24 HG SER 24 2.007 -8.071 -4.243
152 H GLN 25 H GLN 25 0.055 -5.362 -3.941
153 HA GLN 25 HA GLN 25 1.409 -3.818 -5.886
154 HB2 GLN 25 1HB GLN 25 -1.468 -4.508 -5.391
155 HB3 GLN 25 2HB GLN 25 -1.039 -3.342 -6.636
156 HG2 GLN 25 1HG GLN 25 0.620 -5.280 -7.348
157 HG3 GLN 25 2HG GLN 25 -0.593 -6.268 -6.536
158 HE21 GLN 25 1HE2 GLN 25 -2.807 -6.068 -7.270
159 HE22 GLN 25 2HE2 GLN 25 -3.118 -5.695 -8.928
160 H LEU 26 H LEU 26 -0.216 -3.003 -2.961
161 HA LEU 26 HA LEU 26 -0.581 -0.218 -3.682
162 HB2 LEU 26 1HB LEU 26 -2.286 -1.041 -2.309
163 HB3 LEU 26 2HB LEU 26 -1.149 -1.851 -1.234
164 HG LEU 26 HG LEU 26 -0.424 0.367 -0.401
165 HD11 LEU 26 1HD1 LEU 26 -2.821 1.600 -1.665
166 HD12 LEU 26 2HD1 LEU 26 -1.336 1.459 -2.605
167 HD13 LEU 26 3HD1 LEU 26 -1.335 2.353 -1.085
168 HD21 LEU 26 3HD2 LEU 26 -3.388 0.249 -0.083
169 HD22 LEU 26 1HD2 LEU 26 -2.136 0.536 1.125
170 HD23 LEU 26 2HD2 LEU 26 -2.398 -1.091 0.497
171 H ILE 27 H ILE 27 1.403 -2.107 -1.422
172 HA ILE 27 HA ILE 27 2.799 -0.014 -0.239
173 HB ILE 27 HB ILE 27 3.837 -2.781 -0.864
174 HG12 ILE 27 1HG1 ILE 27 2.723 -1.844 1.769
175 HG13 ILE 27 2HG1 ILE 27 1.664 -2.478 0.514
176 HG21 ILE 27 1HG2 ILE 27 4.907 -1.698 1.531
177 HG22 ILE 27 2HG2 ILE 27 5.755 -2.156 0.055
178 HG23 ILE 27 3HG2 ILE 27 5.136 -0.515 0.244
179 HD11 ILE 27 3HD1 ILE 27 2.644 -4.022 2.395
180 HD12 ILE 27 1HD1 ILE 27 2.442 -4.606 0.743
181 HD13 ILE 27 2HD1 ILE 27 4.030 -4.085 1.306
182 H ILE 28 H ILE 28 3.654 -1.913 -3.123
183 HA ILE 28 HA ILE 28 6.074 -0.635 -3.695
184 HB ILE 28 HB ILE 28 4.113 -1.888 -5.620
185 HG12 ILE 28 1HG1 ILE 28 6.652 -3.130 -4.599
186 HG13 ILE 28 2HG1 ILE 28 5.161 -3.250 -3.671
187 HG21 ILE 28 1HG2 ILE 28 5.571 -0.504 -6.884
188 HG22 ILE 28 2HG2 ILE 28 6.978 -1.038 -5.966
189 HG23 ILE 28 3HG2 ILE 28 6.160 -2.158 -7.056
190 HD11 ILE 28 3HD1 ILE 28 4.392 -4.003 -6.201
191 HD12 ILE 28 1HD1 ILE 28 6.006 -4.695 -6.037
192 HD13 ILE 28 2HD1 ILE 28 4.756 -5.082 -4.854
193 H HIS 29 H HIS 29 2.762 0.233 -4.480
194 HA HIS 29 HA HIS 29 3.363 2.275 -6.345
195 HB2 HIS 29 1HB HIS 29 1.151 1.505 -6.414
196 HB3 HIS 29 2HB HIS 29 0.957 1.620 -4.667
197 HD1 HIS 29 HD1 HIS 29 1.318 3.910 -7.674
198 HD2 HIS 29 HD2 HIS 29 -0.255 3.904 -3.828
199 HE1 HIS 29 HE1 HIS 29 0.089 6.092 -7.446
200 H GLN 30 H GLN 30 2.476 2.445 -2.895
201 HA GLN 30 HA GLN 30 2.581 5.126 -2.453
202 HB2 GLN 30 1HB GLN 30 3.533 2.855 -0.718
203 HB3 GLN 30 2HB GLN 30 3.518 4.519 -0.151
204 HG2 GLN 30 1HG GLN 30 1.126 4.644 -0.472
205 HG3 GLN 30 2HG GLN 30 1.109 3.014 -1.142
206 HE21 GLN 30 1HE2 GLN 30 1.156 1.279 0.206
207 HE22 GLN 30 2HE2 GLN 30 1.076 1.400 1.927
208 H ARG 31 H ARG 31 5.216 3.060 -3.277
209 HA ARG 31 HA ARG 31 7.397 4.460 -2.278
210 HB2 ARG 31 1HB ARG 31 7.154 2.952 -4.888
211 HB3 ARG 31 2HB ARG 31 8.672 3.457 -4.158
212 HG2 ARG 31 1HG ARG 31 7.840 2.105 -2.106
213 HG3 ARG 31 2HG ARG 31 6.763 1.340 -3.277
214 HD2 ARG 31 1HD ARG 31 8.691 -0.020 -3.177
215 HD3 ARG 31 2HD ARG 31 8.815 0.893 -4.680
216 HE ARG 31 HE ARG 31 10.158 2.126 -2.456
217 HH11 ARG 31 1HH1 ARG 31 10.431 -0.176 -5.054
218 HH12 ARG 31 2HH1 ARG 31 12.159 -0.073 -5.138
219 HH21 ARG 31 1HH2 ARG 31 12.432 2.270 -2.557
220 HH22 ARG 31 2HH2 ARG 31 13.296 1.318 -3.716
221 H THR 32 H THR 32 5.538 4.987 -5.237
222 HA THR 32 HA THR 32 7.141 6.908 -6.449
223 HB THR 32 HB THR 32 5.183 7.629 -7.674
224 HG1 THR 32 HG1 THR 32 3.146 6.393 -6.876
225 HG21 THR 32 3HG2 THR 32 4.886 5.688 -8.812
226 HG22 THR 32 1HG2 THR 32 4.503 4.768 -7.359
227 HG23 THR 32 2HG2 THR 32 6.182 5.134 -7.753
228 H HIS 33 H HIS 33 4.731 7.244 -3.900
229 HA HIS 33 HA HIS 33 4.680 10.078 -3.872
230 HB2 HIS 33 1HB HIS 33 3.949 8.025 -1.781
231 HB3 HIS 33 2HB HIS 33 3.709 9.755 -1.559
232 HD1 HIS 33 HD1 HIS 33 2.353 10.748 -3.923
233 HD2 HIS 33 HD2 HIS 33 1.617 6.907 -2.521
234 HE1 HIS 33 HE1 HIS 33 0.113 10.105 -4.868
235 H THR 34 H THR 34 6.411 7.701 -1.872
236 HA THR 34 HA THR 34 7.876 9.759 -0.481
237 HB THR 34 HB THR 34 9.059 7.903 0.619
238 HG1 THR 34 HG1 THR 34 8.986 6.470 -1.239
239 HG21 THR 34 3HG2 THR 34 7.337 7.505 2.021
240 HG22 THR 34 1HG2 THR 34 6.300 6.892 0.734
241 HG23 THR 34 2HG2 THR 34 6.465 8.630 0.980
242 H GLY 35 H GLY 35 8.299 10.069 -3.180
243 HA2 GLY 35 1HA GLY 35 11.045 10.295 -3.398
244 HA3 GLY 35 2HA GLY 35 10.643 8.737 -4.105
245 H GLU 36 H GLU 36 9.448 12.098 -4.210
246 HA GLU 36 HA GLU 36 8.964 11.744 -7.086
247 HB2 GLU 36 1HB GLU 36 7.772 13.520 -4.994
248 HB3 GLU 36 2HB GLU 36 7.737 14.031 -6.676
249 HG2 GLU 36 1HG GLU 36 6.664 11.805 -7.196
250 HG3 GLU 36 2HG GLU 36 6.476 11.597 -5.456
251 H SER 37 H SER 37 10.163 14.217 -4.814
252 HA SER 37 HA SER 37 12.450 14.788 -6.408
253 HB2 SER 37 1HB SER 37 11.910 16.966 -7.225
254 HB3 SER 37 2HB SER 37 10.583 15.911 -7.709
255 HG SER 37 HG SER 37 9.384 16.713 -5.957
256 H GLY 38 H GLY 38 13.490 16.945 -5.583
257 HA2 GLY 38 1HA GLY 38 14.052 16.650 -2.875
258 HA3 GLY 38 2HA GLY 38 14.391 18.096 -3.814
259 HA PRO 39 HA PRO 39 11.532 20.238 -1.255
260 HB2 PRO 39 1HB PRO 39 11.007 22.353 -2.874
261 HB3 PRO 39 2HB PRO 39 12.535 22.165 -2.004
262 HG2 PRO 39 1HG PRO 39 11.893 21.543 -4.861
263 HG3 PRO 39 2HG PRO 39 13.328 22.335 -4.184
264 HD2 PRO 39 1HD PRO 39 13.310 19.727 -4.912
265 HD3 PRO 39 2HD PRO 39 14.294 20.336 -3.565
266 H SER 40 H SER 40 9.892 18.554 -1.443
267 HA SER 40 HA SER 40 8.017 18.469 -3.552
268 HB2 SER 40 1HB SER 40 8.280 16.571 -2.067
269 HB3 SER 40 2HB SER 40 7.792 17.542 -0.679
270 HG SER 40 HG SER 40 6.028 17.422 -2.828
271 H SER 41 H SER 41 5.936 19.292 -3.724
272 HA SER 41 HA SER 41 4.715 20.909 -1.734
273 HB2 SER 41 1HB SER 41 6.394 22.234 -3.806
274 HB3 SER 41 2HB SER 41 4.844 22.982 -3.421
275 HG SER 41 HG SER 41 6.330 22.206 -1.234
276 H GLY 42 H GLY 42 2.760 22.076 -2.643
277 HA2 GLY 42 1HA GLY 42 1.697 20.565 -4.951
278 HA3 GLY 42 2HA GLY 42 0.732 20.922 -3.526
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -17.803 -4.534 6.229
2 HA2 GLY 1 1HA GLY 1 -18.681 -3.706 3.702
3 HA3 GLY 1 2HA GLY 1 -16.992 -3.248 3.857
4 H SER 2 H SER 2 -19.235 -5.962 3.879
5 HA SER 2 HA SER 2 -17.223 -7.975 3.995
6 HB2 SER 2 1HB SER 2 -19.455 -8.533 4.707
7 HB3 SER 2 2HB SER 2 -20.124 -8.069 3.142
8 HG SER 2 HG SER 2 -19.770 -10.388 3.515
9 H SER 3 H SER 3 -15.693 -7.709 2.421
10 HA SER 3 HA SER 3 -15.789 -6.898 -0.123
11 HB2 SER 3 1HB SER 3 -13.794 -7.892 1.094
12 HB3 SER 3 2HB SER 3 -14.376 -9.475 0.580
13 HG SER 3 HG SER 3 -14.191 -8.754 -1.581
14 H GLY 4 H GLY 4 -16.615 -10.218 0.872
15 HA2 GLY 4 1HA GLY 4 -18.083 -11.725 -0.065
16 HA3 GLY 4 2HA GLY 4 -18.681 -10.422 -1.082
17 H SER 5 H SER 5 -18.721 -11.340 -3.055
18 HA SER 5 HA SER 5 -16.323 -12.752 -3.988
19 HB2 SER 5 1HB SER 5 -18.369 -14.022 -4.251
20 HB3 SER 5 2HB SER 5 -19.143 -12.676 -5.087
21 HG SER 5 HG SER 5 -17.468 -14.592 -6.057
22 H SER 6 H SER 6 -18.587 -10.191 -4.929
23 HA SER 6 HA SER 6 -17.668 -9.413 -7.354
24 HB2 SER 6 1HB SER 6 -19.509 -8.286 -6.164
25 HB3 SER 6 2HB SER 6 -18.343 -7.534 -5.076
26 HG SER 6 HG SER 6 -18.770 -7.064 -7.821
27 H GLY 7 H GLY 7 -16.000 -8.206 -8.204
28 HA2 GLY 7 1HA GLY 7 -13.496 -8.367 -6.896
29 HA3 GLY 7 2HA GLY 7 -13.824 -7.494 -8.386
30 H GLU 8 H GLU 8 -12.896 -7.187 -5.207
31 HA GLU 8 HA GLU 8 -13.341 -4.289 -5.314
32 HB2 GLU 8 1HB GLU 8 -14.213 -6.179 -3.189
33 HB3 GLU 8 2HB GLU 8 -13.565 -4.628 -2.673
34 HG2 GLU 8 1HG GLU 8 -15.802 -4.165 -2.814
35 HG3 GLU 8 2HG GLU 8 -15.241 -3.655 -4.406
36 H LYS 9 H LYS 9 -11.860 -3.054 -3.993
37 HA LYS 9 HA LYS 9 -9.323 -4.483 -3.547
38 HB2 LYS 9 1HB LYS 9 -9.769 -1.572 -4.235
39 HB3 LYS 9 2HB LYS 9 -8.204 -2.327 -3.963
40 HG2 LYS 9 1HG LYS 9 -8.353 -3.598 -5.931
41 HG3 LYS 9 2HG LYS 9 -10.080 -3.280 -6.101
42 HD2 LYS 9 1HD LYS 9 -9.615 -0.929 -6.550
43 HD3 LYS 9 2HD LYS 9 -7.887 -1.218 -6.334
44 HE2 LYS 9 1HE LYS 9 -7.788 -2.585 -8.272
45 HE3 LYS 9 2HE LYS 9 -9.545 -2.658 -8.393
46 HZ1 LYS 9 3HZ LYS 9 -9.368 -0.126 -8.662
47 HZ2 LYS 9 1HZ LYS 9 -8.961 -1.104 -9.981
48 HZ3 LYS 9 2HZ LYS 9 -7.743 -0.414 -9.031
49 HA PRO 10 HA PRO 10 -10.446 -3.341 0.697
50 HB2 PRO 10 1HB PRO 10 -8.795 -5.166 1.844
51 HB3 PRO 10 2HB PRO 10 -10.398 -5.577 1.224
52 HG2 PRO 10 1HG PRO 10 -7.719 -5.956 -0.055
53 HG3 PRO 10 2HG PRO 10 -9.097 -7.069 0.004
54 HD2 PRO 10 1HD PRO 10 -8.537 -5.560 -2.173
55 HD3 PRO 10 2HD PRO 10 -10.196 -6.001 -1.718
56 H TYR 11 H TYR 11 -7.644 -3.017 -1.133
57 HA TYR 11 HA TYR 11 -6.253 -1.637 1.069
58 HB2 TYR 11 1HB TYR 11 -5.002 -2.755 -1.446
59 HB3 TYR 11 2HB TYR 11 -4.161 -2.081 -0.054
60 HD1 TYR 11 HD2 TYR 11 -3.938 -3.359 2.004
61 HD2 TYR 11 HD1 TYR 11 -5.954 -4.987 -1.370
62 HE1 TYR 11 HE2 TYR 11 -3.810 -5.598 3.015
63 HE2 TYR 11 HE1 TYR 11 -5.833 -7.230 -0.368
64 HH TYR 11 HH TYR 11 -4.413 -8.428 1.299
65 H GLU 12 H GLU 12 -6.047 0.495 0.909
66 HA GLU 12 HA GLU 12 -6.157 1.739 -1.751
67 HB2 GLU 12 1HB GLU 12 -7.895 2.258 0.609
68 HB3 GLU 12 2HB GLU 12 -7.389 3.645 -0.347
69 HG2 GLU 12 1HG GLU 12 -9.357 3.107 -1.370
70 HG3 GLU 12 2HG GLU 12 -8.214 2.196 -2.354
71 H CYS 13 H CYS 13 -4.955 3.617 -2.007
72 HA CYS 13 HA CYS 13 -2.776 3.922 -0.134
73 HB2 CYS 13 1HB CYS 13 -2.360 3.947 -2.562
74 HB3 CYS 13 2HB CYS 13 -3.356 5.390 -2.716
75 H THR 14 H THR 14 -2.936 5.189 1.583
76 HA THR 14 HA THR 14 -4.976 7.149 1.890
77 HB THR 14 HB THR 14 -3.773 7.744 3.998
78 HG1 THR 14 HG1 THR 14 -1.684 6.882 2.889
79 HG21 THR 14 3HG2 THR 14 -5.394 5.721 3.609
80 HG22 THR 14 1HG2 THR 14 -4.524 5.881 5.134
81 HG23 THR 14 2HG2 THR 14 -3.943 4.763 3.900
82 H ASP 15 H ASP 15 -1.954 7.212 0.379
83 HA ASP 15 HA ASP 15 -1.212 9.909 0.906
84 HB2 ASP 15 1HB ASP 15 0.197 7.916 -0.048
85 HB3 ASP 15 2HB ASP 15 -0.408 8.480 -1.603
86 H CYS 16 H CYS 16 -2.685 8.352 -1.944
87 HA CYS 16 HA CYS 16 -3.708 10.999 -2.739
88 HB2 CYS 16 1HB CYS 16 -3.777 10.092 -5.055
89 HB3 CYS 16 2HB CYS 16 -2.149 10.157 -4.387
90 H GLY 17 H GLY 17 -4.453 7.552 -2.494
91 HA2 GLY 17 1HA GLY 17 -6.711 7.114 -1.520
92 HA3 GLY 17 2HA GLY 17 -7.317 8.250 -2.716
93 H LYS 18 H LYS 18 -4.782 6.291 -3.846
94 HA LYS 18 HA LYS 18 -6.368 5.086 -5.838
95 HB2 LYS 18 1HB LYS 18 -3.757 5.506 -5.640
96 HB3 LYS 18 2HB LYS 18 -3.770 3.857 -5.032
97 HG2 LYS 18 1HG LYS 18 -4.356 2.967 -7.046
98 HG3 LYS 18 2HG LYS 18 -5.215 4.419 -7.563
99 HD2 LYS 18 1HD LYS 18 -2.766 5.439 -7.470
100 HD3 LYS 18 2HD LYS 18 -2.324 3.751 -7.733
101 HE2 LYS 18 1HE LYS 18 -4.411 5.045 -9.441
102 HE3 LYS 18 2HE LYS 18 -2.702 5.323 -9.772
103 HZ1 LYS 18 3HZ LYS 18 -4.050 3.311 -10.816
104 HZ2 LYS 18 1HZ LYS 18 -3.530 2.556 -9.394
105 HZ3 LYS 18 2HZ LYS 18 -2.398 3.210 -10.467
106 H ALA 19 H ALA 19 -6.106 2.562 -6.153
107 HA ALA 19 HA ALA 19 -6.661 1.166 -3.636
108 HB1 ALA 19 3HB ALA 19 -8.568 -0.014 -4.857
109 HB2 ALA 19 1HB ALA 19 -8.853 1.638 -4.308
110 HB3 ALA 19 2HB ALA 19 -8.495 1.321 -6.007
111 H PHE 20 H PHE 20 -6.380 -1.117 -3.731
112 HA PHE 20 HA PHE 20 -5.324 -2.295 -6.156
113 HB2 PHE 20 1HB PHE 20 -3.609 -2.153 -3.668
114 HB3 PHE 20 2HB PHE 20 -3.197 -2.970 -5.172
115 HD1 PHE 20 HD1 PHE 20 -3.645 0.291 -3.547
116 HD2 PHE 20 HD2 PHE 20 -2.401 -1.753 -7.067
117 HE1 PHE 20 HE1 PHE 20 -2.609 2.361 -4.379
118 HE2 PHE 20 HE2 PHE 20 -1.362 0.314 -7.904
119 HZ PHE 20 HZ PHE 20 -1.465 2.374 -6.559
120 H GLY 21 H GLY 21 -6.157 -4.266 -6.304
121 HA2 GLY 21 1HA GLY 21 -7.646 -5.484 -4.260
122 HA3 GLY 21 2HA GLY 21 -7.099 -6.278 -5.730
123 H LEU 22 H LEU 22 -4.280 -5.376 -4.706
124 HA LEU 22 HA LEU 22 -3.930 -7.681 -2.903
125 HB2 LEU 22 1HB LEU 22 -2.378 -6.711 -5.235
126 HB3 LEU 22 2HB LEU 22 -1.467 -7.378 -3.882
127 HG LEU 22 HG LEU 22 -3.456 -8.766 -5.659
128 HD11 LEU 22 1HD1 LEU 22 -1.355 -10.391 -5.499
129 HD12 LEU 22 2HD1 LEU 22 -0.536 -8.863 -5.182
130 HD13 LEU 22 3HD1 LEU 22 -1.452 -9.079 -6.673
131 HD21 LEU 22 3HD2 LEU 22 -2.741 -9.333 -2.860
132 HD22 LEU 22 1HD2 LEU 22 -2.644 -10.704 -3.965
133 HD23 LEU 22 2HD2 LEU 22 -4.158 -9.815 -3.794
134 H LYS 23 H LYS 23 -1.963 -7.508 -1.495
135 HA LYS 23 HA LYS 23 -1.956 -4.890 -0.228
136 HB2 LYS 23 1HB LYS 23 -2.247 -6.792 1.228
137 HB3 LYS 23 2HB LYS 23 -0.790 -7.551 0.601
138 HG2 LYS 23 1HG LYS 23 0.040 -6.698 2.532
139 HG3 LYS 23 2HG LYS 23 0.318 -5.314 1.472
140 HD2 LYS 23 1HD LYS 23 -1.984 -4.500 2.221
141 HD3 LYS 23 2HD LYS 23 -1.871 -5.717 3.495
142 HE2 LYS 23 1HE LYS 23 0.115 -4.693 4.372
143 HE3 LYS 23 2HE LYS 23 0.195 -3.575 3.012
144 HZ1 LYS 23 3HZ LYS 23 -1.595 -2.365 3.794
145 HZ2 LYS 23 1HZ LYS 23 -0.784 -2.762 5.224
146 HZ3 LYS 23 2HZ LYS 23 -2.169 -3.620 4.772
147 H SER 24 H SER 24 0.141 -6.948 -2.095
148 HA SER 24 HA SER 24 2.526 -5.432 -1.511
149 HB2 SER 24 1HB SER 24 2.821 -7.770 -1.975
150 HB3 SER 24 2HB SER 24 1.939 -7.637 -3.497
151 HG SER 24 HG SER 24 3.864 -7.355 -4.299
152 H GLN 25 H GLN 25 -0.002 -5.410 -3.885
153 HA GLN 25 HA GLN 25 1.356 -3.962 -5.907
154 HB2 GLN 25 1HB GLN 25 -1.518 -4.516 -5.276
155 HB3 GLN 25 2HB GLN 25 -1.115 -3.325 -6.505
156 HG2 GLN 25 1HG GLN 25 0.414 -5.283 -7.396
157 HG3 GLN 25 2HG GLN 25 -0.759 -6.268 -6.523
158 HE21 GLN 25 1HE2 GLN 25 -2.085 -7.104 -7.968
159 HE22 GLN 25 2HE2 GLN 25 -2.872 -6.242 -9.242
160 H LEU 26 H LEU 26 -0.261 -3.039 -2.969
161 HA LEU 26 HA LEU 26 -0.408 -0.241 -3.666
162 HB2 LEU 26 1HB LEU 26 -2.126 -0.973 -2.248
163 HB3 LEU 26 2HB LEU 26 -1.004 -1.828 -1.191
164 HG LEU 26 HG LEU 26 -0.150 0.353 -0.396
165 HD11 LEU 26 1HD1 LEU 26 -0.511 1.932 -2.019
166 HD12 LEU 26 2HD1 LEU 26 -1.842 2.281 -0.918
167 HD13 LEU 26 3HD1 LEU 26 -2.134 1.347 -2.385
168 HD21 LEU 26 3HD2 LEU 26 -3.074 -0.280 -0.116
169 HD22 LEU 26 1HD2 LEU 26 -2.295 1.010 0.800
170 HD23 LEU 26 2HD2 LEU 26 -1.755 -0.658 0.993
171 H ILE 27 H ILE 27 1.450 -2.199 -1.344
172 HA ILE 27 HA ILE 27 3.010 -0.239 -0.210
173 HB ILE 27 HB ILE 27 3.914 -3.024 -0.953
174 HG12 ILE 27 1HG1 ILE 27 2.871 -2.114 1.722
175 HG13 ILE 27 2HG1 ILE 27 1.791 -2.721 0.472
176 HG21 ILE 27 1HG2 ILE 27 5.413 -0.914 0.046
177 HG22 ILE 27 2HG2 ILE 27 5.030 -1.891 1.462
178 HG23 ILE 27 3HG2 ILE 27 5.844 -2.624 0.080
179 HD11 ILE 27 3HD1 ILE 27 3.103 -4.212 2.380
180 HD12 ILE 27 1HD1 ILE 27 2.313 -4.827 0.928
181 HD13 ILE 27 2HD1 ILE 27 4.043 -4.483 0.913
182 H ILE 28 H ILE 28 3.492 -1.903 -3.290
183 HA ILE 28 HA ILE 28 6.016 -0.718 -3.854
184 HB ILE 28 HB ILE 28 4.005 -1.942 -5.746
185 HG12 ILE 28 1HG1 ILE 28 6.542 -3.263 -4.863
186 HG13 ILE 28 2HG1 ILE 28 5.147 -3.291 -3.790
187 HG21 ILE 28 1HG2 ILE 28 5.799 -2.099 -7.343
188 HG22 ILE 28 2HG2 ILE 28 5.627 -0.420 -6.835
189 HG23 ILE 28 3HG2 ILE 28 6.938 -1.407 -6.188
190 HD11 ILE 28 3HD1 ILE 28 5.035 -5.285 -4.996
191 HD12 ILE 28 1HD1 ILE 28 3.853 -4.227 -5.768
192 HD13 ILE 28 2HD1 ILE 28 5.427 -4.489 -6.520
193 H HIS 29 H HIS 29 2.712 0.260 -4.327
194 HA HIS 29 HA HIS 29 3.267 2.300 -6.256
195 HB2 HIS 29 1HB HIS 29 1.058 1.569 -6.339
196 HB3 HIS 29 2HB HIS 29 0.892 1.552 -4.586
197 HD1 HIS 29 HD1 HIS 29 1.014 3.978 -7.481
198 HD2 HIS 29 HD2 HIS 29 -0.151 3.841 -3.495
199 HE1 HIS 29 HE1 HIS 29 -0.184 6.148 -7.056
200 H GLN 30 H GLN 30 2.668 2.276 -2.757
201 HA GLN 30 HA GLN 30 2.715 4.999 -2.270
202 HB2 GLN 30 1HB GLN 30 3.632 2.674 -0.587
203 HB3 GLN 30 2HB GLN 30 3.629 4.326 0.015
204 HG2 GLN 30 1HG GLN 30 1.141 4.306 -0.744
205 HG3 GLN 30 2HG GLN 30 1.332 2.555 -0.668
206 HE21 GLN 30 1HE2 GLN 30 0.546 1.790 1.148
207 HE22 GLN 30 2HE2 GLN 30 0.688 2.514 2.710
208 H ARG 31 H ARG 31 5.228 3.022 -3.398
209 HA ARG 31 HA ARG 31 7.470 4.342 -2.297
210 HB2 ARG 31 1HB ARG 31 7.294 2.910 -4.954
211 HB3 ARG 31 2HB ARG 31 8.756 3.242 -4.035
212 HG2 ARG 31 1HG ARG 31 8.005 1.759 -2.263
213 HG3 ARG 31 2HG ARG 31 6.503 1.456 -3.140
214 HD2 ARG 31 1HD ARG 31 7.569 0.225 -4.794
215 HD3 ARG 31 2HD ARG 31 9.144 0.936 -4.444
216 HE ARG 31 HE ARG 31 8.088 -1.423 -3.319
217 HH11 ARG 31 1HH1 ARG 31 9.893 1.424 -2.449
218 HH12 ARG 31 2HH1 ARG 31 10.730 0.653 -1.143
219 HH21 ARG 31 1HH2 ARG 31 9.183 -2.449 -1.602
220 HH22 ARG 31 2HH2 ARG 31 10.326 -1.551 -0.662
221 H THR 32 H THR 32 5.890 4.682 -5.473
222 HA THR 32 HA THR 32 7.471 6.721 -6.493
223 HB THR 32 HB THR 32 5.656 5.414 -7.708
224 HG1 THR 32 HG1 THR 32 6.783 7.556 -8.327
225 HG21 THR 32 3HG2 THR 32 3.765 7.611 -7.084
226 HG22 THR 32 1HG2 THR 32 3.962 6.353 -5.865
227 HG23 THR 32 2HG2 THR 32 3.447 5.927 -7.497
228 H HIS 33 H HIS 33 5.070 6.829 -4.017
229 HA HIS 33 HA HIS 33 4.506 9.624 -4.181
230 HB2 HIS 33 1HB HIS 33 3.914 7.430 -2.251
231 HB3 HIS 33 2HB HIS 33 3.781 9.089 -1.677
232 HD1 HIS 33 HD1 HIS 33 2.290 10.617 -3.574
233 HD2 HIS 33 HD2 HIS 33 1.542 6.551 -3.166
234 HE1 HIS 33 HE1 HIS 33 -0.019 10.262 -4.505
235 H THR 34 H THR 34 6.337 7.721 -1.780
236 HA THR 34 HA THR 34 7.390 9.772 -0.292
237 HB THR 34 HB THR 34 9.257 8.285 0.285
238 HG1 THR 34 HG1 THR 34 8.303 6.289 -1.434
239 HG21 THR 34 3HG2 THR 34 6.762 7.929 1.011
240 HG22 THR 34 1HG2 THR 34 7.986 6.724 1.410
241 HG23 THR 34 2HG2 THR 34 6.903 6.462 0.043
242 H GLY 35 H GLY 35 8.556 8.511 -3.380
243 HA2 GLY 35 1HA GLY 35 11.017 9.676 -3.617
244 HA3 GLY 35 2HA GLY 35 9.900 9.507 -4.964
245 H GLU 36 H GLU 36 7.887 11.267 -4.078
246 HA GLU 36 HA GLU 36 9.240 13.807 -4.582
247 HB2 GLU 36 1HB GLU 36 6.447 12.803 -4.943
248 HB3 GLU 36 2HB GLU 36 6.716 14.533 -4.784
249 HG2 GLU 36 1HG GLU 36 8.516 14.102 -6.642
250 HG3 GLU 36 2HG GLU 36 7.529 12.677 -6.960
251 H SER 37 H SER 37 6.857 12.399 -2.356
252 HA SER 37 HA SER 37 6.571 14.683 -0.727
253 HB2 SER 37 1HB SER 37 5.163 12.460 -0.869
254 HB3 SER 37 2HB SER 37 6.258 11.928 0.407
255 HG SER 37 HG SER 37 5.044 14.436 0.650
256 H GLY 38 H GLY 38 7.129 14.532 1.714
257 HA2 GLY 38 1HA GLY 38 8.698 14.145 3.407
258 HA3 GLY 38 2HA GLY 38 9.708 13.295 2.247
259 HA PRO 39 HA PRO 39 10.472 18.094 1.878
260 HB2 PRO 39 1HB PRO 39 9.977 19.450 4.177
261 HB3 PRO 39 2HB PRO 39 8.772 19.255 2.899
262 HG2 PRO 39 1HG PRO 39 9.088 17.728 5.455
263 HG3 PRO 39 2HG PRO 39 7.609 18.346 4.696
264 HD2 PRO 39 1HD PRO 39 8.371 15.754 4.507
265 HD3 PRO 39 2HD PRO 39 7.486 16.586 3.212
266 H SER 40 H SER 40 11.097 15.989 4.528
267 HA SER 40 HA SER 40 13.807 17.109 4.761
268 HB2 SER 40 1HB SER 40 12.281 17.683 6.731
269 HB3 SER 40 2HB SER 40 12.313 15.964 7.121
270 HG SER 40 HG SER 40 13.993 17.604 8.005
271 H SER 41 H SER 41 11.876 14.307 5.840
272 HA SER 41 HA SER 41 13.636 12.485 4.456
273 HB2 SER 41 1HB SER 41 14.229 11.204 6.504
274 HB3 SER 41 2HB SER 41 14.927 12.823 6.491
275 HG SER 41 HG SER 41 12.518 12.926 7.636
276 H GLY 42 H GLY 42 12.963 10.133 5.039
277 HA2 GLY 42 1HA GLY 42 11.289 8.558 5.437
278 HA3 GLY 42 2HA GLY 42 10.199 9.863 5.879
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -19.938 8.305 -14.611
2 HA2 GLY 1 1HA GLY 1 -18.970 10.658 -13.860
3 HA3 GLY 1 2HA GLY 1 -20.086 9.793 -12.815
4 H SER 2 H SER 2 -16.654 9.283 -13.617
5 HA SER 2 HA SER 2 -14.834 8.943 -12.292
6 HB2 SER 2 1HB SER 2 -16.309 11.161 -10.930
7 HB3 SER 2 2HB SER 2 -14.903 10.458 -10.131
8 HG SER 2 HG SER 2 -14.319 10.902 -12.700
9 H SER 3 H SER 3 -16.805 7.010 -12.011
10 HA SER 3 HA SER 3 -16.890 6.453 -9.129
11 HB2 SER 3 1HB SER 3 -19.069 6.287 -10.041
12 HB3 SER 3 2HB SER 3 -18.496 5.408 -11.459
13 HG SER 3 HG SER 3 -18.483 3.598 -10.348
14 H GLY 4 H GLY 4 -16.051 4.960 -12.240
15 HA2 GLY 4 1HA GLY 4 -14.924 2.965 -12.661
16 HA3 GLY 4 2HA GLY 4 -13.712 3.796 -11.697
17 H SER 5 H SER 5 -16.508 1.632 -11.459
18 HA SER 5 HA SER 5 -15.362 0.555 -8.968
19 HB2 SER 5 1HB SER 5 -18.212 0.633 -9.967
20 HB3 SER 5 2HB SER 5 -17.704 -0.358 -8.600
21 HG SER 5 HG SER 5 -16.743 1.890 -7.966
22 H SER 6 H SER 6 -14.026 -1.030 -9.695
23 HA SER 6 HA SER 6 -15.304 -3.364 -10.870
24 HB2 SER 6 1HB SER 6 -13.685 -3.606 -12.659
25 HB3 SER 6 2HB SER 6 -14.454 -2.025 -12.797
26 HG SER 6 HG SER 6 -12.347 -1.720 -11.247
27 H GLY 7 H GLY 7 -14.731 -5.048 -9.676
28 HA2 GLY 7 1HA GLY 7 -13.419 -6.524 -8.489
29 HA3 GLY 7 2HA GLY 7 -12.011 -5.625 -9.035
30 H GLU 8 H GLU 8 -13.488 -6.632 -6.352
31 HA GLU 8 HA GLU 8 -13.555 -4.310 -4.723
32 HB2 GLU 8 1HB GLU 8 -13.595 -7.256 -4.224
33 HB3 GLU 8 2HB GLU 8 -13.296 -6.172 -2.872
34 HG2 GLU 8 1HG GLU 8 -15.680 -5.962 -4.692
35 HG3 GLU 8 2HG GLU 8 -15.674 -6.849 -3.169
36 H LYS 9 H LYS 9 -11.992 -3.282 -3.638
37 HA LYS 9 HA LYS 9 -9.350 -4.563 -3.435
38 HB2 LYS 9 1HB LYS 9 -9.843 -1.656 -4.106
39 HB3 LYS 9 2HB LYS 9 -8.274 -2.435 -3.942
40 HG2 LYS 9 1HG LYS 9 -8.764 -3.843 -5.873
41 HG3 LYS 9 2HG LYS 9 -10.346 -3.076 -6.033
42 HD2 LYS 9 1HD LYS 9 -9.196 -0.895 -6.341
43 HD3 LYS 9 2HD LYS 9 -7.651 -1.748 -6.317
44 HE2 LYS 9 1HE LYS 9 -8.430 -3.095 -8.253
45 HE3 LYS 9 2HE LYS 9 -9.889 -2.106 -8.308
46 HZ1 LYS 9 3HZ LYS 9 -8.355 -0.149 -8.554
47 HZ2 LYS 9 1HZ LYS 9 -8.407 -1.203 -9.876
48 HZ3 LYS 9 2HZ LYS 9 -7.097 -1.251 -8.807
49 HA PRO 10 HA PRO 10 -10.461 -3.385 0.804
50 HB2 PRO 10 1HB PRO 10 -8.763 -5.159 1.961
51 HB3 PRO 10 2HB PRO 10 -10.364 -5.611 1.364
52 HG2 PRO 10 1HG PRO 10 -7.690 -5.956 0.063
53 HG3 PRO 10 2HG PRO 10 -9.045 -7.096 0.153
54 HD2 PRO 10 1HD PRO 10 -8.537 -5.608 -2.051
55 HD3 PRO 10 2HD PRO 10 -10.182 -6.076 -1.573
56 H TYR 11 H TYR 11 -7.641 -3.099 -1.038
57 HA TYR 11 HA TYR 11 -6.278 -1.627 1.120
58 HB2 TYR 11 1HB TYR 11 -5.009 -2.772 -1.372
59 HB3 TYR 11 2HB TYR 11 -4.183 -2.075 0.017
60 HD1 TYR 11 HD2 TYR 11 -3.965 -3.328 2.093
61 HD2 TYR 11 HD1 TYR 11 -5.931 -5.015 -1.282
62 HE1 TYR 11 HE2 TYR 11 -3.819 -5.554 3.129
63 HE2 TYR 11 HE1 TYR 11 -5.791 -7.246 -0.255
64 HH TYR 11 HH TYR 11 -5.338 -8.373 1.645
65 H GLU 12 H GLU 12 -5.943 0.494 0.878
66 HA GLU 12 HA GLU 12 -6.111 1.675 -1.799
67 HB2 GLU 12 1HB GLU 12 -7.897 2.221 0.517
68 HB3 GLU 12 2HB GLU 12 -7.393 3.595 -0.457
69 HG2 GLU 12 1HG GLU 12 -9.326 3.016 -1.515
70 HG3 GLU 12 2HG GLU 12 -8.158 2.081 -2.447
71 H CYS 13 H CYS 13 -4.811 3.430 -2.126
72 HA CYS 13 HA CYS 13 -2.667 3.825 -0.284
73 HB2 CYS 13 1HB CYS 13 -2.572 3.980 -2.837
74 HB3 CYS 13 2HB CYS 13 -3.288 5.578 -2.657
75 H THR 14 H THR 14 -2.505 5.236 1.326
76 HA THR 14 HA THR 14 -4.669 7.086 1.829
77 HB THR 14 HB THR 14 -3.416 7.601 3.929
78 HG1 THR 14 HG1 THR 14 -1.693 5.484 3.118
79 HG21 THR 14 3HG2 THR 14 -3.637 5.251 4.880
80 HG22 THR 14 1HG2 THR 14 -4.086 4.745 3.252
81 HG23 THR 14 2HG2 THR 14 -5.073 5.926 4.112
82 H ASP 15 H ASP 15 -1.767 7.206 0.160
83 HA ASP 15 HA ASP 15 -1.049 9.922 0.783
84 HB2 ASP 15 1HB ASP 15 -0.053 7.815 -1.077
85 HB3 ASP 15 2HB ASP 15 0.342 9.492 -1.444
86 H CYS 16 H CYS 16 -2.511 8.266 -2.004
87 HA CYS 16 HA CYS 16 -3.448 10.891 -2.962
88 HB2 CYS 16 1HB CYS 16 -3.593 9.823 -5.208
89 HB3 CYS 16 2HB CYS 16 -1.953 9.881 -4.569
90 H GLY 17 H GLY 17 -4.336 7.459 -2.697
91 HA2 GLY 17 1HA GLY 17 -6.573 7.123 -1.612
92 HA3 GLY 17 2HA GLY 17 -7.169 8.294 -2.779
93 H LYS 18 H LYS 18 -4.760 6.108 -3.876
94 HA LYS 18 HA LYS 18 -6.514 5.002 -5.834
95 HB2 LYS 18 1HB LYS 18 -3.641 4.685 -5.107
96 HB3 LYS 18 2HB LYS 18 -4.384 3.426 -6.085
97 HG2 LYS 18 1HG LYS 18 -5.122 5.238 -7.665
98 HG3 LYS 18 2HG LYS 18 -4.097 6.344 -6.747
99 HD2 LYS 18 1HD LYS 18 -2.155 5.361 -7.473
100 HD3 LYS 18 2HD LYS 18 -2.917 3.788 -7.720
101 HE2 LYS 18 1HE LYS 18 -3.680 4.334 -9.804
102 HE3 LYS 18 2HE LYS 18 -3.809 6.051 -9.426
103 HZ1 LYS 18 3HZ LYS 18 -1.960 6.206 -10.651
104 HZ2 LYS 18 1HZ LYS 18 -1.580 4.564 -10.502
105 HZ3 LYS 18 2HZ LYS 18 -1.161 5.644 -9.270
106 H ALA 19 H ALA 19 -6.370 2.496 -6.176
107 HA ALA 19 HA ALA 19 -6.777 1.118 -3.612
108 HB1 ALA 19 3HB ALA 19 -8.983 1.693 -4.373
109 HB2 ALA 19 1HB ALA 19 -8.645 1.043 -5.977
110 HB3 ALA 19 2HB ALA 19 -8.743 -0.041 -4.588
111 H PHE 20 H PHE 20 -6.431 -1.141 -3.652
112 HA PHE 20 HA PHE 20 -5.446 -2.362 -6.093
113 HB2 PHE 20 1HB PHE 20 -3.674 -2.181 -3.648
114 HB3 PHE 20 2HB PHE 20 -3.290 -2.996 -5.161
115 HD1 PHE 20 HD1 PHE 20 -3.987 0.323 -3.674
116 HD2 PHE 20 HD2 PHE 20 -2.301 -1.835 -6.932
117 HE1 PHE 20 HE1 PHE 20 -2.995 2.404 -4.534
118 HE2 PHE 20 HE2 PHE 20 -1.306 0.242 -7.797
119 HZ PHE 20 HZ PHE 20 -1.651 2.365 -6.597
120 H GLY 21 H GLY 21 -6.184 -4.377 -6.191
121 HA2 GLY 21 1HA GLY 21 -7.676 -5.568 -4.137
122 HA3 GLY 21 2HA GLY 21 -7.073 -6.397 -5.565
123 H LEU 22 H LEU 22 -4.268 -5.642 -4.790
124 HA LEU 22 HA LEU 22 -3.909 -7.779 -2.804
125 HB2 LEU 22 1HB LEU 22 -2.351 -6.847 -5.147
126 HB3 LEU 22 2HB LEU 22 -1.443 -7.462 -3.767
127 HG LEU 22 HG LEU 22 -3.388 -8.929 -5.527
128 HD11 LEU 22 1HD1 LEU 22 -1.261 -10.515 -5.294
129 HD12 LEU 22 2HD1 LEU 22 -0.473 -8.963 -5.015
130 HD13 LEU 22 3HD1 LEU 22 -1.369 -9.241 -6.508
131 HD21 LEU 22 3HD2 LEU 22 -2.710 -9.402 -2.705
132 HD22 LEU 22 1HD2 LEU 22 -2.556 -10.804 -3.764
133 HD23 LEU 22 2HD2 LEU 22 -4.095 -9.949 -3.651
134 H LYS 23 H LYS 23 -1.943 -7.528 -1.395
135 HA LYS 23 HA LYS 23 -2.003 -4.879 -0.195
136 HB2 LYS 23 1HB LYS 23 -2.258 -6.704 1.336
137 HB3 LYS 23 2HB LYS 23 -0.831 -7.513 0.701
138 HG2 LYS 23 1HG LYS 23 0.025 -6.619 2.613
139 HG3 LYS 23 2HG LYS 23 0.365 -5.306 1.483
140 HD2 LYS 23 1HD LYS 23 -1.869 -4.322 2.191
141 HD3 LYS 23 2HD LYS 23 -1.854 -5.498 3.506
142 HE2 LYS 23 1HE LYS 23 0.183 -4.578 4.381
143 HE3 LYS 23 2HE LYS 23 0.356 -3.516 2.985
144 HZ1 LYS 23 3HZ LYS 23 -1.895 -3.379 4.914
145 HZ2 LYS 23 1HZ LYS 23 -1.570 -2.296 3.656
146 HZ3 LYS 23 2HZ LYS 23 -0.523 -2.393 4.981
147 H SER 24 H SER 24 0.153 -6.943 -1.988
148 HA SER 24 HA SER 24 2.500 -5.363 -1.433
149 HB2 SER 24 1HB SER 24 2.924 -7.663 -1.836
150 HB3 SER 24 2HB SER 24 1.938 -7.667 -3.299
151 HG SER 24 HG SER 24 3.606 -7.015 -4.389
152 H GLN 25 H GLN 25 0.028 -5.517 -3.884
153 HA GLN 25 HA GLN 25 1.360 -4.060 -5.902
154 HB2 GLN 25 1HB GLN 25 -1.512 -4.666 -5.298
155 HB3 GLN 25 2HB GLN 25 -1.110 -3.514 -6.565
156 HG2 GLN 25 1HG GLN 25 0.478 -5.477 -7.344
157 HG3 GLN 25 2HG GLN 25 -0.700 -6.448 -6.463
158 HE21 GLN 25 1HE2 GLN 25 -2.341 -7.154 -7.610
159 HE22 GLN 25 2HE2 GLN 25 -2.969 -6.433 -9.048
160 H LEU 26 H LEU 26 -0.375 -3.106 -3.033
161 HA LEU 26 HA LEU 26 -0.581 -0.336 -3.797
162 HB2 LEU 26 1HB LEU 26 -2.288 -1.122 -2.378
163 HB3 LEU 26 2HB LEU 26 -1.133 -1.853 -1.265
164 HG LEU 26 HG LEU 26 -0.418 0.415 -0.580
165 HD11 LEU 26 1HD1 LEU 26 -1.148 2.305 -1.535
166 HD12 LEU 26 2HD1 LEU 26 -2.796 1.701 -1.708
167 HD13 LEU 26 3HD1 LEU 26 -1.566 1.261 -2.894
168 HD21 LEU 26 3HD2 LEU 26 -2.325 0.875 0.797
169 HD22 LEU 26 1HD2 LEU 26 -2.172 -0.874 0.627
170 HD23 LEU 26 2HD2 LEU 26 -3.390 -0.002 -0.303
171 H ILE 27 H ILE 27 1.342 -2.194 -1.453
172 HA ILE 27 HA ILE 27 2.815 -0.149 -0.333
173 HB ILE 27 HB ILE 27 3.803 -2.923 -1.005
174 HG12 ILE 27 1HG1 ILE 27 2.759 -1.969 1.653
175 HG13 ILE 27 2HG1 ILE 27 1.680 -2.625 0.427
176 HG21 ILE 27 1HG2 ILE 27 5.773 -2.120 -0.320
177 HG22 ILE 27 2HG2 ILE 27 5.048 -0.647 0.322
178 HG23 ILE 27 3HG2 ILE 27 5.064 -2.118 1.295
179 HD11 ILE 27 3HD1 ILE 27 3.119 -4.682 0.421
180 HD12 ILE 27 1HD1 ILE 27 3.930 -4.020 1.840
181 HD13 ILE 27 2HD1 ILE 27 2.206 -4.389 1.901
182 H ILE 28 H ILE 28 3.505 -1.964 -3.304
183 HA ILE 28 HA ILE 28 5.952 -0.701 -3.898
184 HB ILE 28 HB ILE 28 3.955 -2.018 -5.740
185 HG12 ILE 28 1HG1 ILE 28 6.611 -3.147 -4.928
186 HG13 ILE 28 2HG1 ILE 28 5.237 -3.287 -3.837
187 HG21 ILE 28 1HG2 ILE 28 5.825 -2.152 -7.348
188 HG22 ILE 28 2HG2 ILE 28 5.320 -0.495 -7.021
189 HG23 ILE 28 3HG2 ILE 28 6.786 -1.133 -6.278
190 HD11 ILE 28 3HD1 ILE 28 4.132 -4.745 -5.198
191 HD12 ILE 28 1HD1 ILE 28 4.895 -4.130 -6.664
192 HD13 ILE 28 2HD1 ILE 28 5.804 -5.170 -5.566
193 H HIS 29 H HIS 29 2.631 0.206 -4.469
194 HA HIS 29 HA HIS 29 3.159 2.227 -6.404
195 HB2 HIS 29 1HB HIS 29 0.947 1.489 -6.424
196 HB3 HIS 29 2HB HIS 29 0.815 1.526 -4.668
197 HD1 HIS 29 HD1 HIS 29 1.152 3.996 -7.540
198 HD2 HIS 29 HD2 HIS 29 -0.475 3.714 -3.728
199 HE1 HIS 29 HE1 HIS 29 -0.104 6.145 -7.184
200 H GLN 30 H GLN 30 2.412 2.379 -2.922
201 HA GLN 30 HA GLN 30 2.537 5.077 -2.501
202 HB2 GLN 30 1HB GLN 30 3.473 2.799 -0.766
203 HB3 GLN 30 2HB GLN 30 3.489 4.466 -0.208
204 HG2 GLN 30 1HG GLN 30 1.111 4.631 -0.441
205 HG3 GLN 30 2HG GLN 30 1.033 3.041 -1.199
206 HE21 GLN 30 1HE2 GLN 30 -0.598 3.181 0.758
207 HE22 GLN 30 2HE2 GLN 30 -0.009 2.455 2.211
208 H ARG 31 H ARG 31 5.108 2.984 -3.406
209 HA ARG 31 HA ARG 31 7.334 4.344 -2.424
210 HB2 ARG 31 1HB ARG 31 7.063 2.859 -5.045
211 HB3 ARG 31 2HB ARG 31 8.580 3.285 -4.263
212 HG2 ARG 31 1HG ARG 31 7.568 1.936 -2.258
213 HG3 ARG 31 2HG ARG 31 6.585 1.205 -3.528
214 HD2 ARG 31 1HD ARG 31 8.374 0.186 -4.517
215 HD3 ARG 31 2HD ARG 31 9.510 1.426 -3.988
216 HE ARG 31 HE ARG 31 8.460 -0.149 -1.832
217 HH11 ARG 31 1HH1 ARG 31 10.897 0.027 -4.312
218 HH12 ARG 31 2HH1 ARG 31 12.002 -1.019 -3.482
219 HH21 ARG 31 1HH2 ARG 31 9.906 -1.527 -0.730
220 HH22 ARG 31 2HH2 ARG 31 11.437 -1.903 -1.446
221 H THR 32 H THR 32 5.398 4.912 -5.316
222 HA THR 32 HA THR 32 7.028 6.792 -6.580
223 HB THR 32 HB THR 32 5.091 7.504 -7.808
224 HG1 THR 32 HG1 THR 32 3.346 7.757 -6.629
225 HG21 THR 32 3HG2 THR 32 4.762 4.577 -7.142
226 HG22 THR 32 1HG2 THR 32 5.949 5.228 -8.271
227 HG23 THR 32 2HG2 THR 32 4.226 5.389 -8.613
228 H HIS 33 H HIS 33 4.683 7.165 -3.979
229 HA HIS 33 HA HIS 33 4.660 10.001 -3.969
230 HB2 HIS 33 1HB HIS 33 3.937 7.955 -1.869
231 HB3 HIS 33 2HB HIS 33 3.746 9.689 -1.622
232 HD1 HIS 33 HD1 HIS 33 2.295 10.795 -3.815
233 HD2 HIS 33 HD2 HIS 33 1.625 6.852 -2.690
234 HE1 HIS 33 HE1 HIS 33 0.033 10.206 -4.744
235 H THR 34 H THR 34 6.313 7.650 -1.860
236 HA THR 34 HA THR 34 7.787 9.595 -0.427
237 HB THR 34 HB THR 34 9.177 7.700 0.350
238 HG1 THR 34 HG1 THR 34 9.244 6.367 -1.432
239 HG21 THR 34 3HG2 THR 34 6.195 7.576 0.409
240 HG22 THR 34 1HG2 THR 34 7.331 7.922 1.712
241 HG23 THR 34 2HG2 THR 34 7.123 6.267 1.140
242 H GLY 35 H GLY 35 8.670 10.952 -2.074
243 HA2 GLY 35 1HA GLY 35 11.338 10.549 -2.663
244 HA3 GLY 35 2HA GLY 35 10.455 9.954 -4.061
245 H GLU 36 H GLU 36 11.715 11.699 -5.121
246 HA GLU 36 HA GLU 36 10.476 14.340 -4.730
247 HB2 GLU 36 1HB GLU 36 13.016 14.035 -4.516
248 HB3 GLU 36 2HB GLU 36 13.015 13.816 -6.261
249 HG2 GLU 36 1HG GLU 36 11.784 16.062 -6.343
250 HG3 GLU 36 2HG GLU 36 12.321 16.258 -4.676
251 H SER 37 H SER 37 9.026 12.431 -6.119
252 HA SER 37 HA SER 37 9.347 13.185 -8.942
253 HB2 SER 37 1HB SER 37 8.098 11.225 -9.516
254 HB3 SER 37 2HB SER 37 9.286 10.735 -8.308
255 HG SER 37 HG SER 37 6.573 11.376 -7.769
256 H GLY 38 H GLY 38 7.876 14.423 -9.941
257 HA2 GLY 38 1HA GLY 38 5.311 14.712 -10.016
258 HA3 GLY 38 2HA GLY 38 5.539 15.267 -8.364
259 HA PRO 39 HA PRO 39 5.753 18.922 -11.235
260 HB2 PRO 39 1HB PRO 39 3.984 20.436 -9.839
261 HB3 PRO 39 2HB PRO 39 3.490 19.294 -11.095
262 HG2 PRO 39 1HG PRO 39 3.486 18.957 -8.120
263 HG3 PRO 39 2HG PRO 39 2.250 18.486 -9.301
264 HD2 PRO 39 1HD PRO 39 4.011 16.717 -8.251
265 HD3 PRO 39 2HD PRO 39 3.376 16.567 -9.903
266 H SER 40 H SER 40 6.893 20.806 -10.875
267 HA SER 40 HA SER 40 8.752 20.903 -8.836
268 HB2 SER 40 1HB SER 40 8.924 22.194 -10.941
269 HB3 SER 40 2HB SER 40 7.643 23.266 -10.373
270 HG SER 40 HG SER 40 9.105 23.617 -8.503
271 H SER 41 H SER 41 8.009 20.692 -6.775
272 HA SER 41 HA SER 41 6.817 23.041 -5.581
273 HB2 SER 41 1HB SER 41 5.421 20.359 -5.407
274 HB3 SER 41 2HB SER 41 4.972 21.807 -4.506
275 HG SER 41 HG SER 41 4.048 21.145 -6.805
276 H GLY 42 H GLY 42 6.914 23.018 -3.246
277 HA2 GLY 42 1HA GLY 42 7.980 20.925 -1.717
278 HA3 GLY 42 2HA GLY 42 9.316 21.929 -2.259
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -12.796 -13.700 -21.914
2 HA2 GLY 1 1HA GLY 1 -11.108 -15.862 -22.252
3 HA3 GLY 1 2HA GLY 1 -10.063 -14.505 -21.857
4 H SER 2 H SER 2 -10.027 -13.696 -19.788
5 HA SER 2 HA SER 2 -11.287 -15.410 -17.779
6 HB2 SER 2 1HB SER 2 -8.808 -14.949 -17.723
7 HB3 SER 2 2HB SER 2 -9.193 -13.271 -17.342
8 HG SER 2 HG SER 2 -9.069 -14.083 -15.375
9 H SER 3 H SER 3 -12.793 -14.715 -16.367
10 HA SER 3 HA SER 3 -13.284 -11.905 -15.930
11 HB2 SER 3 1HB SER 3 -14.559 -12.082 -17.937
12 HB3 SER 3 2HB SER 3 -15.254 -13.626 -17.441
13 HG SER 3 HG SER 3 -16.579 -11.634 -17.183
14 H GLY 4 H GLY 4 -13.953 -11.605 -13.900
15 HA2 GLY 4 1HA GLY 4 -15.881 -12.943 -12.490
16 HA3 GLY 4 2HA GLY 4 -14.417 -13.873 -12.206
17 H SER 5 H SER 5 -15.710 -10.570 -12.030
18 HA SER 5 HA SER 5 -13.820 -9.214 -10.681
19 HB2 SER 5 1HB SER 5 -16.104 -8.358 -11.259
20 HB3 SER 5 2HB SER 5 -16.727 -9.195 -9.837
21 HG SER 5 HG SER 5 -16.228 -7.391 -8.873
22 H SER 6 H SER 6 -12.548 -9.784 -9.056
23 HA SER 6 HA SER 6 -13.456 -11.686 -7.059
24 HB2 SER 6 1HB SER 6 -10.792 -10.418 -7.676
25 HB3 SER 6 2HB SER 6 -11.048 -11.366 -6.211
26 HG SER 6 HG SER 6 -10.690 -13.032 -7.426
27 H GLY 7 H GLY 7 -14.866 -9.293 -6.936
28 HA2 GLY 7 1HA GLY 7 -15.660 -7.906 -5.273
29 HA3 GLY 7 2HA GLY 7 -14.450 -8.587 -4.195
30 H GLU 8 H GLU 8 -14.959 -5.972 -3.930
31 HA GLU 8 HA GLU 8 -13.376 -4.278 -5.567
32 HB2 GLU 8 1HB GLU 8 -14.650 -3.954 -2.862
33 HB3 GLU 8 2HB GLU 8 -13.631 -2.696 -3.546
34 HG2 GLU 8 1HG GLU 8 -15.231 -3.009 -5.617
35 HG3 GLU 8 2HG GLU 8 -16.325 -3.621 -4.378
36 H LYS 9 H LYS 9 -11.647 -2.840 -4.443
37 HA LYS 9 HA LYS 9 -9.575 -4.653 -3.504
38 HB2 LYS 9 1HB LYS 9 -9.432 -1.720 -4.228
39 HB3 LYS 9 2HB LYS 9 -8.056 -2.751 -3.862
40 HG2 LYS 9 1HG LYS 9 -8.217 -3.903 -5.853
41 HG3 LYS 9 2HG LYS 9 -9.921 -3.496 -6.070
42 HD2 LYS 9 1HD LYS 9 -7.864 -1.327 -6.078
43 HD3 LYS 9 2HD LYS 9 -8.097 -2.317 -7.521
44 HE2 LYS 9 1HE LYS 9 -10.298 -0.826 -6.099
45 HE3 LYS 9 2HE LYS 9 -9.430 -0.214 -7.506
46 HZ1 LYS 9 3HZ LYS 9 -10.534 -1.578 -8.886
47 HZ2 LYS 9 1HZ LYS 9 -11.689 -1.619 -7.650
48 HZ3 LYS 9 2HZ LYS 9 -10.560 -2.869 -7.793
49 HA PRO 10 HA PRO 10 -10.550 -3.389 0.692
50 HB2 PRO 10 1HB PRO 10 -8.870 -5.168 1.867
51 HB3 PRO 10 2HB PRO 10 -10.462 -5.617 1.244
52 HG2 PRO 10 1HG PRO 10 -7.769 -5.959 -0.018
53 HG3 PRO 10 2HG PRO 10 -9.127 -7.098 0.048
54 HD2 PRO 10 1HD PRO 10 -8.585 -5.602 -2.143
55 HD3 PRO 10 2HD PRO 10 -10.237 -6.071 -1.691
56 H TYR 11 H TYR 11 -7.697 -3.107 -1.105
57 HA TYR 11 HA TYR 11 -6.343 -1.677 1.085
58 HB2 TYR 11 1HB TYR 11 -5.103 -2.738 -1.460
59 HB3 TYR 11 2HB TYR 11 -4.256 -2.060 -0.074
60 HD1 TYR 11 HD1 TYR 11 -6.094 -4.977 -1.342
61 HD2 TYR 11 HD2 TYR 11 -3.884 -3.367 1.918
62 HE1 TYR 11 HE1 TYR 11 -5.909 -7.226 -0.364
63 HE2 TYR 11 HE2 TYR 11 -3.692 -5.611 2.904
64 HH TYR 11 HH TYR 11 -4.042 -8.325 1.384
65 H GLU 12 H GLU 12 -6.032 0.454 0.924
66 HA GLU 12 HA GLU 12 -6.233 1.736 -1.704
67 HB2 GLU 12 1HB GLU 12 -7.990 2.186 0.655
68 HB3 GLU 12 2HB GLU 12 -7.507 3.596 -0.278
69 HG2 GLU 12 1HG GLU 12 -9.430 3.061 -1.358
70 HG3 GLU 12 2HG GLU 12 -8.288 2.106 -2.301
71 H CYS 13 H CYS 13 -4.950 3.514 -1.978
72 HA CYS 13 HA CYS 13 -2.794 3.854 -0.129
73 HB2 CYS 13 1HB CYS 13 -2.583 4.043 -2.624
74 HB3 CYS 13 2HB CYS 13 -3.466 5.563 -2.530
75 H THR 14 H THR 14 -2.697 5.178 1.552
76 HA THR 14 HA THR 14 -4.815 7.127 1.966
77 HB THR 14 HB THR 14 -3.941 7.359 4.227
78 HG1 THR 14 HG1 THR 14 -1.841 5.712 3.240
79 HG21 THR 14 3HG2 THR 14 -4.387 4.608 3.140
80 HG22 THR 14 1HG2 THR 14 -5.424 5.582 4.181
81 HG23 THR 14 2HG2 THR 14 -3.977 4.821 4.842
82 H ASP 15 H ASP 15 -2.627 7.517 -0.037
83 HA ASP 15 HA ASP 15 -1.580 10.063 1.015
84 HB2 ASP 15 1HB ASP 15 -0.271 7.909 -0.562
85 HB3 ASP 15 2HB ASP 15 0.161 9.570 -0.957
86 H CYS 16 H CYS 16 -2.918 8.349 -1.747
87 HA CYS 16 HA CYS 16 -3.521 10.955 -2.983
88 HB2 CYS 16 1HB CYS 16 -3.337 9.854 -5.193
89 HB3 CYS 16 2HB CYS 16 -1.815 9.839 -4.308
90 H GLY 17 H GLY 17 -4.532 7.612 -2.476
91 HA2 GLY 17 1HA GLY 17 -6.882 7.310 -1.809
92 HA3 GLY 17 2HA GLY 17 -7.300 8.465 -3.065
93 H LYS 18 H LYS 18 -4.816 6.209 -3.797
94 HA LYS 18 HA LYS 18 -6.353 5.082 -5.929
95 HB2 LYS 18 1HB LYS 18 -3.750 5.484 -5.677
96 HB3 LYS 18 2HB LYS 18 -3.787 3.855 -5.016
97 HG2 LYS 18 1HG LYS 18 -4.350 2.903 -7.016
98 HG3 LYS 18 2HG LYS 18 -5.146 4.361 -7.611
99 HD2 LYS 18 1HD LYS 18 -2.210 4.445 -7.123
100 HD3 LYS 18 2HD LYS 18 -2.802 3.591 -8.551
101 HE2 LYS 18 1HE LYS 18 -3.960 5.586 -9.297
102 HE3 LYS 18 2HE LYS 18 -3.479 6.442 -7.833
103 HZ1 LYS 18 3HZ LYS 18 -2.063 6.172 -10.243
104 HZ2 LYS 18 1HZ LYS 18 -1.167 5.433 -9.013
105 HZ3 LYS 18 2HZ LYS 18 -1.635 7.051 -8.863
106 H ALA 19 H ALA 19 -6.049 2.534 -6.176
107 HA ALA 19 HA ALA 19 -6.681 1.182 -3.661
108 HB1 ALA 19 3HB ALA 19 -8.820 1.950 -4.699
109 HB2 ALA 19 1HB ALA 19 -8.460 0.909 -6.077
110 HB3 ALA 19 2HB ALA 19 -8.700 0.205 -4.478
111 H PHE 20 H PHE 20 -6.381 -1.082 -3.709
112 HA PHE 20 HA PHE 20 -5.357 -2.305 -6.134
113 HB2 PHE 20 1HB PHE 20 -3.658 -2.167 -3.635
114 HB3 PHE 20 2HB PHE 20 -3.250 -3.013 -5.124
115 HD1 PHE 20 HD1 PHE 20 -3.700 0.293 -3.577
116 HD2 PHE 20 HD2 PHE 20 -2.368 -1.853 -7.002
117 HE1 PHE 20 HE1 PHE 20 -2.620 2.333 -4.430
118 HE2 PHE 20 HE2 PHE 20 -1.285 0.182 -7.861
119 HZ PHE 20 HZ PHE 20 -1.409 2.279 -6.574
120 H GLY 21 H GLY 21 -5.843 -4.425 -6.240
121 HA2 GLY 21 1HA GLY 21 -7.507 -5.564 -4.221
122 HA3 GLY 21 2HA GLY 21 -6.932 -6.373 -5.672
123 H LEU 22 H LEU 22 -4.142 -5.416 -4.575
124 HA LEU 22 HA LEU 22 -3.816 -7.679 -2.716
125 HB2 LEU 22 1HB LEU 22 -2.256 -6.838 -5.091
126 HB3 LEU 22 2HB LEU 22 -1.351 -7.457 -3.711
127 HG LEU 22 HG LEU 22 -3.363 -8.894 -5.420
128 HD11 LEU 22 1HD1 LEU 22 -0.444 -9.012 -4.943
129 HD12 LEU 22 2HD1 LEU 22 -1.367 -9.283 -6.421
130 HD13 LEU 22 3HD1 LEU 22 -1.286 -10.542 -5.189
131 HD21 LEU 22 3HD2 LEU 22 -2.629 -9.358 -2.602
132 HD22 LEU 22 1HD2 LEU 22 -2.597 -10.773 -3.654
133 HD23 LEU 22 2HD2 LEU 22 -4.078 -9.827 -3.493
134 H LYS 23 H LYS 23 -1.871 -7.477 -1.300
135 HA LYS 23 HA LYS 23 -1.826 -4.819 -0.136
136 HB2 LYS 23 1HB LYS 23 -2.082 -6.608 1.423
137 HB3 LYS 23 2HB LYS 23 -0.712 -7.480 0.747
138 HG2 LYS 23 1HG LYS 23 0.194 -6.603 2.663
139 HG3 LYS 23 2HG LYS 23 0.637 -5.376 1.473
140 HD2 LYS 23 1HD LYS 23 -1.273 -4.018 2.147
141 HD3 LYS 23 2HD LYS 23 -1.758 -5.256 3.309
142 HE2 LYS 23 1HE LYS 23 0.959 -3.986 3.410
143 HE3 LYS 23 2HE LYS 23 -0.438 -3.226 4.170
144 HZ1 LYS 23 3HZ LYS 23 1.171 -5.217 5.221
145 HZ2 LYS 23 1HZ LYS 23 -0.312 -5.957 4.883
146 HZ3 LYS 23 2HZ LYS 23 -0.255 -4.595 5.884
147 H SER 24 H SER 24 0.235 -6.907 -1.997
148 HA SER 24 HA SER 24 2.630 -5.377 -1.484
149 HB2 SER 24 1HB SER 24 2.811 -7.778 -1.906
150 HB3 SER 24 2HB SER 24 2.072 -7.573 -3.494
151 HG SER 24 HG SER 24 4.056 -7.318 -4.135
152 H GLN 25 H GLN 25 0.093 -5.481 -3.866
153 HA GLN 25 HA GLN 25 1.420 -4.045 -5.914
154 HB2 GLN 25 1HB GLN 25 -1.456 -4.619 -5.280
155 HB3 GLN 25 2HB GLN 25 -1.041 -3.501 -6.573
156 HG2 GLN 25 1HG GLN 25 0.508 -5.492 -7.332
157 HG3 GLN 25 2HG GLN 25 -0.654 -6.439 -6.404
158 HE21 GLN 25 1HE2 GLN 25 -2.214 -7.247 -7.588
159 HE22 GLN 25 2HE2 GLN 25 -2.910 -6.530 -8.997
160 H LEU 26 H LEU 26 -0.184 -3.092 -2.990
161 HA LEU 26 HA LEU 26 -0.430 -0.318 -3.762
162 HB2 LEU 26 1HB LEU 26 -2.114 -1.082 -2.312
163 HB3 LEU 26 2HB LEU 26 -0.950 -1.845 -1.231
164 HG LEU 26 HG LEU 26 -0.197 0.376 -0.496
165 HD11 LEU 26 1HD1 LEU 26 -0.832 1.513 -2.650
166 HD12 LEU 26 2HD1 LEU 26 -1.262 2.377 -1.175
167 HD13 LEU 26 3HD1 LEU 26 -2.499 1.499 -2.074
168 HD21 LEU 26 3HD2 LEU 26 -2.200 -0.943 0.487
169 HD22 LEU 26 1HD2 LEU 26 -3.176 0.342 -0.225
170 HD23 LEU 26 2HD2 LEU 26 -1.947 0.733 0.978
171 H ILE 27 H ILE 27 1.491 -2.152 -1.389
172 HA ILE 27 HA ILE 27 3.002 -0.128 -0.316
173 HB ILE 27 HB ILE 27 3.981 -2.899 -1.018
174 HG12 ILE 27 1HG1 ILE 27 2.988 -1.976 1.668
175 HG13 ILE 27 2HG1 ILE 27 1.874 -2.591 0.452
176 HG21 ILE 27 1HG2 ILE 27 5.115 -1.700 1.351
177 HG22 ILE 27 2HG2 ILE 27 5.921 -2.414 -0.045
178 HG23 ILE 27 3HG2 ILE 27 5.432 -0.720 -0.080
179 HD11 ILE 27 3HD1 ILE 27 2.996 -4.134 2.301
180 HD12 ILE 27 1HD1 ILE 27 2.579 -4.723 0.692
181 HD13 ILE 27 2HD1 ILE 27 4.239 -4.252 1.056
182 H ILE 28 H ILE 28 3.602 -1.902 -3.327
183 HA ILE 28 HA ILE 28 6.052 -0.635 -3.948
184 HB ILE 28 HB ILE 28 4.048 -1.915 -5.812
185 HG12 ILE 28 1HG1 ILE 28 6.616 -3.161 -4.889
186 HG13 ILE 28 2HG1 ILE 28 5.186 -3.246 -3.867
187 HG21 ILE 28 1HG2 ILE 28 5.317 -1.117 -7.453
188 HG22 ILE 28 2HG2 ILE 28 6.503 -0.487 -6.311
189 HG23 ILE 28 3HG2 ILE 28 6.614 -2.157 -6.866
190 HD11 ILE 28 3HD1 ILE 28 4.354 -4.007 -6.430
191 HD12 ILE 28 1HD1 ILE 28 5.887 -4.828 -6.140
192 HD13 ILE 28 2HD1 ILE 28 4.551 -5.027 -5.005
193 H HIS 29 H HIS 29 2.711 0.231 -4.490
194 HA HIS 29 HA HIS 29 3.191 2.256 -6.428
195 HB2 HIS 29 1HB HIS 29 0.984 1.595 -6.462
196 HB3 HIS 29 2HB HIS 29 0.890 1.447 -4.710
197 HD1 HIS 29 HD1 HIS 29 0.759 4.032 -7.448
198 HD2 HIS 29 HD2 HIS 29 -0.040 3.681 -3.386
199 HE1 HIS 29 HE1 HIS 29 -0.426 6.156 -6.810
200 H GLN 30 H GLN 30 2.477 2.423 -2.939
201 HA GLN 30 HA GLN 30 2.594 5.119 -2.528
202 HB2 GLN 30 1HB GLN 30 3.744 2.967 -0.743
203 HB3 GLN 30 2HB GLN 30 3.397 4.616 -0.239
204 HG2 GLN 30 1HG GLN 30 1.196 3.041 -1.451
205 HG3 GLN 30 2HG GLN 30 1.709 2.634 0.186
206 HE21 GLN 30 1HE2 GLN 30 -0.440 3.301 0.794
207 HE22 GLN 30 2HE2 GLN 30 -0.778 4.978 1.036
208 H ARG 31 H ARG 31 5.167 3.049 -3.473
209 HA ARG 31 HA ARG 31 7.411 4.373 -2.525
210 HB2 ARG 31 1HB ARG 31 7.028 2.987 -5.185
211 HB3 ARG 31 2HB ARG 31 8.585 3.433 -4.499
212 HG2 ARG 31 1HG ARG 31 7.861 2.001 -2.484
213 HG3 ARG 31 2HG ARG 31 6.660 1.333 -3.591
214 HD2 ARG 31 1HD ARG 31 8.433 -0.131 -3.842
215 HD3 ARG 31 2HD ARG 31 8.680 0.993 -5.178
216 HE ARG 31 HE ARG 31 10.602 1.739 -4.163
217 HH11 ARG 31 1HH1 ARG 31 8.778 -0.209 -1.928
218 HH12 ARG 31 2HH1 ARG 31 10.048 -0.280 -0.751
219 HH21 ARG 31 1HH2 ARG 31 12.282 1.652 -2.622
220 HH22 ARG 31 2HH2 ARG 31 12.040 0.779 -1.147
221 H THR 32 H THR 32 5.389 5.094 -5.321
222 HA THR 32 HA THR 32 6.991 7.037 -6.531
223 HB THR 32 HB THR 32 5.065 7.760 -7.720
224 HG1 THR 32 HG1 THR 32 3.552 8.141 -6.164
225 HG21 THR 32 3HG2 THR 32 3.828 5.297 -7.782
226 HG22 THR 32 1HG2 THR 32 5.452 4.915 -7.212
227 HG23 THR 32 2HG2 THR 32 5.231 5.771 -8.738
228 H HIS 33 H HIS 33 4.665 7.285 -3.891
229 HA HIS 33 HA HIS 33 4.668 10.115 -3.727
230 HB2 HIS 33 1HB HIS 33 3.945 7.967 -1.732
231 HB3 HIS 33 2HB HIS 33 3.767 9.686 -1.394
232 HD1 HIS 33 HD1 HIS 33 2.415 10.828 -3.735
233 HD2 HIS 33 HD2 HIS 33 1.513 7.008 -2.374
234 HE1 HIS 33 HE1 HIS 33 0.116 10.324 -4.622
235 H THR 34 H THR 34 6.216 7.694 -1.610
236 HA THR 34 HA THR 34 7.625 9.197 0.104
237 HB THR 34 HB THR 34 9.417 7.518 0.107
238 HG1 THR 34 HG1 THR 34 8.956 5.726 -1.523
239 HG21 THR 34 3HG2 THR 34 7.698 6.684 1.367
240 HG22 THR 34 1HG2 THR 34 7.767 5.444 0.116
241 HG23 THR 34 2HG2 THR 34 6.552 6.719 0.027
242 H GLY 35 H GLY 35 8.711 8.481 -3.213
243 HA2 GLY 35 1HA GLY 35 9.872 11.042 -3.565
244 HA3 GLY 35 2HA GLY 35 11.120 9.873 -3.157
245 H GLU 36 H GLU 36 8.839 10.924 -5.558
246 HA GLU 36 HA GLU 36 10.379 9.722 -7.648
247 HB2 GLU 36 1HB GLU 36 8.801 7.885 -6.684
248 HB3 GLU 36 2HB GLU 36 7.539 8.760 -7.540
249 HG2 GLU 36 1HG GLU 36 8.322 8.169 -9.592
250 HG3 GLU 36 2HG GLU 36 9.993 8.050 -9.045
251 H SER 37 H SER 37 10.188 10.890 -9.465
252 HA SER 37 HA SER 37 9.141 13.344 -9.665
253 HB2 SER 37 1HB SER 37 9.021 13.048 -12.121
254 HB3 SER 37 2HB SER 37 10.497 12.361 -11.444
255 HG SER 37 HG SER 37 9.523 10.312 -11.563
256 H GLY 38 H GLY 38 7.215 14.337 -9.892
257 HA2 GLY 38 1HA GLY 38 4.938 13.934 -11.046
258 HA3 GLY 38 2HA GLY 38 4.834 12.608 -9.897
259 HA PRO 39 HA PRO 39 3.677 16.938 -8.085
260 HB2 PRO 39 1HB PRO 39 1.100 17.234 -8.885
261 HB3 PRO 39 2HB PRO 39 2.468 17.887 -9.793
262 HG2 PRO 39 1HG PRO 39 0.910 15.374 -10.263
263 HG3 PRO 39 2HG PRO 39 1.481 16.573 -11.438
264 HD2 PRO 39 1HD PRO 39 2.759 14.224 -11.016
265 HD3 PRO 39 2HD PRO 39 3.618 15.710 -11.470
266 H SER 40 H SER 40 3.494 16.270 -6.028
267 HA SER 40 HA SER 40 1.179 14.585 -5.327
268 HB2 SER 40 1HB SER 40 3.229 13.324 -5.000
269 HB3 SER 40 2HB SER 40 3.926 14.640 -4.055
270 HG SER 40 HG SER 40 2.463 14.243 -2.439
271 H SER 41 H SER 41 -0.160 16.338 -4.876
272 HA SER 41 HA SER 41 0.631 18.450 -3.118
273 HB2 SER 41 1HB SER 41 -1.100 18.769 -4.848
274 HB3 SER 41 2HB SER 41 -2.142 17.619 -4.010
275 HG SER 41 HG SER 41 -1.405 20.223 -3.281
276 H GLY 42 H GLY 42 1.173 17.863 -1.091
277 HA2 GLY 42 1HA GLY 42 -0.849 17.170 0.758
278 HA3 GLY 42 2HA GLY 42 0.109 15.745 0.383
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -26.182 4.484 -14.414
2 HA2 GLY 1 1HA GLY 1 -24.689 4.043 -12.718
3 HA3 GLY 1 2HA GLY 1 -25.885 2.958 -12.026
4 H SER 2 H SER 2 -23.308 3.217 -14.418
5 HA SER 2 HA SER 2 -23.249 0.360 -14.859
6 HB2 SER 2 1HB SER 2 -22.692 2.161 -16.600
7 HB3 SER 2 2HB SER 2 -21.152 2.334 -15.758
8 HG SER 2 HG SER 2 -20.772 0.117 -16.161
9 H SER 3 H SER 3 -22.762 -0.545 -12.866
10 HA SER 3 HA SER 3 -19.995 -0.725 -12.226
11 HB2 SER 3 1HB SER 3 -20.216 1.328 -11.066
12 HB3 SER 3 2HB SER 3 -21.789 0.879 -10.407
13 HG SER 3 HG SER 3 -20.095 0.683 -8.865
14 H GLY 4 H GLY 4 -19.540 -2.389 -10.720
15 HA2 GLY 4 1HA GLY 4 -21.564 -3.764 -9.275
16 HA3 GLY 4 2HA GLY 4 -21.226 -4.591 -10.788
17 H SER 5 H SER 5 -20.401 -6.413 -9.745
18 HA SER 5 HA SER 5 -18.377 -6.328 -7.777
19 HB2 SER 5 1HB SER 5 -18.080 -8.737 -8.289
20 HB3 SER 5 2HB SER 5 -19.775 -8.304 -8.067
21 HG SER 5 HG SER 5 -18.779 -8.162 -10.657
22 H SER 6 H SER 6 -16.565 -5.208 -8.247
23 HA SER 6 HA SER 6 -15.180 -5.782 -10.772
24 HB2 SER 6 1HB SER 6 -15.594 -3.418 -10.383
25 HB3 SER 6 2HB SER 6 -14.823 -3.513 -8.800
26 HG SER 6 HG SER 6 -13.654 -3.661 -11.358
27 H GLY 7 H GLY 7 -14.519 -5.381 -7.294
28 HA2 GLY 7 1HA GLY 7 -12.883 -7.658 -7.107
29 HA3 GLY 7 2HA GLY 7 -11.853 -6.257 -7.361
30 H GLU 8 H GLU 8 -13.678 -4.469 -5.904
31 HA GLU 8 HA GLU 8 -13.958 -3.656 -3.798
32 HB2 GLU 8 1HB GLU 8 -14.200 -6.609 -3.335
33 HB3 GLU 8 2HB GLU 8 -14.200 -5.502 -1.969
34 HG2 GLU 8 1HG GLU 8 -16.066 -4.273 -3.250
35 HG3 GLU 8 2HG GLU 8 -16.195 -5.765 -4.180
36 H LYS 9 H LYS 9 -11.410 -3.538 -4.686
37 HA LYS 9 HA LYS 9 -9.379 -4.745 -3.280
38 HB2 LYS 9 1HB LYS 9 -9.452 -1.839 -4.110
39 HB3 LYS 9 2HB LYS 9 -8.011 -2.800 -3.804
40 HG2 LYS 9 1HG LYS 9 -8.404 -4.146 -5.726
41 HG3 LYS 9 2HG LYS 9 -10.007 -3.444 -5.961
42 HD2 LYS 9 1HD LYS 9 -8.967 -1.258 -6.392
43 HD3 LYS 9 2HD LYS 9 -7.372 -1.988 -6.195
44 HE2 LYS 9 1HE LYS 9 -9.410 -2.804 -8.265
45 HE3 LYS 9 2HE LYS 9 -8.039 -1.736 -8.563
46 HZ1 LYS 9 3HZ LYS 9 -7.894 -4.577 -7.712
47 HZ2 LYS 9 1HZ LYS 9 -6.560 -3.557 -7.911
48 HZ3 LYS 9 2HZ LYS 9 -7.514 -3.970 -9.244
49 HA PRO 10 HA PRO 10 -10.494 -3.299 0.839
50 HB2 PRO 10 1HB PRO 10 -8.809 -4.991 2.129
51 HB3 PRO 10 2HB PRO 10 -10.388 -5.492 1.513
52 HG2 PRO 10 1HG PRO 10 -7.676 -5.870 0.304
53 HG3 PRO 10 2HG PRO 10 -9.021 -7.020 0.415
54 HD2 PRO 10 1HD PRO 10 -8.468 -5.639 -1.848
55 HD3 PRO 10 2HD PRO 10 -10.120 -6.102 -1.391
56 H TYR 11 H TYR 11 -7.519 -3.239 -0.860
57 HA TYR 11 HA TYR 11 -6.225 -1.656 1.247
58 HB2 TYR 11 1HB TYR 11 -4.976 -2.746 -1.280
59 HB3 TYR 11 2HB TYR 11 -4.140 -2.061 0.109
60 HD1 TYR 11 HD1 TYR 11 -6.041 -4.972 -1.114
61 HD2 TYR 11 HD2 TYR 11 -3.704 -3.374 2.062
62 HE1 TYR 11 HE1 TYR 11 -5.859 -7.217 -0.126
63 HE2 TYR 11 HE2 TYR 11 -3.515 -5.614 3.058
64 HH TYR 11 HH TYR 11 -4.321 -8.436 1.403
65 H GLU 12 H GLU 12 -6.037 0.478 1.056
66 HA GLU 12 HA GLU 12 -6.286 1.690 -1.611
67 HB2 GLU 12 1HB GLU 12 -7.899 2.217 0.832
68 HB3 GLU 12 2HB GLU 12 -7.450 3.602 -0.153
69 HG2 GLU 12 1HG GLU 12 -9.424 3.086 -1.133
70 HG3 GLU 12 2HG GLU 12 -8.361 2.062 -2.096
71 H CYS 13 H CYS 13 -5.060 3.511 -1.981
72 HA CYS 13 HA CYS 13 -2.773 3.850 -0.282
73 HB2 CYS 13 1HB CYS 13 -2.813 3.993 -2.833
74 HB3 CYS 13 2HB CYS 13 -3.519 5.593 -2.627
75 H THR 14 H THR 14 -2.578 5.206 1.364
76 HA THR 14 HA THR 14 -4.648 7.193 1.841
77 HB THR 14 HB THR 14 -3.586 7.488 4.044
78 HG1 THR 14 HG1 THR 14 -1.862 5.924 4.534
79 HG21 THR 14 3HG2 THR 14 -4.639 5.680 4.875
80 HG22 THR 14 1HG2 THR 14 -3.665 4.557 3.928
81 HG23 THR 14 2HG2 THR 14 -5.058 5.351 3.194
82 H ASP 15 H ASP 15 -2.662 7.568 -0.307
83 HA ASP 15 HA ASP 15 -1.479 10.092 0.652
84 HB2 ASP 15 1HB ASP 15 -0.310 7.900 -0.982
85 HB3 ASP 15 2HB ASP 15 0.116 9.549 -1.429
86 H CYS 16 H CYS 16 -2.986 8.365 -2.021
87 HA CYS 16 HA CYS 16 -3.686 10.968 -3.209
88 HB2 CYS 16 1HB CYS 16 -3.571 9.913 -5.436
89 HB3 CYS 16 2HB CYS 16 -2.014 9.882 -4.615
90 H GLY 17 H GLY 17 -4.619 7.651 -2.541
91 HA2 GLY 17 1HA GLY 17 -6.922 7.289 -1.814
92 HA3 GLY 17 2HA GLY 17 -7.421 8.428 -3.056
93 H LYS 18 H LYS 18 -4.945 6.115 -3.770
94 HA LYS 18 HA LYS 18 -6.574 4.961 -5.848
95 HB2 LYS 18 1HB LYS 18 -3.721 4.812 -5.022
96 HB3 LYS 18 2HB LYS 18 -4.363 3.458 -5.942
97 HG2 LYS 18 1HG LYS 18 -5.122 5.094 -7.669
98 HG3 LYS 18 2HG LYS 18 -4.254 6.346 -6.777
99 HD2 LYS 18 1HD LYS 18 -2.174 5.032 -7.032
100 HD3 LYS 18 2HD LYS 18 -3.064 3.857 -8.002
101 HE2 LYS 18 1HE LYS 18 -3.711 5.937 -9.429
102 HE3 LYS 18 2HE LYS 18 -2.311 6.677 -8.653
103 HZ1 LYS 18 3HZ LYS 18 -1.913 4.029 -9.795
104 HZ2 LYS 18 1HZ LYS 18 -0.881 5.369 -9.781
105 HZ3 LYS 18 2HZ LYS 18 -2.148 5.290 -10.898
106 H ALA 19 H ALA 19 -6.133 2.408 -6.073
107 HA ALA 19 HA ALA 19 -6.603 1.093 -3.502
108 HB1 ALA 19 3HB ALA 19 -8.533 1.216 -5.777
109 HB2 ALA 19 1HB ALA 19 -8.473 -0.221 -4.755
110 HB3 ALA 19 2HB ALA 19 -8.828 1.353 -4.043
111 H PHE 20 H PHE 20 -6.413 -1.255 -3.620
112 HA PHE 20 HA PHE 20 -5.309 -2.438 -6.003
113 HB2 PHE 20 1HB PHE 20 -3.557 -2.217 -3.547
114 HB3 PHE 20 2HB PHE 20 -3.150 -3.035 -5.053
115 HD1 PHE 20 HD1 PHE 20 -3.992 0.297 -3.649
116 HD2 PHE 20 HD2 PHE 20 -2.082 -1.884 -6.765
117 HE1 PHE 20 HE1 PHE 20 -3.026 2.387 -4.515
118 HE2 PHE 20 HE2 PHE 20 -1.112 0.203 -7.636
119 HZ PHE 20 HZ PHE 20 -1.583 2.342 -6.510
120 H GLY 21 H GLY 21 -6.319 -4.329 -6.074
121 HA2 GLY 21 1HA GLY 21 -7.657 -5.560 -3.973
122 HA3 GLY 21 2HA GLY 21 -7.151 -6.374 -5.445
123 H LEU 22 H LEU 22 -4.311 -5.418 -4.502
124 HA LEU 22 HA LEU 22 -3.887 -7.698 -2.683
125 HB2 LEU 22 1HB LEU 22 -2.418 -6.753 -5.075
126 HB3 LEU 22 2HB LEU 22 -1.454 -7.377 -3.738
127 HG LEU 22 HG LEU 22 -3.474 -8.833 -5.423
128 HD11 LEU 22 1HD1 LEU 22 -1.450 -9.049 -6.472
129 HD12 LEU 22 2HD1 LEU 22 -1.398 -10.433 -5.381
130 HD13 LEU 22 3HD1 LEU 22 -0.533 -8.952 -4.968
131 HD21 LEU 22 3HD2 LEU 22 -4.097 -9.888 -3.542
132 HD22 LEU 22 1HD2 LEU 22 -2.702 -9.307 -2.632
133 HD23 LEU 22 2HD2 LEU 22 -2.543 -10.708 -3.692
134 H LYS 23 H LYS 23 -1.826 -7.478 -1.380
135 HA LYS 23 HA LYS 23 -1.839 -4.856 -0.117
136 HB2 LYS 23 1HB LYS 23 -2.009 -6.687 1.401
137 HB3 LYS 23 2HB LYS 23 -0.646 -7.515 0.660
138 HG2 LYS 23 1HG LYS 23 0.341 -6.675 2.538
139 HG3 LYS 23 2HG LYS 23 0.660 -5.365 1.398
140 HD2 LYS 23 1HD LYS 23 -1.371 -4.211 2.234
141 HD3 LYS 23 2HD LYS 23 -1.559 -5.486 3.440
142 HE2 LYS 23 1HE LYS 23 0.597 -4.918 4.406
143 HE3 LYS 23 2HE LYS 23 0.852 -3.692 3.165
144 HZ1 LYS 23 3HZ LYS 23 -0.910 -2.394 4.028
145 HZ2 LYS 23 1HZ LYS 23 0.043 -2.842 5.353
146 HZ3 LYS 23 2HZ LYS 23 -1.425 -3.629 5.062
147 H SER 24 H SER 24 0.260 -6.905 -2.012
148 HA SER 24 HA SER 24 2.601 -5.277 -1.566
149 HB2 SER 24 1HB SER 24 2.703 -7.747 -2.004
150 HB3 SER 24 2HB SER 24 2.187 -7.423 -3.658
151 HG SER 24 HG SER 24 4.108 -5.884 -3.567
152 H GLN 25 H GLN 25 0.044 -5.524 -3.920
153 HA GLN 25 HA GLN 25 1.266 -4.090 -6.019
154 HB2 GLN 25 1HB GLN 25 -1.633 -4.500 -5.286
155 HB3 GLN 25 2HB GLN 25 -1.120 -3.664 -6.746
156 HG2 GLN 25 1HG GLN 25 0.155 -5.744 -7.355
157 HG3 GLN 25 2HG GLN 25 -0.665 -6.541 -6.014
158 HE21 GLN 25 1HE2 GLN 25 -1.000 -5.181 -9.183
159 HE22 GLN 25 2HE2 GLN 25 -2.582 -5.795 -9.506
160 H LEU 26 H LEU 26 -0.244 -3.095 -3.059
161 HA LEU 26 HA LEU 26 -0.523 -0.335 -3.887
162 HB2 LEU 26 1HB LEU 26 -2.195 -1.069 -2.410
163 HB3 LEU 26 2HB LEU 26 -1.025 -1.819 -1.328
164 HG LEU 26 HG LEU 26 -0.228 0.495 -0.750
165 HD11 LEU 26 1HD1 LEU 26 -1.371 1.424 -2.885
166 HD12 LEU 26 2HD1 LEU 26 -1.366 2.392 -1.411
167 HD13 LEU 26 3HD1 LEU 26 -2.812 1.493 -1.871
168 HD21 LEU 26 3HD2 LEU 26 -2.931 0.745 0.137
169 HD22 LEU 26 1HD2 LEU 26 -1.509 0.218 1.038
170 HD23 LEU 26 2HD2 LEU 26 -2.472 -0.959 0.145
171 H ILE 27 H ILE 27 1.460 -2.163 -1.569
172 HA ILE 27 HA ILE 27 2.969 -0.105 -0.522
173 HB ILE 27 HB ILE 27 3.951 -2.884 -1.182
174 HG12 ILE 27 1HG1 ILE 27 2.955 -1.945 1.495
175 HG13 ILE 27 2HG1 ILE 27 1.835 -2.556 0.283
176 HG21 ILE 27 1HG2 ILE 27 5.449 -0.750 -0.372
177 HG22 ILE 27 2HG2 ILE 27 5.032 -1.512 1.162
178 HG23 ILE 27 3HG2 ILE 27 5.855 -2.443 -0.089
179 HD11 ILE 27 3HD1 ILE 27 2.415 -4.673 0.657
180 HD12 ILE 27 1HD1 ILE 27 4.135 -4.290 0.729
181 HD13 ILE 27 2HD1 ILE 27 3.120 -4.060 2.153
182 H ILE 28 H ILE 28 3.509 -1.923 -3.514
183 HA ILE 28 HA ILE 28 5.971 -0.746 -4.198
184 HB ILE 28 HB ILE 28 3.842 -1.939 -5.974
185 HG12 ILE 28 1HG1 ILE 28 6.480 -3.170 -5.217
186 HG13 ILE 28 2HG1 ILE 28 5.070 -3.338 -4.176
187 HG21 ILE 28 1HG2 ILE 28 5.173 -0.501 -7.335
188 HG22 ILE 28 2HG2 ILE 28 6.662 -1.092 -6.600
189 HG23 ILE 28 3HG2 ILE 28 5.705 -2.156 -7.630
190 HD11 ILE 28 3HD1 ILE 28 4.232 -4.005 -6.773
191 HD12 ILE 28 1HD1 ILE 28 5.777 -4.814 -6.509
192 HD13 ILE 28 2HD1 ILE 28 4.442 -5.074 -5.386
193 H HIS 29 H HIS 29 2.646 0.241 -4.759
194 HA HIS 29 HA HIS 29 3.242 2.325 -6.599
195 HB2 HIS 29 1HB HIS 29 1.020 1.605 -6.677
196 HB3 HIS 29 2HB HIS 29 0.854 1.616 -4.924
197 HD1 HIS 29 HD1 HIS 29 1.244 4.106 -7.768
198 HD2 HIS 29 HD2 HIS 29 -0.373 3.830 -3.951
199 HE1 HIS 29 HE1 HIS 29 0.027 6.275 -7.395
200 H GLN 30 H GLN 30 2.453 2.356 -3.125
201 HA GLN 30 HA GLN 30 2.585 5.028 -2.590
202 HB2 GLN 30 1HB GLN 30 3.502 2.670 -0.959
203 HB3 GLN 30 2HB GLN 30 3.561 4.311 -0.327
204 HG2 GLN 30 1HG GLN 30 1.144 4.520 -0.682
205 HG3 GLN 30 2HG GLN 30 1.099 2.859 -1.270
206 HE21 GLN 30 1HE2 GLN 30 -0.473 2.613 0.472
207 HE22 GLN 30 2HE2 GLN 30 0.098 2.270 2.066
208 H ARG 31 H ARG 31 5.162 2.973 -3.569
209 HA ARG 31 HA ARG 31 7.392 4.267 -2.536
210 HB2 ARG 31 1HB ARG 31 7.069 2.933 -5.231
211 HB3 ARG 31 2HB ARG 31 8.609 3.354 -4.494
212 HG2 ARG 31 1HG ARG 31 7.762 1.891 -2.519
213 HG3 ARG 31 2HG ARG 31 6.667 1.224 -3.731
214 HD2 ARG 31 1HD ARG 31 8.526 -0.189 -3.803
215 HD3 ARG 31 2HD ARG 31 8.759 0.900 -5.170
216 HE ARG 31 HE ARG 31 10.057 1.959 -2.914
217 HH11 ARG 31 1HH1 ARG 31 10.313 -0.682 -5.168
218 HH12 ARG 31 2HH1 ARG 31 12.034 -0.811 -5.021
219 HH21 ARG 31 1HH2 ARG 31 12.323 1.799 -2.712
220 HH22 ARG 31 2HH2 ARG 31 13.177 0.600 -3.624
221 H THR 32 H THR 32 5.456 5.027 -5.388
222 HA THR 32 HA THR 32 7.087 6.994 -6.511
223 HB THR 32 HB THR 32 5.122 7.810 -7.668
224 HG1 THR 32 HG1 THR 32 3.507 7.888 -6.205
225 HG21 THR 32 3HG2 THR 32 6.131 5.390 -8.016
226 HG22 THR 32 1HG2 THR 32 4.707 5.926 -8.907
227 HG23 THR 32 2HG2 THR 32 4.523 4.899 -7.484
228 H HIS 33 H HIS 33 4.738 7.174 -3.899
229 HA HIS 33 HA HIS 33 4.705 10.008 -3.702
230 HB2 HIS 33 1HB HIS 33 3.939 7.819 -1.770
231 HB3 HIS 33 2HB HIS 33 3.759 9.530 -1.391
232 HD1 HIS 33 HD1 HIS 33 2.330 10.827 -3.476
233 HD2 HIS 33 HD2 HIS 33 1.648 6.795 -2.742
234 HE1 HIS 33 HE1 HIS 33 0.082 10.330 -4.488
235 H THR 34 H THR 34 6.342 7.503 -1.768
236 HA THR 34 HA THR 34 7.806 9.368 -0.197
237 HB THR 34 HB THR 34 9.150 7.398 0.511
238 HG1 THR 34 HG1 THR 34 7.813 6.281 -1.670
239 HG21 THR 34 3HG2 THR 34 7.080 7.922 1.680
240 HG22 THR 34 1HG2 THR 34 7.293 6.175 1.574
241 HG23 THR 34 2HG2 THR 34 6.156 6.992 0.501
242 H GLY 35 H GLY 35 8.967 10.779 -1.470
243 HA2 GLY 35 1HA GLY 35 11.263 11.154 -2.147
244 HA3 GLY 35 2HA GLY 35 11.242 9.568 -2.906
245 H GLU 36 H GLU 36 9.076 12.395 -3.078
246 HA GLU 36 HA GLU 36 9.056 12.122 -5.988
247 HB2 GLU 36 1HB GLU 36 7.146 13.657 -5.925
248 HB3 GLU 36 2HB GLU 36 6.890 12.274 -4.871
249 HG2 GLU 36 1HG GLU 36 7.300 13.563 -2.928
250 HG3 GLU 36 2HG GLU 36 7.901 14.922 -3.877
251 H SER 37 H SER 37 9.947 14.379 -3.449
252 HA SER 37 HA SER 37 11.012 16.213 -5.492
253 HB2 SER 37 1HB SER 37 10.081 16.678 -2.662
254 HB3 SER 37 2HB SER 37 11.080 17.853 -3.516
255 HG SER 37 HG SER 37 9.270 17.407 -5.221
256 H GLY 38 H GLY 38 13.085 17.203 -5.094
257 HA2 GLY 38 1HA GLY 38 15.199 15.598 -4.717
258 HA3 GLY 38 2HA GLY 38 15.247 17.290 -4.247
259 HA PRO 39 HA PRO 39 15.563 14.238 -0.567
260 HB2 PRO 39 1HB PRO 39 18.260 14.142 -0.279
261 HB3 PRO 39 2HB PRO 39 17.357 12.982 -1.260
262 HG2 PRO 39 1HG PRO 39 18.888 15.406 -2.122
263 HG3 PRO 39 2HG PRO 39 18.843 13.792 -2.855
264 HD2 PRO 39 1HD PRO 39 17.418 15.876 -3.833
265 HD3 PRO 39 2HD PRO 39 16.846 14.198 -3.931
266 H SER 40 H SER 40 16.214 17.340 -1.455
267 HA SER 40 HA SER 40 17.582 18.274 0.884
268 HB2 SER 40 1HB SER 40 16.042 19.780 -1.244
269 HB3 SER 40 2HB SER 40 17.030 20.532 0.008
270 HG SER 40 HG SER 40 18.315 20.345 -1.775
271 H SER 41 H SER 41 15.816 16.910 2.117
272 HA SER 41 HA SER 41 14.024 16.858 3.528
273 HB2 SER 41 1HB SER 41 14.466 19.844 3.713
274 HB3 SER 41 2HB SER 41 13.759 18.789 4.937
275 HG SER 41 HG SER 41 15.806 17.751 5.086
276 H GLY 42 H GLY 42 13.110 16.736 1.026
277 HA2 GLY 42 1HA GLY 42 11.139 18.823 0.564
278 HA3 GLY 42 2HA GLY 42 11.455 17.438 -0.470
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -17.641 -0.905 -22.567
2 HA2 GLY 1 1HA GLY 1 -19.827 -2.060 -21.510
3 HA3 GLY 1 2HA GLY 1 -19.574 -3.031 -22.953
4 H SER 2 H SER 2 -17.625 -4.253 -23.146
5 HA SER 2 HA SER 2 -16.922 -5.789 -21.027
6 HB2 SER 2 1HB SER 2 -16.204 -5.927 -23.531
7 HB3 SER 2 2HB SER 2 -14.785 -5.029 -22.996
8 HG SER 2 HG SER 2 -14.808 -6.823 -21.275
9 H SER 3 H SER 3 -15.500 -5.752 -19.346
10 HA SER 3 HA SER 3 -13.825 -3.362 -19.013
11 HB2 SER 3 1HB SER 3 -14.513 -3.096 -16.713
12 HB3 SER 3 2HB SER 3 -15.958 -3.112 -17.723
13 HG SER 3 HG SER 3 -16.085 -4.448 -15.813
14 H GLY 4 H GLY 4 -11.965 -3.643 -17.728
15 HA2 GLY 4 1HA GLY 4 -10.720 -6.157 -17.950
16 HA3 GLY 4 2HA GLY 4 -10.125 -4.805 -16.999
17 H SER 5 H SER 5 -9.422 -6.706 -15.650
18 HA SER 5 HA SER 5 -11.518 -7.968 -14.092
19 HB2 SER 5 1HB SER 5 -8.532 -8.256 -14.244
20 HB3 SER 5 2HB SER 5 -9.418 -8.927 -12.874
21 HG SER 5 HG SER 5 -10.457 -9.494 -15.375
22 H SER 6 H SER 6 -12.361 -6.012 -13.147
23 HA SER 6 HA SER 6 -10.663 -4.906 -11.009
24 HB2 SER 6 1HB SER 6 -13.108 -3.651 -12.278
25 HB3 SER 6 2HB SER 6 -12.046 -2.903 -11.085
26 HG SER 6 HG SER 6 -11.146 -3.809 -13.614
27 H GLY 7 H GLY 7 -11.449 -4.765 -8.921
28 HA2 GLY 7 1HA GLY 7 -14.151 -5.672 -8.339
29 HA3 GLY 7 2HA GLY 7 -12.860 -6.723 -7.775
30 H GLU 8 H GLU 8 -14.023 -6.156 -5.699
31 HA GLU 8 HA GLU 8 -13.636 -3.530 -4.624
32 HB2 GLU 8 1HB GLU 8 -15.416 -5.332 -4.001
33 HB3 GLU 8 2HB GLU 8 -14.162 -5.952 -2.936
34 HG2 GLU 8 1HG GLU 8 -14.875 -3.062 -2.825
35 HG3 GLU 8 2HG GLU 8 -15.929 -4.250 -2.059
36 H LYS 9 H LYS 9 -11.556 -2.904 -4.435
37 HA LYS 9 HA LYS 9 -9.528 -4.712 -3.442
38 HB2 LYS 9 1HB LYS 9 -9.312 -1.761 -4.058
39 HB3 LYS 9 2HB LYS 9 -7.977 -2.882 -3.825
40 HG2 LYS 9 1HG LYS 9 -8.260 -3.863 -5.880
41 HG3 LYS 9 2HG LYS 9 -9.968 -3.427 -5.973
42 HD2 LYS 9 1HD LYS 9 -9.365 -1.093 -6.331
43 HD3 LYS 9 2HD LYS 9 -7.654 -1.501 -6.191
44 HE2 LYS 9 1HE LYS 9 -9.316 -2.937 -8.204
45 HE3 LYS 9 2HE LYS 9 -8.821 -1.279 -8.542
46 HZ1 LYS 9 3HZ LYS 9 -6.505 -2.284 -7.783
47 HZ2 LYS 9 1HZ LYS 9 -7.039 -2.354 -9.387
48 HZ3 LYS 9 2HZ LYS 9 -7.209 -3.702 -8.379
49 HA PRO 10 HA PRO 10 -10.459 -3.522 0.774
50 HB2 PRO 10 1HB PRO 10 -8.690 -5.240 1.909
51 HB3 PRO 10 2HB PRO 10 -10.268 -5.751 1.298
52 HG2 PRO 10 1HG PRO 10 -7.578 -5.959 0.002
53 HG3 PRO 10 2HG PRO 10 -8.884 -7.157 0.069
54 HD2 PRO 10 1HD PRO 10 -8.433 -5.614 -2.109
55 HD3 PRO 10 2HD PRO 10 -10.057 -6.159 -1.645
56 H TYR 11 H TYR 11 -7.581 -3.183 -1.017
57 HA TYR 11 HA TYR 11 -6.306 -1.667 1.160
58 HB2 TYR 11 1HB TYR 11 -4.993 -2.688 -1.363
59 HB3 TYR 11 2HB TYR 11 -4.196 -2.010 0.053
60 HD1 TYR 11 HD1 TYR 11 -5.874 -4.959 -1.333
61 HD2 TYR 11 HD2 TYR 11 -3.897 -3.331 2.064
62 HE1 TYR 11 HE1 TYR 11 -5.658 -7.218 -0.384
63 HE2 TYR 11 HE2 TYR 11 -3.674 -5.585 3.022
64 HH TYR 11 HH TYR 11 -4.868 -8.446 1.286
65 H GLU 12 H GLU 12 -5.741 0.446 0.876
66 HA GLU 12 HA GLU 12 -6.120 1.685 -1.739
67 HB2 GLU 12 1HB GLU 12 -7.792 2.187 0.669
68 HB3 GLU 12 2HB GLU 12 -7.333 3.580 -0.299
69 HG2 GLU 12 1HG GLU 12 -9.293 3.042 -1.307
70 HG3 GLU 12 2HG GLU 12 -8.189 2.066 -2.274
71 H CYS 13 H CYS 13 -4.872 3.488 -2.081
72 HA CYS 13 HA CYS 13 -2.612 3.825 -0.374
73 HB2 CYS 13 1HB CYS 13 -2.683 4.096 -2.912
74 HB3 CYS 13 2HB CYS 13 -3.419 5.669 -2.622
75 H THR 14 H THR 14 -2.417 5.099 1.336
76 HA THR 14 HA THR 14 -4.512 7.025 1.939
77 HB THR 14 HB THR 14 -3.334 7.253 4.132
78 HG1 THR 14 HG1 THR 14 -1.599 5.915 4.564
79 HG21 THR 14 3HG2 THR 14 -4.186 4.526 3.180
80 HG22 THR 14 1HG2 THR 14 -5.132 5.713 4.077
81 HG23 THR 14 2HG2 THR 14 -3.802 4.867 4.867
82 H ASP 15 H ASP 15 -2.593 7.561 -0.217
83 HA ASP 15 HA ASP 15 -1.459 10.063 0.847
84 HB2 ASP 15 1HB ASP 15 -0.199 7.956 -0.828
85 HB3 ASP 15 2HB ASP 15 0.181 9.629 -1.228
86 H CYS 16 H CYS 16 -2.923 8.381 -1.868
87 HA CYS 16 HA CYS 16 -3.633 10.999 -3.017
88 HB2 CYS 16 1HB CYS 16 -3.494 10.010 -5.256
89 HB3 CYS 16 2HB CYS 16 -1.947 9.900 -4.422
90 H GLY 17 H GLY 17 -4.545 7.632 -2.514
91 HA2 GLY 17 1HA GLY 17 -6.856 7.267 -1.750
92 HA3 GLY 17 2HA GLY 17 -7.355 8.426 -2.974
93 H LYS 18 H LYS 18 -4.860 6.187 -3.783
94 HA LYS 18 HA LYS 18 -6.467 5.056 -5.872
95 HB2 LYS 18 1HB LYS 18 -3.631 4.862 -4.998
96 HB3 LYS 18 2HB LYS 18 -4.269 3.535 -5.958
97 HG2 LYS 18 1HG LYS 18 -5.034 5.310 -7.612
98 HG3 LYS 18 2HG LYS 18 -3.998 6.424 -6.717
99 HD2 LYS 18 1HD LYS 18 -2.550 5.697 -8.348
100 HD3 LYS 18 2HD LYS 18 -2.204 4.543 -7.058
101 HE2 LYS 18 1HE LYS 18 -3.986 3.069 -8.162
102 HE3 LYS 18 2HE LYS 18 -3.831 4.144 -9.550
103 HZ1 LYS 18 3HZ LYS 18 -1.906 2.222 -8.464
104 HZ2 LYS 18 1HZ LYS 18 -1.304 3.618 -9.206
105 HZ3 LYS 18 2HZ LYS 18 -2.299 2.562 -10.074
106 H ALA 19 H ALA 19 -6.279 2.566 -6.185
107 HA ALA 19 HA ALA 19 -6.730 1.179 -3.636
108 HB1 ALA 19 3HB ALA 19 -8.513 0.686 -5.999
109 HB2 ALA 19 1HB ALA 19 -8.755 0.224 -4.314
110 HB3 ALA 19 2HB ALA 19 -8.887 1.917 -4.793
111 H PHE 20 H PHE 20 -6.307 -1.053 -3.655
112 HA PHE 20 HA PHE 20 -5.274 -2.255 -6.094
113 HB2 PHE 20 1HB PHE 20 -3.572 -2.093 -3.599
114 HB3 PHE 20 2HB PHE 20 -3.138 -2.873 -5.117
115 HD1 PHE 20 HD1 PHE 20 -3.940 0.413 -3.603
116 HD2 PHE 20 HD2 PHE 20 -2.088 -1.672 -6.818
117 HE1 PHE 20 HE1 PHE 20 -2.949 2.522 -4.394
118 HE2 PHE 20 HE2 PHE 20 -1.094 0.433 -7.615
119 HZ PHE 20 HZ PHE 20 -1.523 2.533 -6.402
120 H GLY 21 H GLY 21 -6.115 -4.222 -6.231
121 HA2 GLY 21 1HA GLY 21 -7.590 -5.457 -4.203
122 HA3 GLY 21 2HA GLY 21 -6.995 -6.259 -5.649
123 H LEU 22 H LEU 22 -4.186 -5.494 -4.812
124 HA LEU 22 HA LEU 22 -3.840 -7.694 -2.891
125 HB2 LEU 22 1HB LEU 22 -2.285 -6.728 -5.217
126 HB3 LEU 22 2HB LEU 22 -1.367 -7.348 -3.847
127 HG LEU 22 HG LEU 22 -3.325 -8.819 -5.593
128 HD11 LEU 22 1HD1 LEU 22 -1.296 -9.023 -6.620
129 HD12 LEU 22 2HD1 LEU 22 -1.206 -10.382 -5.501
130 HD13 LEU 22 3HD1 LEU 22 -0.391 -8.867 -5.114
131 HD21 LEU 22 3HD2 LEU 22 -2.355 -10.674 -3.835
132 HD22 LEU 22 1HD2 LEU 22 -3.954 -9.934 -3.758
133 HD23 LEU 22 2HD2 LEU 22 -2.632 -9.279 -2.791
134 H LYS 23 H LYS 23 -1.875 -7.484 -1.473
135 HA LYS 23 HA LYS 23 -1.934 -4.867 -0.206
136 HB2 LYS 23 1HB LYS 23 -2.181 -6.756 1.261
137 HB3 LYS 23 2HB LYS 23 -0.727 -7.510 0.620
138 HG2 LYS 23 1HG LYS 23 0.118 -6.652 2.542
139 HG3 LYS 23 2HG LYS 23 0.381 -5.269 1.477
140 HD2 LYS 23 1HD LYS 23 -1.950 -4.499 2.252
141 HD3 LYS 23 2HD LYS 23 -1.747 -5.672 3.555
142 HE2 LYS 23 1HE LYS 23 -0.922 -3.754 4.528
143 HE3 LYS 23 2HE LYS 23 0.549 -4.483 3.887
144 HZ1 LYS 23 3HZ LYS 23 0.046 -1.989 3.463
145 HZ2 LYS 23 1HZ LYS 23 -0.951 -2.576 2.229
146 HZ3 LYS 23 2HZ LYS 23 0.702 -2.934 2.222
147 H SER 24 H SER 24 0.224 -6.876 -2.060
148 HA SER 24 HA SER 24 2.563 -5.290 -1.473
149 HB2 SER 24 1HB SER 24 2.665 -7.743 -1.984
150 HB3 SER 24 2HB SER 24 2.200 -7.368 -3.643
151 HG SER 24 HG SER 24 4.279 -7.161 -3.908
152 H GLN 25 H GLN 25 0.100 -5.442 -3.937
153 HA GLN 25 HA GLN 25 1.416 -3.946 -5.933
154 HB2 GLN 25 1HB GLN 25 -1.442 -4.599 -5.331
155 HB3 GLN 25 2HB GLN 25 -1.074 -3.395 -6.559
156 HG2 GLN 25 1HG GLN 25 0.544 -5.307 -7.416
157 HG3 GLN 25 2HG GLN 25 -0.623 -6.322 -6.570
158 HE21 GLN 25 1HE2 GLN 25 -2.612 -6.636 -7.430
159 HE22 GLN 25 2HE2 GLN 25 -3.112 -6.009 -8.960
160 H LEU 26 H LEU 26 -0.254 -3.039 -3.023
161 HA LEU 26 HA LEU 26 -0.484 -0.255 -3.761
162 HB2 LEU 26 1HB LEU 26 -2.197 -1.063 -2.359
163 HB3 LEU 26 2HB LEU 26 -1.045 -1.806 -1.251
164 HG LEU 26 HG LEU 26 -0.327 0.473 -0.561
165 HD11 LEU 26 1HD1 LEU 26 -1.363 2.404 -1.288
166 HD12 LEU 26 2HD1 LEU 26 -2.781 1.544 -1.888
167 HD13 LEU 26 3HD1 LEU 26 -1.258 1.458 -2.773
168 HD21 LEU 26 3HD2 LEU 26 -3.292 0.143 -0.203
169 HD22 LEU 26 1HD2 LEU 26 -2.112 0.804 0.929
170 HD23 LEU 26 2HD2 LEU 26 -2.124 -0.925 0.578
171 H ILE 27 H ILE 27 1.423 -2.148 -1.430
172 HA ILE 27 HA ILE 27 2.897 -0.127 -0.274
173 HB ILE 27 HB ILE 27 3.886 -2.888 -0.997
174 HG12 ILE 27 1HG1 ILE 27 2.845 -1.989 1.680
175 HG13 ILE 27 2HG1 ILE 27 1.760 -2.608 0.441
176 HG21 ILE 27 1HG2 ILE 27 4.959 -1.611 1.396
177 HG22 ILE 27 2HG2 ILE 27 5.787 -2.480 0.105
178 HG23 ILE 27 3HG2 ILE 27 5.382 -0.776 -0.099
179 HD11 ILE 27 3HD1 ILE 27 2.203 -4.476 1.710
180 HD12 ILE 27 1HD1 ILE 27 3.368 -4.631 0.395
181 HD13 ILE 27 2HD1 ILE 27 3.889 -4.029 1.969
182 H ILE 28 H ILE 28 3.553 -1.853 -3.301
183 HA ILE 28 HA ILE 28 6.019 -0.606 -3.862
184 HB ILE 28 HB ILE 28 4.012 -1.774 -5.794
185 HG12 ILE 28 1HG1 ILE 28 6.509 -3.053 -4.676
186 HG13 ILE 28 2HG1 ILE 28 4.913 -3.287 -3.970
187 HG21 ILE 28 1HG2 ILE 28 6.909 -1.680 -6.402
188 HG22 ILE 28 2HG2 ILE 28 5.519 -1.566 -7.480
189 HG23 ILE 28 3HG2 ILE 28 6.007 -0.169 -6.522
190 HD11 ILE 28 3HD1 ILE 28 4.560 -3.844 -6.659
191 HD12 ILE 28 1HD1 ILE 28 6.124 -4.554 -6.259
192 HD13 ILE 28 2HD1 ILE 28 4.688 -5.009 -5.341
193 H HIS 29 H HIS 29 2.688 0.265 -4.607
194 HA HIS 29 HA HIS 29 3.296 2.396 -6.374
195 HB2 HIS 29 1HB HIS 29 1.102 1.609 -6.545
196 HB3 HIS 29 2HB HIS 29 0.865 1.604 -4.800
197 HD1 HIS 29 HD1 HIS 29 1.143 4.042 -7.684
198 HD2 HIS 29 HD2 HIS 29 -0.311 3.856 -3.797
199 HE1 HIS 29 HE1 HIS 29 -0.111 6.193 -7.332
200 H GLN 30 H GLN 30 2.549 2.289 -2.904
201 HA GLN 30 HA GLN 30 2.522 4.988 -2.340
202 HB2 GLN 30 1HB GLN 30 3.429 2.622 -0.720
203 HB3 GLN 30 2HB GLN 30 3.461 4.251 -0.059
204 HG2 GLN 30 1HG GLN 30 0.959 4.260 -0.895
205 HG3 GLN 30 2HG GLN 30 1.150 2.515 -0.725
206 HE21 GLN 30 1HE2 GLN 30 -0.588 2.968 0.887
207 HE22 GLN 30 2HE2 GLN 30 -0.097 3.337 2.501
208 H ARG 31 H ARG 31 5.158 3.055 -3.347
209 HA ARG 31 HA ARG 31 7.306 4.468 -2.201
210 HB2 ARG 31 1HB ARG 31 7.199 2.955 -4.818
211 HB3 ARG 31 2HB ARG 31 8.667 3.455 -3.989
212 HG2 ARG 31 1HG ARG 31 7.946 2.056 -2.046
213 HG3 ARG 31 2HG ARG 31 6.635 1.445 -3.057
214 HD2 ARG 31 1HD ARG 31 8.310 -0.156 -3.301
215 HD3 ARG 31 2HD ARG 31 8.483 0.851 -4.738
216 HE ARG 31 HE ARG 31 10.530 1.553 -3.968
217 HH11 ARG 31 1HH1 ARG 31 8.830 -0.104 -1.422
218 HH12 ARG 31 2HH1 ARG 31 10.201 -0.159 -0.365
219 HH21 ARG 31 1HH2 ARG 31 12.343 1.486 -2.585
220 HH22 ARG 31 2HH2 ARG 31 12.199 0.746 -1.027
221 H THR 32 H THR 32 5.673 4.827 -5.335
222 HA THR 32 HA THR 32 7.244 6.839 -6.420
223 HB THR 32 HB THR 32 5.406 5.613 -7.610
224 HG1 THR 32 HG1 THR 32 4.661 7.724 -8.654
225 HG21 THR 32 3HG2 THR 32 3.290 5.757 -6.930
226 HG22 THR 32 1HG2 THR 32 3.326 7.513 -7.082
227 HG23 THR 32 2HG2 THR 32 3.823 6.749 -5.573
228 H HIS 33 H HIS 33 5.103 6.973 -3.754
229 HA HIS 33 HA HIS 33 4.665 9.830 -3.903
230 HB2 HIS 33 1HB HIS 33 3.880 7.676 -1.961
231 HB3 HIS 33 2HB HIS 33 3.698 9.376 -1.537
232 HD1 HIS 33 HD1 HIS 33 2.456 10.674 -3.840
233 HD2 HIS 33 HD2 HIS 33 1.495 6.765 -2.813
234 HE1 HIS 33 HE1 HIS 33 0.206 10.240 -4.876
235 H THR 34 H THR 34 6.353 7.613 -1.683
236 HA THR 34 HA THR 34 7.526 9.607 -0.088
237 HB THR 34 HB THR 34 9.092 7.864 0.667
238 HG1 THR 34 HG1 THR 34 8.960 6.897 -1.653
239 HG21 THR 34 3HG2 THR 34 7.101 6.055 0.989
240 HG22 THR 34 1HG2 THR 34 6.171 7.488 0.552
241 HG23 THR 34 2HG2 THR 34 7.256 7.530 1.942
242 H GLY 35 H GLY 35 8.104 8.855 -3.296
243 HA2 GLY 35 1HA GLY 35 10.750 10.161 -3.164
244 HA3 GLY 35 2HA GLY 35 10.450 8.798 -4.231
245 H GLU 36 H GLU 36 8.860 11.904 -3.476
246 HA GLU 36 HA GLU 36 9.054 12.661 -6.281
247 HB2 GLU 36 1HB GLU 36 6.849 11.376 -5.774
248 HB3 GLU 36 2HB GLU 36 6.366 12.857 -4.959
249 HG2 GLU 36 1HG GLU 36 5.557 12.710 -7.280
250 HG3 GLU 36 2HG GLU 36 6.581 14.115 -6.988
251 H SER 37 H SER 37 8.689 14.907 -6.657
252 HA SER 37 HA SER 37 8.961 16.531 -4.214
253 HB2 SER 37 1HB SER 37 10.153 18.173 -5.626
254 HB3 SER 37 2HB SER 37 10.951 16.601 -5.637
255 HG SER 37 HG SER 37 10.828 16.891 -7.728
256 H GLY 38 H GLY 38 6.656 16.665 -4.001
257 HA2 GLY 38 1HA GLY 38 5.570 18.911 -5.466
258 HA3 GLY 38 2HA GLY 38 4.743 17.389 -5.764
259 HA PRO 39 HA PRO 39 2.585 19.323 -2.204
260 HB2 PRO 39 1HB PRO 39 0.126 18.448 -2.950
261 HB3 PRO 39 2HB PRO 39 0.851 19.931 -3.583
262 HG2 PRO 39 1HG PRO 39 0.712 17.210 -4.824
263 HG3 PRO 39 2HG PRO 39 0.446 18.796 -5.572
264 HD2 PRO 39 1HD PRO 39 2.770 17.432 -5.836
265 HD3 PRO 39 2HD PRO 39 2.703 19.205 -5.802
266 H SER 40 H SER 40 1.507 18.342 -0.423
267 HA SER 40 HA SER 40 1.247 16.717 1.149
268 HB2 SER 40 1HB SER 40 0.333 15.416 -1.381
269 HB3 SER 40 2HB SER 40 0.503 14.416 0.062
270 HG SER 40 HG SER 40 -0.772 16.334 1.019
271 H SER 41 H SER 41 3.883 17.155 0.300
272 HA SER 41 HA SER 41 5.172 14.614 -0.134
273 HB2 SER 41 1HB SER 41 6.075 17.447 0.161
274 HB3 SER 41 2HB SER 41 7.250 16.160 0.430
275 HG SER 41 HG SER 41 7.323 15.851 -1.640
276 H GLY 42 H GLY 42 4.900 16.929 2.547
277 HA2 GLY 42 1HA GLY 42 5.093 16.620 4.816
278 HA3 GLY 42 2HA GLY 42 4.944 14.895 4.518
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -20.845 1.311 -20.678
2 HA2 GLY 1 1HA GLY 1 -20.595 -0.969 -20.774
3 HA3 GLY 1 2HA GLY 1 -19.052 -0.737 -19.965
4 H SER 2 H SER 2 -21.784 -2.411 -19.731
5 HA SER 2 HA SER 2 -22.005 -2.191 -16.810
6 HB2 SER 2 1HB SER 2 -23.870 -3.070 -18.968
7 HB3 SER 2 2HB SER 2 -24.039 -3.809 -17.376
8 HG SER 2 HG SER 2 -24.206 -1.673 -16.519
9 H SER 3 H SER 3 -21.318 -3.774 -15.512
10 HA SER 3 HA SER 3 -21.132 -6.506 -16.336
11 HB2 SER 3 1HB SER 3 -19.101 -5.530 -17.417
12 HB3 SER 3 2HB SER 3 -18.523 -5.060 -15.818
13 HG SER 3 HG SER 3 -17.661 -7.073 -16.514
14 H GLY 4 H GLY 4 -20.501 -7.924 -14.604
15 HA2 GLY 4 1HA GLY 4 -20.488 -6.613 -11.957
16 HA3 GLY 4 2HA GLY 4 -21.513 -8.001 -12.290
17 H SER 5 H SER 5 -18.188 -6.913 -11.935
18 HA SER 5 HA SER 5 -17.412 -9.709 -11.415
19 HB2 SER 5 1HB SER 5 -16.397 -8.772 -13.493
20 HB3 SER 5 2HB SER 5 -15.629 -7.522 -12.514
21 HG SER 5 HG SER 5 -14.901 -9.606 -11.297
22 H SER 6 H SER 6 -16.387 -10.146 -9.542
23 HA SER 6 HA SER 6 -16.508 -8.326 -7.411
24 HB2 SER 6 1HB SER 6 -16.521 -10.756 -7.073
25 HB3 SER 6 2HB SER 6 -14.860 -10.855 -7.657
26 HG SER 6 HG SER 6 -14.981 -10.810 -5.366
27 H GLY 7 H GLY 7 -15.393 -6.463 -7.485
28 HA2 GLY 7 1HA GLY 7 -12.469 -6.672 -7.837
29 HA3 GLY 7 2HA GLY 7 -13.387 -5.383 -8.602
30 H GLU 8 H GLU 8 -13.675 -6.740 -5.335
31 HA GLU 8 HA GLU 8 -13.700 -4.087 -4.209
32 HB2 GLU 8 1HB GLU 8 -14.055 -6.857 -3.128
33 HB3 GLU 8 2HB GLU 8 -13.748 -5.527 -2.020
34 HG2 GLU 8 1HG GLU 8 -16.035 -5.586 -2.039
35 HG3 GLU 8 2HG GLU 8 -15.709 -4.378 -3.280
36 H LYS 9 H LYS 9 -11.907 -2.997 -3.796
37 HA LYS 9 HA LYS 9 -9.423 -4.459 -3.262
38 HB2 LYS 9 1HB LYS 9 -9.914 -1.565 -3.981
39 HB3 LYS 9 2HB LYS 9 -8.329 -2.251 -3.652
40 HG2 LYS 9 1HG LYS 9 -8.292 -3.456 -5.612
41 HG3 LYS 9 2HG LYS 9 -10.051 -3.474 -5.758
42 HD2 LYS 9 1HD LYS 9 -9.846 -0.931 -6.070
43 HD3 LYS 9 2HD LYS 9 -8.133 -1.244 -6.360
44 HE2 LYS 9 1HE LYS 9 -10.397 -2.541 -7.872
45 HE3 LYS 9 2HE LYS 9 -9.494 -1.136 -8.434
46 HZ1 LYS 9 3HZ LYS 9 -8.241 -2.697 -9.422
47 HZ2 LYS 9 1HZ LYS 9 -8.717 -3.928 -8.363
48 HZ3 LYS 9 2HZ LYS 9 -7.512 -2.835 -7.901
49 HA PRO 10 HA PRO 10 -10.353 -3.353 1.030
50 HB2 PRO 10 1HB PRO 10 -8.614 -5.148 2.088
51 HB3 PRO 10 2HB PRO 10 -10.234 -5.590 1.537
52 HG2 PRO 10 1HG PRO 10 -7.606 -5.902 0.137
53 HG3 PRO 10 2HG PRO 10 -8.957 -7.046 0.250
54 HD2 PRO 10 1HD PRO 10 -8.527 -5.510 -1.938
55 HD3 PRO 10 2HD PRO 10 -10.153 -5.991 -1.414
56 H TYR 11 H TYR 11 -7.569 -3.067 -0.890
57 HA TYR 11 HA TYR 11 -6.151 -1.614 1.245
58 HB2 TYR 11 1HB TYR 11 -4.947 -2.723 -1.295
59 HB3 TYR 11 2HB TYR 11 -4.087 -2.062 0.092
60 HD1 TYR 11 HD2 TYR 11 -3.860 -3.357 2.148
61 HD2 TYR 11 HD1 TYR 11 -5.856 -4.966 -1.247
62 HE1 TYR 11 HE2 TYR 11 -3.707 -5.607 3.132
63 HE2 TYR 11 HE1 TYR 11 -5.710 -7.220 -0.273
64 HH TYR 11 HH TYR 11 -5.259 -8.384 1.614
65 H GLU 12 H GLU 12 -5.739 0.501 0.997
66 HA GLU 12 HA GLU 12 -6.047 1.712 -1.654
67 HB2 GLU 12 1HB GLU 12 -7.662 2.279 0.778
68 HB3 GLU 12 2HB GLU 12 -7.182 3.652 -0.209
69 HG2 GLU 12 1HG GLU 12 -9.168 3.164 -1.186
70 HG3 GLU 12 2HG GLU 12 -8.112 2.138 -2.155
71 H CYS 13 H CYS 13 -4.902 3.643 -1.965
72 HA CYS 13 HA CYS 13 -2.571 3.905 -0.284
73 HB2 CYS 13 1HB CYS 13 -2.522 4.044 -2.800
74 HB3 CYS 13 2HB CYS 13 -3.343 5.596 -2.667
75 H THR 14 H THR 14 -2.362 5.257 1.364
76 HA THR 14 HA THR 14 -4.427 7.233 1.876
77 HB THR 14 HB THR 14 -3.156 7.591 4.027
78 HG1 THR 14 HG1 THR 14 -1.202 6.786 4.037
79 HG21 THR 14 3HG2 THR 14 -5.062 6.146 4.052
80 HG22 THR 14 1HG2 THR 14 -3.783 5.351 4.968
81 HG23 THR 14 2HG2 THR 14 -4.143 4.829 3.322
82 H ASP 15 H ASP 15 -2.565 7.663 -0.338
83 HA ASP 15 HA ASP 15 -1.379 10.198 0.582
84 HB2 ASP 15 1HB ASP 15 -0.202 8.014 -1.056
85 HB3 ASP 15 2HB ASP 15 0.179 9.666 -1.533
86 H CYS 16 H CYS 16 -2.871 8.418 -2.071
87 HA CYS 16 HA CYS 16 -3.652 10.998 -3.260
88 HB2 CYS 16 1HB CYS 16 -3.606 9.867 -5.476
89 HB3 CYS 16 2HB CYS 16 -2.021 9.962 -4.716
90 H GLY 17 H GLY 17 -4.518 7.643 -2.626
91 HA2 GLY 17 1HA GLY 17 -6.810 7.281 -1.807
92 HA3 GLY 17 2HA GLY 17 -7.344 8.389 -3.062
93 H LYS 18 H LYS 18 -4.836 6.212 -3.915
94 HA LYS 18 HA LYS 18 -6.468 4.973 -5.907
95 HB2 LYS 18 1HB LYS 18 -3.882 5.477 -5.864
96 HB3 LYS 18 2HB LYS 18 -3.794 3.882 -5.128
97 HG2 LYS 18 1HG LYS 18 -4.490 2.811 -7.036
98 HG3 LYS 18 2HG LYS 18 -5.334 4.232 -7.655
99 HD2 LYS 18 1HD LYS 18 -2.379 4.375 -7.333
100 HD3 LYS 18 2HD LYS 18 -3.028 3.431 -8.676
101 HE2 LYS 18 1HE LYS 18 -4.357 5.419 -9.353
102 HE3 LYS 18 2HE LYS 18 -3.553 6.341 -8.083
103 HZ1 LYS 18 3HZ LYS 18 -2.612 5.652 -10.686
104 HZ2 LYS 18 1HZ LYS 18 -1.516 5.176 -9.488
105 HZ3 LYS 18 2HZ LYS 18 -2.007 6.791 -9.591
106 H ALA 19 H ALA 19 -6.308 2.490 -6.150
107 HA ALA 19 HA ALA 19 -6.667 1.166 -3.553
108 HB1 ALA 19 3HB ALA 19 -8.594 1.106 -5.864
109 HB2 ALA 19 1HB ALA 19 -8.626 -0.061 -4.541
110 HB3 ALA 19 2HB ALA 19 -8.895 1.652 -4.214
111 H PHE 20 H PHE 20 -6.370 -1.122 -3.585
112 HA PHE 20 HA PHE 20 -5.370 -2.350 -6.015
113 HB2 PHE 20 1HB PHE 20 -3.617 -2.180 -3.556
114 HB3 PHE 20 2HB PHE 20 -3.225 -2.996 -5.066
115 HD1 PHE 20 HD1 PHE 20 -3.754 0.288 -3.484
116 HD2 PHE 20 HD2 PHE 20 -2.377 -1.801 -6.927
117 HE1 PHE 20 HE1 PHE 20 -2.742 2.364 -4.334
118 HE2 PHE 20 HE2 PHE 20 -1.362 0.270 -7.782
119 HZ PHE 20 HZ PHE 20 -1.543 2.356 -6.485
120 H GLY 21 H GLY 21 -6.222 -4.315 -6.116
121 HA2 GLY 21 1HA GLY 21 -7.669 -5.502 -4.028
122 HA3 GLY 21 2HA GLY 21 -7.148 -6.320 -5.494
123 H LEU 22 H LEU 22 -4.303 -5.458 -4.599
124 HA LEU 22 HA LEU 22 -3.931 -7.686 -2.706
125 HB2 LEU 22 1HB LEU 22 -2.461 -6.869 -5.146
126 HB3 LEU 22 2HB LEU 22 -1.505 -7.488 -3.801
127 HG LEU 22 HG LEU 22 -3.587 -8.916 -5.430
128 HD11 LEU 22 1HD1 LEU 22 -1.612 -9.321 -6.477
129 HD12 LEU 22 2HD1 LEU 22 -1.536 -10.591 -5.256
130 HD13 LEU 22 3HD1 LEU 22 -0.656 -9.082 -5.014
131 HD21 LEU 22 3HD2 LEU 22 -2.667 -9.455 -2.651
132 HD22 LEU 22 1HD2 LEU 22 -2.929 -10.820 -3.737
133 HD23 LEU 22 2HD2 LEU 22 -4.250 -9.705 -3.387
134 H LYS 23 H LYS 23 -2.056 -7.500 -1.273
135 HA LYS 23 HA LYS 23 -1.898 -4.840 -0.156
136 HB2 LYS 23 1HB LYS 23 -2.116 -6.600 1.428
137 HB3 LYS 23 2HB LYS 23 -0.808 -7.519 0.695
138 HG2 LYS 23 1HG LYS 23 0.155 -6.648 2.611
139 HG3 LYS 23 2HG LYS 23 0.679 -5.527 1.353
140 HD2 LYS 23 1HD LYS 23 -1.860 -4.931 2.779
141 HD3 LYS 23 2HD LYS 23 -0.345 -4.685 3.652
142 HE2 LYS 23 1HE LYS 23 0.433 -3.336 1.663
143 HE3 LYS 23 2HE LYS 23 -1.225 -3.412 1.069
144 HZ1 LYS 23 3HZ LYS 23 -1.074 -1.406 2.233
145 HZ2 LYS 23 1HZ LYS 23 -0.219 -2.096 3.520
146 HZ3 LYS 23 2HZ LYS 23 -1.859 -2.449 3.308
147 H SER 24 H SER 24 0.137 -7.010 -1.987
148 HA SER 24 HA SER 24 2.548 -5.505 -1.575
149 HB2 SER 24 1HB SER 24 2.219 -8.035 -2.245
150 HB3 SER 24 2HB SER 24 2.209 -7.381 -3.883
151 HG SER 24 HG SER 24 4.241 -6.376 -3.348
152 H GLN 25 H GLN 25 -0.023 -5.579 -3.943
153 HA GLN 25 HA GLN 25 1.262 -4.106 -5.976
154 HB2 GLN 25 1HB GLN 25 -1.603 -4.655 -5.283
155 HB3 GLN 25 2HB GLN 25 -1.209 -3.511 -6.560
156 HG2 GLN 25 1HG GLN 25 0.305 -5.517 -7.384
157 HG3 GLN 25 2HG GLN 25 -0.879 -6.455 -6.475
158 HE21 GLN 25 1HE2 GLN 25 -2.404 -7.229 -7.726
159 HE22 GLN 25 2HE2 GLN 25 -3.111 -6.440 -9.090
160 H LEU 26 H LEU 26 -0.355 -3.169 -3.034
161 HA LEU 26 HA LEU 26 -0.567 -0.389 -3.740
162 HB2 LEU 26 1HB LEU 26 -2.189 -1.157 -2.229
163 HB3 LEU 26 2HB LEU 26 -0.987 -1.952 -1.214
164 HG LEU 26 HG LEU 26 -0.178 0.255 -0.479
165 HD11 LEU 26 1HD1 LEU 26 -0.593 1.864 -2.017
166 HD12 LEU 26 2HD1 LEU 26 -2.030 2.096 -1.022
167 HD13 LEU 26 3HD1 LEU 26 -2.131 1.156 -2.510
168 HD21 LEU 26 3HD2 LEU 26 -1.889 0.636 1.064
169 HD22 LEU 26 1HD2 LEU 26 -2.078 -1.062 0.629
170 HD23 LEU 26 2HD2 LEU 26 -3.149 0.151 -0.071
171 H ILE 27 H ILE 27 1.496 -2.296 -1.561
172 HA ILE 27 HA ILE 27 3.045 -0.287 -0.488
173 HB ILE 27 HB ILE 27 3.988 -3.034 -1.316
174 HG12 ILE 27 1HG1 ILE 27 3.123 -2.171 1.436
175 HG13 ILE 27 2HG1 ILE 27 1.966 -2.794 0.265
176 HG21 ILE 27 1HG2 ILE 27 5.258 -1.925 1.017
177 HG22 ILE 27 2HG2 ILE 27 5.981 -2.555 -0.461
178 HG23 ILE 27 3HG2 ILE 27 5.475 -0.868 -0.377
179 HD11 ILE 27 3HD1 ILE 27 4.186 -4.197 1.668
180 HD12 ILE 27 1HD1 ILE 27 2.503 -4.678 1.455
181 HD13 ILE 27 2HD1 ILE 27 3.629 -4.786 0.102
182 H ILE 28 H ILE 28 3.573 -2.034 -3.537
183 HA ILE 28 HA ILE 28 5.962 -0.768 -4.269
184 HB ILE 28 HB ILE 28 3.804 -1.891 -6.059
185 HG12 ILE 28 1HG1 ILE 28 6.393 -3.167 -5.167
186 HG13 ILE 28 2HG1 ILE 28 4.851 -3.447 -4.366
187 HG21 ILE 28 1HG2 ILE 28 5.354 -1.886 -7.833
188 HG22 ILE 28 2HG2 ILE 28 5.457 -0.282 -7.110
189 HG23 ILE 28 3HG2 ILE 28 6.697 -1.486 -6.763
190 HD11 ILE 28 3HD1 ILE 28 3.952 -4.499 -6.288
191 HD12 ILE 28 1HD1 ILE 28 5.320 -3.997 -7.281
192 HD13 ILE 28 2HD1 ILE 28 5.547 -5.197 -6.008
193 H HIS 29 H HIS 29 2.607 0.185 -4.682
194 HA HIS 29 HA HIS 29 3.099 2.333 -6.476
195 HB2 HIS 29 1HB HIS 29 0.884 1.556 -6.457
196 HB3 HIS 29 2HB HIS 29 0.794 1.579 -4.698
197 HD1 HIS 29 HD1 HIS 29 0.684 3.878 -7.677
198 HD2 HIS 29 HD2 HIS 29 -0.052 3.964 -3.589
199 HE1 HIS 29 HE1 HIS 29 -0.444 6.084 -7.243
200 H GLN 30 H GLN 30 2.444 2.262 -2.973
201 HA GLN 30 HA GLN 30 2.569 4.908 -2.354
202 HB2 GLN 30 1HB GLN 30 3.788 2.620 -0.801
203 HB3 GLN 30 2HB GLN 30 3.504 4.228 -0.149
204 HG2 GLN 30 1HG GLN 30 1.048 3.784 -0.916
205 HG3 GLN 30 2HG GLN 30 1.551 2.096 -0.854
206 HE21 GLN 30 1HE2 GLN 30 0.081 1.732 0.840
207 HE22 GLN 30 2HE2 GLN 30 0.422 2.247 2.453
208 H ARG 31 H ARG 31 5.125 2.955 -3.558
209 HA ARG 31 HA ARG 31 7.366 4.328 -2.596
210 HB2 ARG 31 1HB ARG 31 7.031 2.957 -5.270
211 HB3 ARG 31 2HB ARG 31 8.561 3.368 -4.508
212 HG2 ARG 31 1HG ARG 31 7.810 1.886 -2.578
213 HG3 ARG 31 2HG ARG 31 6.556 1.302 -3.673
214 HD2 ARG 31 1HD ARG 31 8.211 -0.236 -4.066
215 HD3 ARG 31 2HD ARG 31 8.581 0.963 -5.305
216 HE ARG 31 HE ARG 31 9.962 1.390 -2.818
217 HH11 ARG 31 1HH1 ARG 31 10.021 -0.248 -5.889
218 HH12 ARG 31 2HH1 ARG 31 11.743 -0.431 -5.906
219 HH21 ARG 31 1HH2 ARG 31 12.231 1.156 -2.828
220 HH22 ARG 31 2HH2 ARG 31 12.999 0.367 -4.164
221 H THR 32 H THR 32 5.646 4.743 -5.692
222 HA THR 32 HA THR 32 7.091 6.835 -6.740
223 HB THR 32 HB THR 32 5.093 5.568 -7.765
224 HG1 THR 32 HG1 THR 32 4.550 7.720 -8.915
225 HG21 THR 32 3HG2 THR 32 3.399 6.099 -6.140
226 HG22 THR 32 1HG2 THR 32 2.965 6.866 -7.667
227 HG23 THR 32 2HG2 THR 32 3.663 7.828 -6.365
228 H HIS 33 H HIS 33 5.007 6.853 -4.006
229 HA HIS 33 HA HIS 33 4.619 9.725 -4.021
230 HB2 HIS 33 1HB HIS 33 3.797 7.508 -2.160
231 HB3 HIS 33 2HB HIS 33 3.613 9.199 -1.702
232 HD1 HIS 33 HD1 HIS 33 2.332 10.587 -3.870
233 HD2 HIS 33 HD2 HIS 33 1.487 6.579 -3.177
234 HE1 HIS 33 HE1 HIS 33 0.110 10.168 -4.971
235 H THR 34 H THR 34 6.208 7.374 -1.861
236 HA THR 34 HA THR 34 7.440 9.268 -0.197
237 HB THR 34 HB THR 34 9.037 7.392 0.371
238 HG1 THR 34 HG1 THR 34 8.036 5.306 -0.555
239 HG21 THR 34 3HG2 THR 34 6.368 7.757 1.026
240 HG22 THR 34 1HG2 THR 34 7.520 6.727 1.874
241 HG23 THR 34 2HG2 THR 34 6.478 6.043 0.626
242 H GLY 35 H GLY 35 8.618 10.870 -1.106
243 HA2 GLY 35 1HA GLY 35 11.071 11.178 -1.610
244 HA3 GLY 35 2HA GLY 35 10.787 10.072 -2.946
245 H GLU 36 H GLU 36 8.748 12.736 -1.805
246 HA GLU 36 HA GLU 36 9.457 14.358 -4.105
247 HB2 GLU 36 1HB GLU 36 7.509 12.637 -4.609
248 HB3 GLU 36 2HB GLU 36 6.538 13.834 -3.764
249 HG2 GLU 36 1HG GLU 36 6.509 14.136 -6.197
250 HG3 GLU 36 2HG GLU 36 7.167 15.534 -5.348
251 H SER 37 H SER 37 8.805 16.529 -3.925
252 HA SER 37 HA SER 37 8.961 17.747 -1.516
253 HB2 SER 37 1HB SER 37 7.835 19.704 -2.520
254 HB3 SER 37 2HB SER 37 9.001 18.983 -3.629
255 HG SER 37 HG SER 37 6.186 18.884 -3.698
256 H GLY 38 H GLY 38 5.938 16.735 -3.092
257 HA2 GLY 38 1HA GLY 38 3.864 16.278 -2.220
258 HA3 GLY 38 2HA GLY 38 4.666 16.057 -0.672
259 HA PRO 39 HA PRO 39 3.153 20.669 -1.155
260 HB2 PRO 39 1HB PRO 39 0.909 20.886 -2.667
261 HB3 PRO 39 2HB PRO 39 2.536 21.072 -3.331
262 HG2 PRO 39 1HG PRO 39 0.724 18.690 -3.397
263 HG3 PRO 39 2HG PRO 39 1.737 19.361 -4.688
264 HD2 PRO 39 1HD PRO 39 2.474 17.201 -3.232
265 HD3 PRO 39 2HD PRO 39 3.650 18.364 -3.878
266 H SER 40 H SER 40 1.703 17.772 -0.418
267 HA SER 40 HA SER 40 -0.480 19.058 1.081
268 HB2 SER 40 1HB SER 40 -1.513 16.812 1.174
269 HB3 SER 40 2HB SER 40 -1.250 17.345 -0.486
270 HG SER 40 HG SER 40 0.072 15.357 0.982
271 H SER 41 H SER 41 -0.160 19.312 3.179
272 HA SER 41 HA SER 41 1.989 18.689 4.672
273 HB2 SER 41 1HB SER 41 -0.895 18.995 5.389
274 HB3 SER 41 2HB SER 41 0.228 18.456 6.638
275 HG SER 41 HG SER 41 0.556 20.532 6.835
276 H GLY 42 H GLY 42 2.945 16.943 5.517
277 HA2 GLY 42 1HA GLY 42 2.122 14.749 6.719
278 HA3 GLY 42 2HA GLY 42 1.674 14.347 5.068
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -31.553 -1.998 -8.117
2 HA2 GLY 1 1HA GLY 1 -32.404 -1.844 -10.396
3 HA3 GLY 1 2HA GLY 1 -31.231 -0.567 -10.680
4 H SER 2 H SER 2 -28.891 -1.507 -9.878
5 HA SER 2 HA SER 2 -28.433 -4.224 -10.689
6 HB2 SER 2 1HB SER 2 -27.918 -1.958 -12.563
7 HB3 SER 2 2HB SER 2 -26.753 -3.281 -12.516
8 HG SER 2 HG SER 2 -29.159 -3.204 -13.690
9 H SER 3 H SER 3 -26.905 -4.902 -9.356
10 HA SER 3 HA SER 3 -25.373 -3.284 -7.698
11 HB2 SER 3 1HB SER 3 -24.726 -6.095 -8.622
12 HB3 SER 3 2HB SER 3 -24.065 -5.297 -7.194
13 HG SER 3 HG SER 3 -26.757 -6.043 -7.676
14 H GLY 4 H GLY 4 -22.853 -3.515 -7.651
15 HA2 GLY 4 1HA GLY 4 -21.548 -3.512 -10.213
16 HA3 GLY 4 2HA GLY 4 -21.738 -1.898 -9.545
17 H SER 5 H SER 5 -20.837 -5.090 -8.229
18 HA SER 5 HA SER 5 -18.430 -3.819 -7.100
19 HB2 SER 5 1HB SER 5 -20.284 -5.845 -5.845
20 HB3 SER 5 2HB SER 5 -18.659 -5.538 -5.234
21 HG SER 5 HG SER 5 -19.249 -3.410 -4.831
22 H SER 6 H SER 6 -17.251 -4.506 -8.948
23 HA SER 6 HA SER 6 -16.710 -7.403 -8.991
24 HB2 SER 6 1HB SER 6 -17.850 -6.519 -11.052
25 HB3 SER 6 2HB SER 6 -16.429 -5.515 -11.338
26 HG SER 6 HG SER 6 -15.366 -7.779 -11.040
27 H GLY 7 H GLY 7 -14.805 -7.796 -8.083
28 HA2 GLY 7 1HA GLY 7 -12.514 -7.746 -7.793
29 HA3 GLY 7 2HA GLY 7 -12.425 -6.527 -9.056
30 H GLU 8 H GLU 8 -13.896 -6.686 -5.809
31 HA GLU 8 HA GLU 8 -13.424 -3.965 -5.238
32 HB2 GLU 8 1HB GLU 8 -14.126 -4.468 -2.996
33 HB3 GLU 8 2HB GLU 8 -15.128 -5.390 -4.108
34 HG2 GLU 8 1HG GLU 8 -12.744 -6.495 -2.643
35 HG3 GLU 8 2HG GLU 8 -14.417 -6.663 -2.113
36 H LYS 9 H LYS 9 -11.823 -2.929 -4.120
37 HA LYS 9 HA LYS 9 -9.407 -4.517 -3.552
38 HB2 LYS 9 1HB LYS 9 -9.557 -1.586 -4.276
39 HB3 LYS 9 2HB LYS 9 -8.094 -2.535 -4.052
40 HG2 LYS 9 1HG LYS 9 -8.506 -3.797 -6.016
41 HG3 LYS 9 2HG LYS 9 -10.141 -3.150 -6.165
42 HD2 LYS 9 1HD LYS 9 -9.290 -0.962 -6.672
43 HD3 LYS 9 2HD LYS 9 -7.636 -1.477 -6.331
44 HE2 LYS 9 1HE LYS 9 -7.448 -2.639 -8.296
45 HE3 LYS 9 2HE LYS 9 -9.180 -2.953 -8.402
46 HZ1 LYS 9 3HZ LYS 9 -7.818 -0.372 -8.949
47 HZ2 LYS 9 1HZ LYS 9 -9.496 -0.589 -8.943
48 HZ3 LYS 9 2HZ LYS 9 -8.543 -1.392 -10.087
49 HA PRO 10 HA PRO 10 -10.610 -3.142 0.603
50 HB2 PRO 10 1HB PRO 10 -9.168 -5.057 1.877
51 HB3 PRO 10 2HB PRO 10 -10.775 -5.354 1.202
52 HG2 PRO 10 1HG PRO 10 -8.088 -6.001 0.052
53 HG3 PRO 10 2HG PRO 10 -9.558 -6.992 0.088
54 HD2 PRO 10 1HD PRO 10 -8.784 -5.613 -2.110
55 HD3 PRO 10 2HD PRO 10 -10.491 -5.898 -1.713
56 H TYR 11 H TYR 11 -7.852 -2.872 -1.172
57 HA TYR 11 HA TYR 11 -6.376 -1.652 1.069
58 HB2 TYR 11 1HB TYR 11 -5.182 -2.902 -1.413
59 HB3 TYR 11 2HB TYR 11 -4.293 -2.210 -0.061
60 HD1 TYR 11 HD1 TYR 11 -6.267 -5.071 -1.215
61 HD2 TYR 11 HD2 TYR 11 -4.093 -3.407 2.042
62 HE1 TYR 11 HE1 TYR 11 -6.250 -7.269 -0.111
63 HE2 TYR 11 HE2 TYR 11 -4.070 -5.600 3.155
64 HH TYR 11 HH TYR 11 -5.968 -7.916 2.694
65 H GLU 12 H GLU 12 -6.237 0.478 0.927
66 HA GLU 12 HA GLU 12 -6.273 1.717 -1.747
67 HB2 GLU 12 1HB GLU 12 -8.244 2.030 0.033
68 HB3 GLU 12 2HB GLU 12 -7.161 3.286 0.617
69 HG2 GLU 12 1HG GLU 12 -7.184 4.372 -1.530
70 HG3 GLU 12 2HG GLU 12 -8.147 3.065 -2.217
71 H CYS 13 H CYS 13 -5.028 3.627 -2.032
72 HA CYS 13 HA CYS 13 -2.558 3.584 -0.553
73 HB2 CYS 13 1HB CYS 13 -2.569 3.927 -2.988
74 HB3 CYS 13 2HB CYS 13 -3.479 5.419 -2.776
75 H THR 14 H THR 14 -2.177 4.695 1.234
76 HA THR 14 HA THR 14 -4.005 6.748 2.117
77 HB THR 14 HB THR 14 -2.574 6.838 4.145
78 HG1 THR 14 HG1 THR 14 -1.112 4.755 2.855
79 HG21 THR 14 3HG2 THR 14 -3.309 4.800 5.040
80 HG22 THR 14 1HG2 THR 14 -3.144 3.959 3.499
81 HG23 THR 14 2HG2 THR 14 -4.446 5.126 3.732
82 H ASP 15 H ASP 15 -2.460 7.337 -0.263
83 HA ASP 15 HA ASP 15 -1.072 9.743 0.707
84 HB2 ASP 15 1HB ASP 15 0.358 7.726 -0.265
85 HB3 ASP 15 2HB ASP 15 -0.119 8.441 -1.802
86 H CYS 16 H CYS 16 -2.834 8.162 -1.904
87 HA CYS 16 HA CYS 16 -3.707 10.818 -2.821
88 HB2 CYS 16 1HB CYS 16 -3.727 9.924 -5.149
89 HB3 CYS 16 2HB CYS 16 -2.113 10.035 -4.455
90 H GLY 17 H GLY 17 -4.420 7.432 -2.328
91 HA2 GLY 17 1HA GLY 17 -6.699 6.986 -1.483
92 HA3 GLY 17 2HA GLY 17 -7.280 8.045 -2.760
93 H LYS 18 H LYS 18 -4.860 6.508 -4.220
94 HA LYS 18 HA LYS 18 -6.301 5.050 -6.005
95 HB2 LYS 18 1HB LYS 18 -3.703 5.517 -5.758
96 HB3 LYS 18 2HB LYS 18 -3.704 3.882 -5.110
97 HG2 LYS 18 1HG LYS 18 -4.217 2.935 -7.115
98 HG3 LYS 18 2HG LYS 18 -5.104 4.351 -7.684
99 HD2 LYS 18 1HD LYS 18 -2.692 5.445 -7.578
100 HD3 LYS 18 2HD LYS 18 -2.189 3.764 -7.772
101 HE2 LYS 18 1HE LYS 18 -4.243 5.010 -9.571
102 HE3 LYS 18 2HE LYS 18 -2.518 5.185 -9.886
103 HZ1 LYS 18 3HZ LYS 18 -4.218 2.832 -10.118
104 HZ2 LYS 18 1HZ LYS 18 -2.650 2.571 -9.539
105 HZ3 LYS 18 2HZ LYS 18 -2.884 3.300 -11.047
106 H ALA 19 H ALA 19 -6.270 2.609 -6.304
107 HA ALA 19 HA ALA 19 -6.753 1.220 -3.757
108 HB1 ALA 19 3HB ALA 19 -8.940 1.648 -4.416
109 HB2 ALA 19 1HB ALA 19 -8.577 1.407 -6.125
110 HB3 ALA 19 2HB ALA 19 -8.645 0.023 -5.034
111 H PHE 20 H PHE 20 -6.453 -1.054 -3.804
112 HA PHE 20 HA PHE 20 -5.377 -2.264 -6.212
113 HB2 PHE 20 1HB PHE 20 -3.727 -2.077 -3.683
114 HB3 PHE 20 2HB PHE 20 -3.292 -2.983 -5.128
115 HD1 PHE 20 HD2 PHE 20 -2.550 -1.846 -7.134
116 HD2 PHE 20 HD1 PHE 20 -3.574 0.328 -3.621
117 HE1 PHE 20 HE2 PHE 20 -1.441 0.149 -8.050
118 HE2 PHE 20 HE1 PHE 20 -2.467 2.328 -4.532
119 HZ PHE 20 HZ PHE 20 -1.397 2.240 -6.749
120 H GLY 21 H GLY 21 -6.090 -4.288 -6.367
121 HA2 GLY 21 1HA GLY 21 -7.699 -5.468 -4.371
122 HA3 GLY 21 2HA GLY 21 -7.096 -6.276 -5.811
123 H LEU 22 H LEU 22 -4.301 -5.439 -4.783
124 HA LEU 22 HA LEU 22 -4.031 -7.674 -2.883
125 HB2 LEU 22 1HB LEU 22 -2.424 -6.819 -5.221
126 HB3 LEU 22 2HB LEU 22 -1.547 -7.456 -3.831
127 HG LEU 22 HG LEU 22 -3.530 -8.864 -5.597
128 HD11 LEU 22 1HD1 LEU 22 -1.504 -9.250 -6.545
129 HD12 LEU 22 2HD1 LEU 22 -1.479 -10.533 -5.336
130 HD13 LEU 22 3HD1 LEU 22 -0.625 -9.020 -5.033
131 HD21 LEU 22 3HD2 LEU 22 -4.300 -9.845 -3.726
132 HD22 LEU 22 1HD2 LEU 22 -2.916 -9.331 -2.761
133 HD23 LEU 22 2HD2 LEU 22 -2.788 -10.750 -3.800
134 H LYS 23 H LYS 23 -2.227 -7.499 -1.351
135 HA LYS 23 HA LYS 23 -2.149 -4.849 -0.196
136 HB2 LYS 23 1HB LYS 23 -2.466 -6.639 1.346
137 HB3 LYS 23 2HB LYS 23 -1.095 -7.529 0.699
138 HG2 LYS 23 1HG LYS 23 -0.217 -6.681 2.638
139 HG3 LYS 23 2HG LYS 23 0.268 -5.448 1.472
140 HD2 LYS 23 1HD LYS 23 -1.737 -4.132 2.105
141 HD3 LYS 23 2HD LYS 23 -2.096 -5.336 3.345
142 HE2 LYS 23 1HE LYS 23 -0.961 -3.505 4.386
143 HE3 LYS 23 2HE LYS 23 0.142 -4.879 4.338
144 HZ1 LYS 23 3HZ LYS 23 0.902 -3.768 2.131
145 HZ2 LYS 23 1HZ LYS 23 1.480 -3.189 3.611
146 HZ3 LYS 23 2HZ LYS 23 0.233 -2.371 2.813
147 H SER 24 H SER 24 -0.028 -6.978 -1.960
148 HA SER 24 HA SER 24 2.362 -5.486 -1.376
149 HB2 SER 24 1HB SER 24 2.506 -7.879 -1.862
150 HB3 SER 24 2HB SER 24 1.819 -7.612 -3.463
151 HG SER 24 HG SER 24 3.844 -5.988 -3.320
152 H GLN 25 H GLN 25 -0.074 -5.528 -3.879
153 HA GLN 25 HA GLN 25 1.328 -4.043 -5.827
154 HB2 GLN 25 1HB GLN 25 -1.568 -4.607 -5.301
155 HB3 GLN 25 2HB GLN 25 -1.115 -3.434 -6.530
156 HG2 GLN 25 1HG GLN 25 0.455 -5.418 -7.311
157 HG3 GLN 25 2HG GLN 25 -0.779 -6.376 -6.495
158 HE21 GLN 25 1HE2 GLN 25 -2.782 -6.569 -7.390
159 HE22 GLN 25 2HE2 GLN 25 -3.192 -5.961 -8.955
160 H LEU 26 H LEU 26 -0.362 -3.136 -2.934
161 HA LEU 26 HA LEU 26 -0.547 -0.342 -3.639
162 HB2 LEU 26 1HB LEU 26 -2.273 -1.077 -2.247
163 HB3 LEU 26 2HB LEU 26 -1.168 -1.946 -1.185
164 HG LEU 26 HG LEU 26 -0.322 0.234 -0.359
165 HD11 LEU 26 1HD1 LEU 26 -2.674 1.589 -1.576
166 HD12 LEU 26 2HD1 LEU 26 -1.222 1.368 -2.552
167 HD13 LEU 26 3HD1 LEU 26 -1.136 2.261 -1.033
168 HD21 LEU 26 3HD2 LEU 26 -3.254 -0.392 -0.100
169 HD22 LEU 26 1HD2 LEU 26 -2.445 0.842 0.867
170 HD23 LEU 26 2HD2 LEU 26 -1.940 -0.844 0.988
171 H ILE 27 H ILE 27 1.323 -2.275 -1.309
172 HA ILE 27 HA ILE 27 2.825 -0.299 -0.131
173 HB ILE 27 HB ILE 27 3.768 -3.061 -0.909
174 HG12 ILE 27 1HG1 ILE 27 2.727 -2.117 1.763
175 HG13 ILE 27 2HG1 ILE 27 1.691 -2.850 0.544
176 HG21 ILE 27 1HG2 ILE 27 5.732 -2.615 0.026
177 HG22 ILE 27 2HG2 ILE 27 5.253 -0.920 0.102
178 HG23 ILE 27 3HG2 ILE 27 4.955 -1.983 1.478
179 HD11 ILE 27 3HD1 ILE 27 4.120 -4.355 1.250
180 HD12 ILE 27 1HD1 ILE 27 2.885 -4.225 2.502
181 HD13 ILE 27 2HD1 ILE 27 2.480 -4.920 0.932
182 H ILE 28 H ILE 28 3.513 -2.007 -3.167
183 HA ILE 28 HA ILE 28 5.964 -0.725 -3.707
184 HB ILE 28 HB ILE 28 3.983 -1.948 -5.631
185 HG12 ILE 28 1HG1 ILE 28 6.566 -3.151 -4.656
186 HG13 ILE 28 2HG1 ILE 28 5.060 -3.372 -3.773
187 HG21 ILE 28 1HG2 ILE 28 6.075 -2.158 -7.075
188 HG22 ILE 28 2HG2 ILE 28 5.343 -0.560 -6.942
189 HG23 ILE 28 3HG2 ILE 28 6.788 -0.947 -6.009
190 HD11 ILE 28 3HD1 ILE 28 4.748 -5.157 -5.050
191 HD12 ILE 28 1HD1 ILE 28 4.384 -4.031 -6.357
192 HD13 ILE 28 2HD1 ILE 28 6.016 -4.674 -6.176
193 H HIS 29 H HIS 29 2.629 0.100 -4.487
194 HA HIS 29 HA HIS 29 3.219 2.237 -6.249
195 HB2 HIS 29 1HB HIS 29 1.033 1.382 -6.398
196 HB3 HIS 29 2HB HIS 29 0.786 1.466 -4.656
197 HD1 HIS 29 HD1 HIS 29 1.085 3.760 -7.656
198 HD2 HIS 29 HD2 HIS 29 -0.419 3.755 -3.783
199 HE1 HIS 29 HE1 HIS 29 -0.183 5.919 -7.425
200 H GLN 30 H GLN 30 2.380 2.163 -2.793
201 HA GLN 30 HA GLN 30 2.340 4.844 -2.228
202 HB2 GLN 30 1HB GLN 30 3.223 2.466 -0.630
203 HB3 GLN 30 2HB GLN 30 3.370 4.084 0.044
204 HG2 GLN 30 1HG GLN 30 0.896 4.352 -0.526
205 HG3 GLN 30 2HG GLN 30 0.888 2.602 -0.738
206 HE21 GLN 30 1HE2 GLN 30 0.335 1.483 0.978
207 HE22 GLN 30 2HE2 GLN 30 0.503 1.983 2.623
208 H ARG 31 H ARG 31 5.018 2.959 -3.224
209 HA ARG 31 HA ARG 31 7.141 4.404 -2.086
210 HB2 ARG 31 1HB ARG 31 7.034 2.908 -4.712
211 HB3 ARG 31 2HB ARG 31 8.505 3.448 -3.915
212 HG2 ARG 31 1HG ARG 31 7.579 2.045 -1.912
213 HG3 ARG 31 2HG ARG 31 6.651 1.240 -3.179
214 HD2 ARG 31 1HD ARG 31 8.530 -0.059 -3.184
215 HD3 ARG 31 2HD ARG 31 9.000 1.157 -4.371
216 HE ARG 31 HE ARG 31 10.585 1.940 -2.904
217 HH11 ARG 31 1HH1 ARG 31 8.428 -0.231 -1.245
218 HH12 ARG 31 2HH1 ARG 31 9.396 -0.304 0.191
219 HH21 ARG 31 1HH2 ARG 31 11.868 1.852 -1.020
220 HH22 ARG 31 2HH2 ARG 31 11.352 0.882 0.318
221 H THR 32 H THR 32 5.557 4.739 -5.255
222 HA THR 32 HA THR 32 7.053 6.783 -6.328
223 HB THR 32 HB THR 32 5.160 5.566 -7.460
224 HG1 THR 32 HG1 THR 32 5.282 7.133 -8.876
225 HG21 THR 32 3HG2 THR 32 2.967 6.012 -7.037
226 HG22 THR 32 1HG2 THR 32 3.285 7.675 -6.546
227 HG23 THR 32 2HG2 THR 32 3.611 6.348 -5.430
228 H HIS 33 H HIS 33 4.938 6.900 -3.626
229 HA HIS 33 HA HIS 33 4.632 9.790 -3.724
230 HB2 HIS 33 1HB HIS 33 3.668 7.692 -1.778
231 HB3 HIS 33 2HB HIS 33 3.410 9.418 -1.538
232 HD1 HIS 33 HD1 HIS 33 2.167 10.565 -3.781
233 HD2 HIS 33 HD2 HIS 33 1.592 6.519 -3.033
234 HE1 HIS 33 HE1 HIS 33 0.085 9.938 -5.044
235 H THR 34 H THR 34 7.292 8.531 -3.429
236 HA THR 34 HA THR 34 8.069 9.860 -0.920
237 HB THR 34 HB THR 34 9.741 8.193 -0.467
238 HG1 THR 34 HG1 THR 34 9.685 6.256 -1.924
239 HG21 THR 34 3HG2 THR 34 8.349 6.608 0.384
240 HG22 THR 34 1HG2 THR 34 7.487 6.389 -1.138
241 HG23 THR 34 2HG2 THR 34 7.121 7.773 -0.108
242 H GLY 35 H GLY 35 8.500 11.707 -2.287
243 HA2 GLY 35 1HA GLY 35 9.748 12.957 -3.801
244 HA3 GLY 35 2HA GLY 35 11.049 12.333 -2.798
245 H GLU 36 H GLU 36 9.345 12.022 -5.821
246 HA GLU 36 HA GLU 36 10.250 9.749 -6.955
247 HB2 GLU 36 1HB GLU 36 8.878 11.455 -8.113
248 HB3 GLU 36 2HB GLU 36 10.314 12.450 -8.310
249 HG2 GLU 36 1HG GLU 36 11.324 10.823 -9.744
250 HG3 GLU 36 2HG GLU 36 10.023 9.675 -9.431
251 H SER 37 H SER 37 12.121 12.775 -6.817
252 HA SER 37 HA SER 37 14.545 11.203 -7.391
253 HB2 SER 37 1HB SER 37 13.868 13.069 -8.999
254 HB3 SER 37 2HB SER 37 14.280 14.194 -7.705
255 HG SER 37 HG SER 37 15.943 13.425 -9.399
256 H GLY 38 H GLY 38 16.394 11.510 -6.142
257 HA2 GLY 38 1HA GLY 38 17.306 13.161 -4.371
258 HA3 GLY 38 2HA GLY 38 15.857 12.684 -3.499
259 HA PRO 39 HA PRO 39 18.221 9.476 -1.646
260 HB2 PRO 39 1HB PRO 39 16.193 7.858 -0.847
261 HB3 PRO 39 2HB PRO 39 16.573 9.388 -0.048
262 HG2 PRO 39 1HG PRO 39 14.456 8.784 -2.077
263 HG3 PRO 39 2HG PRO 39 14.345 9.761 -0.602
264 HD2 PRO 39 1HD PRO 39 14.632 10.861 -3.059
265 HD3 PRO 39 2HD PRO 39 15.314 11.601 -1.596
266 H SER 40 H SER 40 16.289 9.043 -4.413
267 HA SER 40 HA SER 40 16.050 6.454 -5.004
268 HB2 SER 40 1HB SER 40 15.643 8.283 -6.622
269 HB3 SER 40 2HB SER 40 17.382 8.435 -6.868
270 HG SER 40 HG SER 40 17.250 6.111 -7.457
271 H SER 41 H SER 41 17.261 4.689 -4.934
272 HA SER 41 HA SER 41 19.064 3.313 -4.724
273 HB2 SER 41 1HB SER 41 20.063 5.321 -6.739
274 HB3 SER 41 2HB SER 41 21.043 3.943 -6.237
275 HG SER 41 HG SER 41 19.966 3.074 -7.862
276 H GLY 42 H GLY 42 18.818 4.954 -2.582
277 HA2 GLY 42 1HA GLY 42 21.276 6.357 -2.037
278 HA3 GLY 42 2HA GLY 42 19.957 6.082 -0.909
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -9.685 3.870 -20.388
2 HA2 GLY 1 1HA GLY 1 -9.669 1.009 -20.050
3 HA3 GLY 1 2HA GLY 1 -8.758 1.857 -18.809
4 H SER 2 H SER 2 -11.902 2.205 -20.460
5 HA SER 2 HA SER 2 -13.118 3.335 -18.120
6 HB2 SER 2 1HB SER 2 -14.058 2.597 -20.866
7 HB3 SER 2 2HB SER 2 -15.252 2.885 -19.601
8 HG SER 2 HG SER 2 -14.968 4.884 -20.250
9 H SER 3 H SER 3 -13.777 0.351 -19.964
10 HA SER 3 HA SER 3 -14.671 -0.886 -17.442
11 HB2 SER 3 1HB SER 3 -16.269 -2.218 -18.753
12 HB3 SER 3 2HB SER 3 -16.565 -0.492 -18.961
13 HG SER 3 HG SER 3 -16.496 -1.925 -20.912
14 H GLY 4 H GLY 4 -13.237 -2.347 -16.799
15 HA2 GLY 4 1HA GLY 4 -12.207 -4.261 -18.772
16 HA3 GLY 4 2HA GLY 4 -11.052 -3.378 -17.784
17 H SER 5 H SER 5 -10.710 -3.979 -15.683
18 HA SER 5 HA SER 5 -12.340 -6.187 -14.632
19 HB2 SER 5 1HB SER 5 -10.106 -6.924 -15.677
20 HB3 SER 5 2HB SER 5 -9.344 -6.132 -14.298
21 HG SER 5 HG SER 5 -9.945 -7.727 -13.065
22 H SER 6 H SER 6 -13.362 -5.019 -13.075
23 HA SER 6 HA SER 6 -11.656 -3.660 -11.093
24 HB2 SER 6 1HB SER 6 -13.435 -2.339 -12.495
25 HB3 SER 6 2HB SER 6 -14.583 -3.063 -11.369
26 HG SER 6 HG SER 6 -13.498 -0.912 -10.869
27 H GLY 7 H GLY 7 -12.260 -3.834 -8.869
28 HA2 GLY 7 1HA GLY 7 -14.205 -5.919 -8.201
29 HA3 GLY 7 2HA GLY 7 -12.538 -6.174 -7.708
30 H GLU 8 H GLU 8 -12.847 -6.095 -5.520
31 HA GLU 8 HA GLU 8 -13.857 -3.545 -4.442
32 HB2 GLU 8 1HB GLU 8 -13.885 -6.270 -3.133
33 HB3 GLU 8 2HB GLU 8 -14.473 -4.781 -2.408
34 HG2 GLU 8 1HG GLU 8 -16.241 -4.617 -3.999
35 HG3 GLU 8 2HG GLU 8 -15.585 -5.954 -4.943
36 H LYS 9 H LYS 9 -11.269 -3.571 -5.225
37 HA LYS 9 HA LYS 9 -9.203 -4.431 -3.777
38 HB2 LYS 9 1HB LYS 9 -9.621 -1.528 -4.513
39 HB3 LYS 9 2HB LYS 9 -8.073 -2.274 -4.137
40 HG2 LYS 9 1HG LYS 9 -8.094 -3.561 -6.103
41 HG3 LYS 9 2HG LYS 9 -9.806 -3.241 -6.388
42 HD2 LYS 9 1HD LYS 9 -9.291 -0.876 -6.784
43 HD3 LYS 9 2HD LYS 9 -7.579 -1.206 -6.510
44 HE2 LYS 9 1HE LYS 9 -7.779 -2.908 -8.398
45 HE3 LYS 9 2HE LYS 9 -9.331 -2.155 -8.761
46 HZ1 LYS 9 3HZ LYS 9 -6.686 -0.805 -8.752
47 HZ2 LYS 9 1HZ LYS 9 -8.166 -0.030 -9.018
48 HZ3 LYS 9 2HZ LYS 9 -7.611 -1.191 -10.115
49 HA PRO 10 HA PRO 10 -10.625 -3.266 0.370
50 HB2 PRO 10 1HB PRO 10 -9.045 -5.070 1.643
51 HB3 PRO 10 2HB PRO 10 -10.599 -5.497 0.917
52 HG2 PRO 10 1HG PRO 10 -7.835 -5.867 -0.171
53 HG3 PRO 10 2HG PRO 10 -9.207 -6.990 -0.198
54 HD2 PRO 10 1HD PRO 10 -8.508 -5.493 -2.343
55 HD3 PRO 10 2HD PRO 10 -10.191 -5.943 -2.000
56 H TYR 11 H TYR 11 -7.649 -3.029 -1.232
57 HA TYR 11 HA TYR 11 -6.415 -1.634 1.047
58 HB2 TYR 11 1HB TYR 11 -5.048 -2.657 -1.448
59 HB3 TYR 11 2HB TYR 11 -4.272 -2.015 -0.004
60 HD1 TYR 11 HD1 TYR 11 -6.091 -4.883 -1.417
61 HD2 TYR 11 HD2 TYR 11 -3.995 -3.371 1.963
62 HE1 TYR 11 HE1 TYR 11 -5.980 -7.153 -0.478
63 HE2 TYR 11 HE2 TYR 11 -3.878 -5.637 2.911
64 HH TYR 11 HH TYR 11 -4.581 -8.418 1.121
65 H GLU 12 H GLU 12 -6.333 0.505 0.977
66 HA GLU 12 HA GLU 12 -6.420 1.833 -1.652
67 HB2 GLU 12 1HB GLU 12 -8.016 2.317 0.812
68 HB3 GLU 12 2HB GLU 12 -7.520 3.723 -0.120
69 HG2 GLU 12 1HG GLU 12 -9.557 3.273 -1.050
70 HG3 GLU 12 2HG GLU 12 -8.490 2.378 -2.131
71 H CYS 13 H CYS 13 -5.114 3.605 -1.953
72 HA CYS 13 HA CYS 13 -2.883 3.839 -0.130
73 HB2 CYS 13 1HB CYS 13 -2.520 3.804 -2.568
74 HB3 CYS 13 2HB CYS 13 -3.447 5.293 -2.723
75 H THR 14 H THR 14 -3.323 4.962 1.678
76 HA THR 14 HA THR 14 -5.144 7.067 1.935
77 HB THR 14 HB THR 14 -3.917 7.632 4.038
78 HG1 THR 14 HG1 THR 14 -2.175 5.587 3.087
79 HG21 THR 14 3HG2 THR 14 -5.457 5.423 3.459
80 HG22 THR 14 1HG2 THR 14 -5.012 5.972 5.074
81 HG23 THR 14 2HG2 THR 14 -4.055 4.727 4.271
82 H ASP 15 H ASP 15 -1.957 7.011 0.646
83 HA ASP 15 HA ASP 15 -1.161 9.665 1.090
84 HB2 ASP 15 1HB ASP 15 0.155 7.635 0.109
85 HB3 ASP 15 2HB ASP 15 -0.461 8.207 -1.438
86 H CYS 16 H CYS 16 -2.553 8.265 -1.885
87 HA CYS 16 HA CYS 16 -3.532 10.954 -2.577
88 HB2 CYS 16 1HB CYS 16 -3.567 10.178 -4.912
89 HB3 CYS 16 2HB CYS 16 -1.959 10.037 -4.209
90 H GLY 17 H GLY 17 -4.403 7.521 -2.511
91 HA2 GLY 17 1HA GLY 17 -6.709 7.192 -1.532
92 HA3 GLY 17 2HA GLY 17 -7.235 8.320 -2.773
93 H LYS 18 H LYS 18 -4.749 6.381 -3.914
94 HA LYS 18 HA LYS 18 -6.349 5.121 -5.849
95 HB2 LYS 18 1HB LYS 18 -3.742 5.572 -5.702
96 HB3 LYS 18 2HB LYS 18 -3.725 3.931 -5.070
97 HG2 LYS 18 1HG LYS 18 -4.324 3.007 -7.063
98 HG3 LYS 18 2HG LYS 18 -5.223 4.434 -7.582
99 HD2 LYS 18 1HD LYS 18 -2.795 5.506 -7.553
100 HD3 LYS 18 2HD LYS 18 -2.321 3.823 -7.799
101 HE2 LYS 18 1HE LYS 18 -3.943 3.753 -9.714
102 HE3 LYS 18 2HE LYS 18 -4.141 5.495 -9.524
103 HZ1 LYS 18 3HZ LYS 18 -2.485 5.491 -11.043
104 HZ2 LYS 18 1HZ LYS 18 -1.878 3.984 -10.571
105 HZ3 LYS 18 2HZ LYS 18 -1.513 5.364 -9.664
106 H ALA 19 H ALA 19 -5.967 2.571 -6.120
107 HA ALA 19 HA ALA 19 -6.498 1.208 -3.587
108 HB1 ALA 19 3HB ALA 19 -8.422 1.532 -5.821
109 HB2 ALA 19 1HB ALA 19 -8.362 -0.034 -5.010
110 HB3 ALA 19 2HB ALA 19 -8.707 1.427 -4.083
111 H PHE 20 H PHE 20 -6.389 -1.152 -3.777
112 HA PHE 20 HA PHE 20 -5.282 -2.302 -6.169
113 HB2 PHE 20 1HB PHE 20 -3.539 -2.176 -3.700
114 HB3 PHE 20 2HB PHE 20 -3.142 -2.966 -5.222
115 HD1 PHE 20 HD1 PHE 20 -3.662 0.287 -3.578
116 HD2 PHE 20 HD2 PHE 20 -2.297 -1.736 -7.065
117 HE1 PHE 20 HE1 PHE 20 -2.644 2.376 -4.387
118 HE2 PHE 20 HE2 PHE 20 -1.277 0.350 -7.880
119 HZ PHE 20 HZ PHE 20 -1.449 2.409 -6.540
120 H GLY 21 H GLY 21 -6.064 -4.297 -6.307
121 HA2 GLY 21 1HA GLY 21 -7.583 -5.512 -4.296
122 HA3 GLY 21 2HA GLY 21 -6.961 -6.326 -5.723
123 H LEU 22 H LEU 22 -4.167 -5.562 -4.851
124 HA LEU 22 HA LEU 22 -3.857 -7.737 -2.897
125 HB2 LEU 22 1HB LEU 22 -2.253 -6.798 -5.205
126 HB3 LEU 22 2HB LEU 22 -1.371 -7.427 -3.815
127 HG LEU 22 HG LEU 22 -3.294 -8.872 -5.618
128 HD11 LEU 22 1HD1 LEU 22 -1.250 -9.172 -6.561
129 HD12 LEU 22 2HD1 LEU 22 -1.191 -10.475 -5.375
130 HD13 LEU 22 3HD1 LEU 22 -0.388 -8.942 -5.039
131 HD21 LEU 22 3HD2 LEU 22 -2.781 -10.820 -4.008
132 HD22 LEU 22 1HD2 LEU 22 -4.022 -9.653 -3.555
133 HD23 LEU 22 2HD2 LEU 22 -2.414 -9.553 -2.837
134 H LYS 23 H LYS 23 -1.955 -7.519 -1.424
135 HA LYS 23 HA LYS 23 -2.011 -4.886 -0.200
136 HB2 LYS 23 1HB LYS 23 -2.279 -6.726 1.304
137 HB3 LYS 23 2HB LYS 23 -0.854 -7.535 0.666
138 HG2 LYS 23 1HG LYS 23 0.008 -6.678 2.588
139 HG3 LYS 23 2HG LYS 23 0.347 -5.341 1.486
140 HD2 LYS 23 1HD LYS 23 -1.807 -4.301 2.213
141 HD3 LYS 23 2HD LYS 23 -1.948 -5.573 3.429
142 HE2 LYS 23 1HE LYS 23 0.542 -3.927 3.272
143 HE3 LYS 23 2HE LYS 23 -0.894 -3.272 4.058
144 HZ1 LYS 23 3HZ LYS 23 -0.246 -5.949 4.886
145 HZ2 LYS 23 1HZ LYS 23 -0.612 -4.587 5.820
146 HZ3 LYS 23 2HZ LYS 23 0.963 -4.825 5.253
147 H SER 24 H SER 24 0.178 -6.921 -1.991
148 HA SER 24 HA SER 24 2.517 -5.357 -1.380
149 HB2 SER 24 1HB SER 24 2.399 -7.865 -2.046
150 HB3 SER 24 2HB SER 24 2.310 -7.260 -3.699
151 HG SER 24 HG SER 24 4.453 -7.578 -3.224
152 H GLN 25 H GLN 25 0.127 -5.510 -3.937
153 HA GLN 25 HA GLN 25 1.454 -3.985 -5.877
154 HB2 GLN 25 1HB GLN 25 -1.431 -4.544 -5.286
155 HB3 GLN 25 2HB GLN 25 -1.000 -3.380 -6.533
156 HG2 GLN 25 1HG GLN 25 0.543 -5.361 -7.348
157 HG3 GLN 25 2HG GLN 25 -0.651 -6.324 -6.479
158 HE21 GLN 25 1HE2 GLN 25 -2.334 -6.959 -7.608
159 HE22 GLN 25 2HE2 GLN 25 -2.943 -6.212 -9.042
160 H LEU 26 H LEU 26 -0.306 -3.062 -3.005
161 HA LEU 26 HA LEU 26 -0.457 -0.276 -3.697
162 HB2 LEU 26 1HB LEU 26 -2.162 -1.032 -2.278
163 HB3 LEU 26 2HB LEU 26 -1.027 -1.861 -1.216
164 HG LEU 26 HG LEU 26 -0.211 0.346 -0.437
165 HD11 LEU 26 1HD1 LEU 26 -2.402 1.340 -2.241
166 HD12 LEU 26 2HD1 LEU 26 -0.693 1.772 -2.262
167 HD13 LEU 26 3HD1 LEU 26 -1.719 2.303 -0.930
168 HD21 LEU 26 3HD2 LEU 26 -3.131 -0.317 -0.136
169 HD22 LEU 26 1HD2 LEU 26 -2.327 0.941 0.803
170 HD23 LEU 26 2HD2 LEU 26 -1.800 -0.736 0.943
171 H ILE 27 H ILE 27 1.435 -2.181 -1.358
172 HA ILE 27 HA ILE 27 2.952 -0.187 -0.230
173 HB ILE 27 HB ILE 27 3.919 -2.951 -0.971
174 HG12 ILE 27 1HG1 ILE 27 2.844 -2.050 1.697
175 HG13 ILE 27 2HG1 ILE 27 1.793 -2.711 0.449
176 HG21 ILE 27 1HG2 ILE 27 5.013 -1.796 1.443
177 HG22 ILE 27 2HG2 ILE 27 5.840 -2.505 0.057
178 HG23 ILE 27 3HG2 ILE 27 5.370 -0.805 0.029
179 HD11 ILE 27 3HD1 ILE 27 2.505 -4.363 2.143
180 HD12 ILE 27 1HD1 ILE 27 2.960 -4.800 0.497
181 HD13 ILE 27 2HD1 ILE 27 4.170 -4.147 1.602
182 H ILE 28 H ILE 28 3.619 -1.962 -3.233
183 HA ILE 28 HA ILE 28 6.069 -0.715 -3.822
184 HB ILE 28 HB ILE 28 4.049 -1.893 -5.734
185 HG12 ILE 28 1HG1 ILE 28 6.563 -3.179 -4.677
186 HG13 ILE 28 2HG1 ILE 28 5.006 -3.369 -3.880
187 HG21 ILE 28 1HG2 ILE 28 6.656 -2.159 -6.732
188 HG22 ILE 28 2HG2 ILE 28 5.359 -1.145 -7.362
189 HG23 ILE 28 3HG2 ILE 28 6.505 -0.486 -6.195
190 HD11 ILE 28 3HD1 ILE 28 5.898 -4.378 -6.544
191 HD12 ILE 28 1HD1 ILE 28 5.164 -5.256 -5.202
192 HD13 ILE 28 2HD1 ILE 28 4.184 -4.168 -6.187
193 H HIS 29 H HIS 29 2.743 0.195 -4.491
194 HA HIS 29 HA HIS 29 3.337 2.295 -6.308
195 HB2 HIS 29 1HB HIS 29 1.132 1.574 -6.451
196 HB3 HIS 29 2HB HIS 29 0.935 1.503 -4.702
197 HD1 HIS 29 HD1 HIS 29 1.352 4.143 -7.408
198 HD2 HIS 29 HD2 HIS 29 -0.396 3.627 -3.674
199 HE1 HIS 29 HE1 HIS 29 0.070 6.261 -6.968
200 H GLN 30 H GLN 30 2.474 2.314 -2.850
201 HA GLN 30 HA GLN 30 2.561 4.994 -2.325
202 HB2 GLN 30 1HB GLN 30 3.448 2.654 -0.652
203 HB3 GLN 30 2HB GLN 30 3.457 4.298 -0.028
204 HG2 GLN 30 1HG GLN 30 0.963 4.256 -0.901
205 HG3 GLN 30 2HG GLN 30 1.174 2.521 -0.673
206 HE21 GLN 30 1HE2 GLN 30 -0.325 2.484 1.003
207 HE22 GLN 30 2HE2 GLN 30 0.037 3.112 2.571
208 H ARG 31 H ARG 31 5.172 2.968 -3.246
209 HA ARG 31 HA ARG 31 7.348 4.337 -2.137
210 HB2 ARG 31 1HB ARG 31 7.173 2.832 -4.754
211 HB3 ARG 31 2HB ARG 31 8.669 3.321 -3.969
212 HG2 ARG 31 1HG ARG 31 7.881 1.957 -1.972
213 HG3 ARG 31 2HG ARG 31 6.667 1.282 -3.060
214 HD2 ARG 31 1HD ARG 31 8.369 -0.252 -3.273
215 HD3 ARG 31 2HD ARG 31 8.718 0.841 -4.611
216 HE ARG 31 HE ARG 31 10.633 1.514 -3.531
217 HH11 ARG 31 1HH1 ARG 31 8.652 -0.351 -1.360
218 HH12 ARG 31 2HH1 ARG 31 9.878 -0.478 -0.143
219 HH21 ARG 31 1HH2 ARG 31 12.256 1.353 -1.936
220 HH22 ARG 31 2HH2 ARG 31 11.927 0.492 -0.471
221 H THR 32 H THR 32 5.887 4.677 -5.371
222 HA THR 32 HA THR 32 7.451 6.688 -6.391
223 HB THR 32 HB THR 32 5.561 5.491 -7.571
224 HG1 THR 32 HG1 THR 32 6.508 7.154 -8.681
225 HG21 THR 32 3HG2 THR 32 3.950 6.335 -5.644
226 HG22 THR 32 1HG2 THR 32 3.365 6.073 -7.287
227 HG23 THR 32 2HG2 THR 32 3.754 7.704 -6.738
228 H HIS 33 H HIS 33 4.824 6.946 -4.070
229 HA HIS 33 HA HIS 33 4.539 9.750 -4.121
230 HB2 HIS 33 1HB HIS 33 3.862 7.618 -2.120
231 HB3 HIS 33 2HB HIS 33 3.669 9.318 -1.702
232 HD1 HIS 33 HD1 HIS 33 2.349 10.564 -4.010
233 HD2 HIS 33 HD2 HIS 33 1.445 6.680 -2.843
234 HE1 HIS 33 HE1 HIS 33 0.068 10.092 -4.956
235 H THR 34 H THR 34 6.600 7.607 -2.211
236 HA THR 34 HA THR 34 7.742 9.810 -0.724
237 HB THR 34 HB THR 34 9.280 8.021 0.185
238 HG1 THR 34 HG1 THR 34 7.520 6.114 -0.892
239 HG21 THR 34 3HG2 THR 34 7.398 8.603 1.502
240 HG22 THR 34 1HG2 THR 34 7.409 6.842 1.427
241 HG23 THR 34 2HG2 THR 34 6.289 7.760 0.421
242 H GLY 35 H GLY 35 8.092 10.246 -3.423
243 HA2 GLY 35 1HA GLY 35 11.006 10.247 -3.576
244 HA3 GLY 35 2HA GLY 35 10.154 9.433 -4.881
245 H GLU 36 H GLU 36 10.135 10.670 -6.629
246 HA GLU 36 HA GLU 36 10.127 13.570 -6.363
247 HB2 GLU 36 1HB GLU 36 10.532 13.574 -8.793
248 HB3 GLU 36 2HB GLU 36 11.710 12.596 -7.929
249 HG2 GLU 36 1HG GLU 36 9.299 11.259 -9.037
250 HG3 GLU 36 2HG GLU 36 10.580 11.751 -10.144
251 H SER 37 H SER 37 8.033 10.965 -7.335
252 HA SER 37 HA SER 37 5.862 10.885 -8.020
253 HB2 SER 37 1HB SER 37 5.985 13.258 -6.214
254 HB3 SER 37 2HB SER 37 4.509 13.002 -7.145
255 HG SER 37 HG SER 37 5.688 10.934 -5.624
256 H GLY 38 H GLY 38 7.599 11.796 -9.972
257 HA2 GLY 38 1HA GLY 38 7.721 13.015 -11.926
258 HA3 GLY 38 2HA GLY 38 5.986 12.740 -11.957
259 HA PRO 39 HA PRO 39 5.655 17.148 -11.939
260 HB2 PRO 39 1HB PRO 39 2.964 17.282 -11.607
261 HB3 PRO 39 2HB PRO 39 3.721 16.846 -13.143
262 HG2 PRO 39 1HG PRO 39 2.536 15.070 -11.045
263 HG3 PRO 39 2HG PRO 39 2.380 14.977 -12.809
264 HD2 PRO 39 1HD PRO 39 4.081 13.400 -11.412
265 HD3 PRO 39 2HD PRO 39 4.429 13.953 -13.063
266 H SER 40 H SER 40 5.228 18.847 -10.491
267 HA SER 40 HA SER 40 5.771 18.419 -7.820
268 HB2 SER 40 1HB SER 40 5.829 20.617 -9.140
269 HB3 SER 40 2HB SER 40 4.109 20.750 -8.770
270 HG SER 40 HG SER 40 4.736 21.554 -6.943
271 H SER 41 H SER 41 2.583 19.385 -9.101
272 HA SER 41 HA SER 41 1.207 18.810 -6.699
273 HB2 SER 41 1HB SER 41 0.190 19.112 -9.533
274 HB3 SER 41 2HB SER 41 -0.848 19.007 -8.111
275 HG SER 41 HG SER 41 0.002 20.924 -7.368
276 H GLY 42 H GLY 42 -0.060 17.069 -6.095
277 HA2 GLY 42 1HA GLY 42 -0.409 14.791 -7.820
278 HA3 GLY 42 2HA GLY 42 0.785 14.522 -6.559
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -24.890 -9.706 -9.468
2 HA2 GLY 1 1HA GLY 1 -22.642 -9.708 -7.553
3 HA3 GLY 1 2HA GLY 1 -24.219 -10.343 -7.110
4 H SER 2 H SER 2 -21.575 -10.763 -9.437
5 HA SER 2 HA SER 2 -22.439 -13.480 -10.004
6 HB2 SER 2 1HB SER 2 -20.182 -11.780 -11.075
7 HB3 SER 2 2HB SER 2 -20.422 -13.464 -11.538
8 HG SER 2 HG SER 2 -21.518 -11.417 -12.661
9 H SER 3 H SER 3 -21.470 -15.310 -9.298
10 HA SER 3 HA SER 3 -19.623 -15.050 -7.080
11 HB2 SER 3 1HB SER 3 -19.969 -17.488 -6.816
12 HB3 SER 3 2HB SER 3 -21.495 -16.605 -6.869
13 HG SER 3 HG SER 3 -21.093 -17.172 -9.325
14 H GLY 4 H GLY 4 -17.596 -14.590 -7.774
15 HA2 GLY 4 1HA GLY 4 -15.871 -16.547 -8.635
16 HA3 GLY 4 2HA GLY 4 -16.440 -15.777 -10.108
17 H SER 5 H SER 5 -14.712 -14.653 -10.789
18 HA SER 5 HA SER 5 -12.778 -13.442 -9.183
19 HB2 SER 5 1HB SER 5 -13.641 -13.008 -12.032
20 HB3 SER 5 2HB SER 5 -12.380 -12.011 -11.308
21 HG SER 5 HG SER 5 -11.356 -14.084 -10.751
22 H SER 6 H SER 6 -13.420 -12.094 -7.592
23 HA SER 6 HA SER 6 -15.470 -10.121 -7.975
24 HB2 SER 6 1HB SER 6 -13.507 -10.453 -5.692
25 HB3 SER 6 2HB SER 6 -14.950 -9.439 -5.676
26 HG SER 6 HG SER 6 -14.780 -12.259 -5.771
27 H GLY 7 H GLY 7 -14.895 -7.798 -7.130
28 HA2 GLY 7 1HA GLY 7 -12.326 -6.920 -8.259
29 HA3 GLY 7 2HA GLY 7 -13.813 -6.200 -8.859
30 H GLU 8 H GLU 8 -12.931 -7.092 -5.541
31 HA GLU 8 HA GLU 8 -13.352 -4.278 -4.785
32 HB2 GLU 8 1HB GLU 8 -13.885 -6.861 -3.357
33 HB3 GLU 8 2HB GLU 8 -13.643 -5.380 -2.441
34 HG2 GLU 8 1HG GLU 8 -15.998 -5.789 -2.781
35 HG3 GLU 8 2HG GLU 8 -15.498 -4.335 -3.642
36 H LYS 9 H LYS 9 -11.624 -3.173 -4.177
37 HA LYS 9 HA LYS 9 -9.206 -4.642 -3.395
38 HB2 LYS 9 1HB LYS 9 -9.458 -1.735 -4.182
39 HB3 LYS 9 2HB LYS 9 -7.968 -2.646 -3.975
40 HG2 LYS 9 1HG LYS 9 -8.537 -4.043 -5.883
41 HG3 LYS 9 2HG LYS 9 -10.057 -3.169 -6.081
42 HD2 LYS 9 1HD LYS 9 -8.680 -1.072 -6.352
43 HD3 LYS 9 2HD LYS 9 -7.257 -2.114 -6.433
44 HE2 LYS 9 1HE LYS 9 -9.643 -2.263 -8.273
45 HE3 LYS 9 2HE LYS 9 -8.102 -1.501 -8.662
46 HZ1 LYS 9 3HZ LYS 9 -8.584 -3.942 -9.376
47 HZ2 LYS 9 1HZ LYS 9 -8.120 -4.303 -7.789
48 HZ3 LYS 9 2HZ LYS 9 -7.045 -3.507 -8.824
49 HA PRO 10 HA PRO 10 -10.470 -3.191 0.717
50 HB2 PRO 10 1HB PRO 10 -8.958 -5.010 2.049
51 HB3 PRO 10 2HB PRO 10 -10.551 -5.388 1.383
52 HG2 PRO 10 1HG PRO 10 -7.840 -5.967 0.254
53 HG3 PRO 10 2HG PRO 10 -9.271 -7.012 0.319
54 HD2 PRO 10 1HD PRO 10 -8.547 -5.671 -1.919
55 HD3 PRO 10 2HD PRO 10 -10.243 -6.008 -1.515
56 H TYR 11 H TYR 11 -7.637 -3.009 -1.031
57 HA TYR 11 HA TYR 11 -6.234 -1.632 1.165
58 HB2 TYR 11 1HB TYR 11 -4.996 -2.867 -1.303
59 HB3 TYR 11 2HB TYR 11 -4.139 -2.154 0.059
60 HD1 TYR 11 HD1 TYR 11 -6.075 -5.052 -1.093
61 HD2 TYR 11 HD2 TYR 11 -3.877 -3.362 2.134
62 HE1 TYR 11 HE1 TYR 11 -6.011 -7.251 0.007
63 HE2 TYR 11 HE2 TYR 11 -3.806 -5.556 3.243
64 HH TYR 11 HH TYR 11 -5.597 -7.833 2.930
65 H GLU 12 H GLU 12 -6.130 0.498 0.981
66 HA GLU 12 HA GLU 12 -6.228 1.685 -1.715
67 HB2 GLU 12 1HB GLU 12 -8.202 1.970 0.067
68 HB3 GLU 12 2HB GLU 12 -7.156 3.269 0.623
69 HG2 GLU 12 1HG GLU 12 -7.225 4.320 -1.536
70 HG3 GLU 12 2HG GLU 12 -8.134 2.967 -2.206
71 H CYS 13 H CYS 13 -5.094 3.690 -1.997
72 HA CYS 13 HA CYS 13 -2.598 3.731 -0.547
73 HB2 CYS 13 1HB CYS 13 -2.583 4.040 -2.967
74 HB3 CYS 13 2HB CYS 13 -3.613 5.460 -2.812
75 H THR 14 H THR 14 -2.251 4.877 1.225
76 HA THR 14 HA THR 14 -4.146 6.878 2.087
77 HB THR 14 HB THR 14 -2.756 7.027 4.120
78 HG1 THR 14 HG1 THR 14 -0.706 6.590 3.627
79 HG21 THR 14 3HG2 THR 14 -2.832 4.155 4.034
80 HG22 THR 14 1HG2 THR 14 -4.254 4.822 3.233
81 HG23 THR 14 2HG2 THR 14 -3.887 5.272 4.899
82 H ASP 15 H ASP 15 -2.582 7.463 -0.303
83 HA ASP 15 HA ASP 15 -1.296 9.939 0.633
84 HB2 ASP 15 1HB ASP 15 0.216 7.957 -0.280
85 HB3 ASP 15 2HB ASP 15 -0.271 8.618 -1.838
86 H CYS 16 H CYS 16 -2.977 8.246 -1.960
87 HA CYS 16 HA CYS 16 -3.920 10.853 -2.948
88 HB2 CYS 16 1HB CYS 16 -3.903 9.896 -5.251
89 HB3 CYS 16 2HB CYS 16 -2.296 10.069 -4.552
90 H GLY 17 H GLY 17 -4.549 7.467 -2.357
91 HA2 GLY 17 1HA GLY 17 -6.811 6.969 -1.520
92 HA3 GLY 17 2HA GLY 17 -7.421 7.997 -2.808
93 H LYS 18 H LYS 18 -4.975 6.513 -4.267
94 HA LYS 18 HA LYS 18 -6.379 4.994 -6.025
95 HB2 LYS 18 1HB LYS 18 -3.793 5.528 -5.789
96 HB3 LYS 18 2HB LYS 18 -3.752 3.901 -5.123
97 HG2 LYS 18 1HG LYS 18 -4.243 2.918 -7.116
98 HG3 LYS 18 2HG LYS 18 -5.169 4.304 -7.698
99 HD2 LYS 18 1HD LYS 18 -2.816 5.481 -7.645
100 HD3 LYS 18 2HD LYS 18 -2.227 3.820 -7.751
101 HE2 LYS 18 1HE LYS 18 -4.344 4.798 -9.626
102 HE3 LYS 18 2HE LYS 18 -2.649 5.178 -9.926
103 HZ1 LYS 18 3HZ LYS 18 -3.501 3.119 -11.030
104 HZ2 LYS 18 1HZ LYS 18 -3.634 2.416 -9.497
105 HZ3 LYS 18 2HZ LYS 18 -2.120 2.894 -10.078
106 H ALA 19 H ALA 19 -6.331 2.564 -6.299
107 HA ALA 19 HA ALA 19 -6.753 1.186 -3.734
108 HB1 ALA 19 3HB ALA 19 -8.932 1.810 -4.666
109 HB2 ALA 19 1HB ALA 19 -8.539 0.945 -6.152
110 HB3 ALA 19 2HB ALA 19 -8.712 0.061 -4.635
111 H PHE 20 H PHE 20 -6.278 -1.020 -3.703
112 HA PHE 20 HA PHE 20 -5.232 -2.251 -6.128
113 HB2 PHE 20 1HB PHE 20 -3.584 -2.015 -3.601
114 HB3 PHE 20 2HB PHE 20 -3.126 -2.901 -5.052
115 HD1 PHE 20 HD1 PHE 20 -3.583 0.417 -3.571
116 HD2 PHE 20 HD2 PHE 20 -2.338 -1.759 -7.011
117 HE1 PHE 20 HE1 PHE 20 -2.535 2.451 -4.475
118 HE2 PHE 20 HE2 PHE 20 -1.287 0.271 -7.919
119 HZ PHE 20 HZ PHE 20 -1.384 2.380 -6.651
120 H GLY 21 H GLY 21 -6.096 -4.207 -6.271
121 HA2 GLY 21 1HA GLY 21 -7.553 -5.428 -4.194
122 HA3 GLY 21 2HA GLY 21 -7.063 -6.206 -5.692
123 H LEU 22 H LEU 22 -4.248 -5.180 -4.510
124 HA LEU 22 HA LEU 22 -3.847 -7.558 -2.818
125 HB2 LEU 22 1HB LEU 22 -2.353 -6.612 -5.198
126 HB3 LEU 22 2HB LEU 22 -1.413 -7.291 -3.870
127 HG LEU 22 HG LEU 22 -3.468 -8.651 -5.591
128 HD11 LEU 22 1HD1 LEU 22 -0.536 -8.916 -5.091
129 HD12 LEU 22 2HD1 LEU 22 -1.416 -8.862 -6.618
130 HD13 LEU 22 3HD1 LEU 22 -1.472 -10.315 -5.620
131 HD21 LEU 22 3HD2 LEU 22 -2.616 -10.591 -3.899
132 HD22 LEU 22 1HD2 LEU 22 -4.136 -9.712 -3.727
133 HD23 LEU 22 2HD2 LEU 22 -2.717 -9.209 -2.807
134 H LYS 23 H LYS 23 -2.178 -7.401 -1.234
135 HA LYS 23 HA LYS 23 -2.011 -4.794 -0.049
136 HB2 LYS 23 1HB LYS 23 -2.238 -6.619 1.455
137 HB3 LYS 23 2HB LYS 23 -0.907 -7.494 0.711
138 HG2 LYS 23 1HG LYS 23 0.022 -6.701 2.672
139 HG3 LYS 23 2HG LYS 23 0.540 -5.505 1.482
140 HD2 LYS 23 1HD LYS 23 -1.283 -4.030 2.157
141 HD3 LYS 23 2HD LYS 23 -1.836 -5.234 3.325
142 HE2 LYS 23 1HE LYS 23 -0.593 -3.921 4.712
143 HE3 LYS 23 2HE LYS 23 0.668 -5.025 4.164
144 HZ1 LYS 23 3HZ LYS 23 0.544 -2.962 2.314
145 HZ2 LYS 23 1HZ LYS 23 1.776 -3.272 3.431
146 HZ3 LYS 23 2HZ LYS 23 0.508 -2.229 3.838
147 H SER 24 H SER 24 0.016 -6.750 -2.062
148 HA SER 24 HA SER 24 2.419 -5.243 -1.489
149 HB2 SER 24 1HB SER 24 3.550 -6.824 -2.726
150 HB3 SER 24 2HB SER 24 2.136 -7.769 -2.260
151 HG SER 24 HG SER 24 1.988 -8.044 -4.348
152 H GLN 25 H GLN 25 -0.012 -5.440 -4.029
153 HA GLN 25 HA GLN 25 1.254 -3.832 -5.942
154 HB2 GLN 25 1HB GLN 25 -1.675 -4.295 -5.377
155 HB3 GLN 25 2HB GLN 25 -1.084 -3.409 -6.777
156 HG2 GLN 25 1HG GLN 25 0.197 -5.442 -7.433
157 HG3 GLN 25 2HG GLN 25 -0.605 -6.303 -6.120
158 HE21 GLN 25 1HE2 GLN 25 -0.913 -4.977 -9.282
159 HE22 GLN 25 2HE2 GLN 25 -2.496 -5.583 -9.618
160 H LEU 26 H LEU 26 -0.117 -3.034 -2.922
161 HA LEU 26 HA LEU 26 -0.527 -0.234 -3.617
162 HB2 LEU 26 1HB LEU 26 -2.209 -1.020 -2.208
163 HB3 LEU 26 2HB LEU 26 -1.072 -1.902 -1.191
164 HG LEU 26 HG LEU 26 -0.253 0.246 -0.294
165 HD11 LEU 26 1HD1 LEU 26 -2.581 1.558 -1.658
166 HD12 LEU 26 2HD1 LEU 26 -0.973 1.524 -2.382
167 HD13 LEU 26 3HD1 LEU 26 -1.221 2.309 -0.822
168 HD21 LEU 26 3HD2 LEU 26 -2.001 0.536 1.217
169 HD22 LEU 26 1HD2 LEU 26 -2.222 -1.118 0.645
170 HD23 LEU 26 2HD2 LEU 26 -3.235 0.179 0.008
171 H ILE 27 H ILE 27 1.488 -2.188 -1.442
172 HA ILE 27 HA ILE 27 2.950 -0.136 -0.266
173 HB ILE 27 HB ILE 27 3.973 -2.888 -0.976
174 HG12 ILE 27 1HG1 ILE 27 2.879 -2.101 1.704
175 HG13 ILE 27 2HG1 ILE 27 1.779 -2.593 0.420
176 HG21 ILE 27 1HG2 ILE 27 5.846 -2.399 0.121
177 HG22 ILE 27 2HG2 ILE 27 5.336 -0.713 0.072
178 HG23 ILE 27 3HG2 ILE 27 4.954 -1.708 1.476
179 HD11 ILE 27 3HD1 ILE 27 2.704 -4.322 2.148
180 HD12 ILE 27 1HD1 ILE 27 2.497 -4.760 0.452
181 HD13 ILE 27 2HD1 ILE 27 4.096 -4.339 1.066
182 H ILE 28 H ILE 28 3.585 -1.918 -3.267
183 HA ILE 28 HA ILE 28 6.045 -0.688 -3.872
184 HB ILE 28 HB ILE 28 4.006 -1.891 -5.748
185 HG12 ILE 28 1HG1 ILE 28 6.568 -3.210 -4.956
186 HG13 ILE 28 2HG1 ILE 28 5.219 -3.242 -3.825
187 HG21 ILE 28 1HG2 ILE 28 5.855 -2.077 -7.341
188 HG22 ILE 28 2HG2 ILE 28 5.519 -0.396 -6.931
189 HG23 ILE 28 3HG2 ILE 28 6.907 -1.217 -6.218
190 HD11 ILE 28 3HD1 ILE 28 5.077 -5.234 -5.045
191 HD12 ILE 28 1HD1 ILE 28 3.840 -4.181 -5.730
192 HD13 ILE 28 2HD1 ILE 28 5.369 -4.415 -6.579
193 H HIS 29 H HIS 29 2.715 0.220 -4.541
194 HA HIS 29 HA HIS 29 3.304 2.310 -6.368
195 HB2 HIS 29 1HB HIS 29 1.096 1.540 -6.464
196 HB3 HIS 29 2HB HIS 29 0.904 1.585 -4.714
197 HD1 HIS 29 HD1 HIS 29 1.229 3.985 -7.635
198 HD2 HIS 29 HD2 HIS 29 -0.301 3.836 -3.775
199 HE1 HIS 29 HE1 HIS 29 -0.007 6.152 -7.318
200 H GLN 30 H GLN 30 2.465 2.349 -2.905
201 HA GLN 30 HA GLN 30 2.539 5.022 -2.378
202 HB2 GLN 30 1HB GLN 30 3.508 2.696 -0.729
203 HB3 GLN 30 2HB GLN 30 3.508 4.340 -0.105
204 HG2 GLN 30 1HG GLN 30 1.057 4.432 -0.617
205 HG3 GLN 30 2HG GLN 30 1.139 2.708 -0.972
206 HE21 GLN 30 1HE2 GLN 30 -0.563 3.073 0.850
207 HE22 GLN 30 2HE2 GLN 30 0.027 2.804 2.451
208 H ARG 31 H ARG 31 5.171 3.023 -3.331
209 HA ARG 31 HA ARG 31 7.348 4.427 -2.289
210 HB2 ARG 31 1HB ARG 31 7.123 2.934 -4.908
211 HB3 ARG 31 2HB ARG 31 8.634 3.447 -4.169
212 HG2 ARG 31 1HG ARG 31 7.855 2.068 -2.138
213 HG3 ARG 31 2HG ARG 31 6.724 1.328 -3.273
214 HD2 ARG 31 1HD ARG 31 8.530 -0.098 -3.417
215 HD3 ARG 31 2HD ARG 31 8.843 1.011 -4.752
216 HE ARG 31 HE ARG 31 10.706 1.758 -3.649
217 HH11 ARG 31 1HH1 ARG 31 8.697 -0.019 -1.429
218 HH12 ARG 31 2HH1 ARG 31 9.872 -0.013 -0.157
219 HH21 ARG 31 1HH2 ARG 31 12.261 1.773 -1.981
220 HH22 ARG 31 2HH2 ARG 31 11.899 1.008 -0.471
221 H THR 32 H THR 32 5.504 4.927 -5.266
222 HA THR 32 HA THR 32 7.078 6.888 -6.451
223 HB THR 32 HB THR 32 5.151 7.543 -7.725
224 HG1 THR 32 HG1 THR 32 3.470 7.783 -6.389
225 HG21 THR 32 3HG2 THR 32 4.906 4.602 -7.087
226 HG22 THR 32 1HG2 THR 32 6.097 5.301 -8.183
227 HG23 THR 32 2HG2 THR 32 4.378 5.405 -8.565
228 H HIS 33 H HIS 33 4.589 7.180 -3.963
229 HA HIS 33 HA HIS 33 4.520 10.012 -3.917
230 HB2 HIS 33 1HB HIS 33 3.729 7.936 -1.872
231 HB3 HIS 33 2HB HIS 33 3.480 9.663 -1.634
232 HD1 HIS 33 HD1 HIS 33 2.059 10.774 -3.791
233 HD2 HIS 33 HD2 HIS 33 1.562 6.738 -2.937
234 HE1 HIS 33 HE1 HIS 33 -0.114 10.120 -4.875
235 H THR 34 H THR 34 6.232 7.626 -1.919
236 HA THR 34 HA THR 34 7.607 9.665 -0.419
237 HB THR 34 HB THR 34 8.815 7.806 0.640
238 HG1 THR 34 HG1 THR 34 7.395 6.218 -1.256
239 HG21 THR 34 3HG2 THR 34 6.287 8.467 1.085
240 HG22 THR 34 1HG2 THR 34 7.049 7.117 1.924
241 HG23 THR 34 2HG2 THR 34 6.010 6.816 0.530
242 H GLY 35 H GLY 35 8.064 10.041 -3.131
243 HA2 GLY 35 1HA GLY 35 10.909 9.275 -3.373
244 HA3 GLY 35 2HA GLY 35 9.832 9.397 -4.756
245 H GLU 36 H GLU 36 12.198 10.957 -3.055
246 HA GLU 36 HA GLU 36 11.282 13.611 -3.945
247 HB2 GLU 36 1HB GLU 36 11.841 13.101 -1.448
248 HB3 GLU 36 2HB GLU 36 13.513 13.207 -1.982
249 HG2 GLU 36 1HG GLU 36 13.126 15.472 -2.785
250 HG3 GLU 36 2HG GLU 36 11.440 15.369 -2.281
251 H SER 37 H SER 37 12.344 11.927 -5.846
252 HA SER 37 HA SER 37 14.657 13.448 -6.680
253 HB2 SER 37 1HB SER 37 16.090 11.494 -7.061
254 HB3 SER 37 2HB SER 37 15.682 11.640 -5.351
255 HG SER 37 HG SER 37 15.470 9.486 -6.204
256 H GLY 38 H GLY 38 14.879 13.534 -8.881
257 HA2 GLY 38 1HA GLY 38 13.985 11.703 -10.761
258 HA3 GLY 38 2HA GLY 38 12.630 12.777 -10.447
259 HA PRO 39 HA PRO 39 15.925 14.586 -13.437
260 HB2 PRO 39 1HB PRO 39 14.893 13.814 -15.826
261 HB3 PRO 39 2HB PRO 39 16.100 12.866 -14.950
262 HG2 PRO 39 1HG PRO 39 13.131 12.501 -15.076
263 HG3 PRO 39 2HG PRO 39 14.413 11.279 -15.162
264 HD2 PRO 39 1HD PRO 39 13.007 11.759 -12.899
265 HD3 PRO 39 2HD PRO 39 14.706 11.244 -12.876
266 H SER 40 H SER 40 12.688 14.712 -12.704
267 HA SER 40 HA SER 40 11.820 16.617 -14.661
268 HB2 SER 40 1HB SER 40 9.799 16.790 -13.319
269 HB3 SER 40 2HB SER 40 10.255 15.093 -13.469
270 HG SER 40 HG SER 40 10.960 16.721 -11.258
271 H SER 41 H SER 41 14.073 17.713 -13.951
272 HA SER 41 HA SER 41 13.588 19.651 -11.813
273 HB2 SER 41 1HB SER 41 15.972 20.206 -12.039
274 HB3 SER 41 2HB SER 41 15.748 18.473 -11.801
275 HG SER 41 HG SER 41 17.194 18.766 -13.473
276 H GLY 42 H GLY 42 14.485 19.541 -15.251
277 HA2 GLY 42 1HA GLY 42 14.395 21.149 -16.893
278 HA3 GLY 42 2HA GLY 42 12.891 21.613 -16.109
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -14.690 -4.438 -25.378
2 HA2 GLY 1 1HA GLY 1 -14.387 -6.461 -24.073
3 HA3 GLY 1 2HA GLY 1 -13.245 -5.577 -23.072
4 H SER 2 H SER 2 -14.423 -6.219 -21.210
5 HA SER 2 HA SER 2 -17.094 -5.942 -20.688
6 HB2 SER 2 1HB SER 2 -16.549 -5.879 -18.361
7 HB3 SER 2 2HB SER 2 -15.310 -6.862 -19.141
8 HG SER 2 HG SER 2 -13.894 -5.152 -19.015
9 H SER 3 H SER 3 -18.448 -4.329 -19.923
10 HA SER 3 HA SER 3 -17.491 -1.592 -20.415
11 HB2 SER 3 1HB SER 3 -20.215 -2.862 -20.621
12 HB3 SER 3 2HB SER 3 -20.023 -1.111 -20.527
13 HG SER 3 HG SER 3 -20.066 -1.774 -22.686
14 H GLY 4 H GLY 4 -16.551 -1.474 -18.286
15 HA2 GLY 4 1HA GLY 4 -17.030 -0.113 -16.333
16 HA3 GLY 4 2HA GLY 4 -18.592 -0.912 -16.230
17 H SER 5 H SER 5 -15.708 -0.709 -14.762
18 HA SER 5 HA SER 5 -15.828 -3.498 -13.814
19 HB2 SER 5 1HB SER 5 -13.432 -3.451 -13.454
20 HB3 SER 5 2HB SER 5 -13.764 -2.984 -15.122
21 HG SER 5 HG SER 5 -13.036 -1.037 -14.730
22 H SER 6 H SER 6 -16.001 -3.824 -11.670
23 HA SER 6 HA SER 6 -15.629 -1.525 -9.875
24 HB2 SER 6 1HB SER 6 -17.957 -3.461 -9.813
25 HB3 SER 6 2HB SER 6 -17.651 -2.195 -8.625
26 HG SER 6 HG SER 6 -17.654 -0.804 -10.666
27 H GLY 7 H GLY 7 -13.742 -3.532 -10.320
28 HA2 GLY 7 1HA GLY 7 -13.772 -5.772 -8.726
29 HA3 GLY 7 2HA GLY 7 -12.322 -4.841 -9.072
30 H GLU 8 H GLU 8 -12.930 -6.259 -6.646
31 HA GLU 8 HA GLU 8 -13.452 -4.127 -4.714
32 HB2 GLU 8 1HB GLU 8 -13.265 -7.124 -4.465
33 HB3 GLU 8 2HB GLU 8 -13.332 -6.069 -3.061
34 HG2 GLU 8 1HG GLU 8 -15.486 -5.198 -3.821
35 HG3 GLU 8 2HG GLU 8 -15.420 -6.270 -5.219
36 H LYS 9 H LYS 9 -11.849 -3.081 -3.754
37 HA LYS 9 HA LYS 9 -9.262 -4.435 -3.416
38 HB2 LYS 9 1HB LYS 9 -9.618 -1.575 -4.332
39 HB3 LYS 9 2HB LYS 9 -8.084 -2.379 -4.026
40 HG2 LYS 9 1HG LYS 9 -8.167 -3.582 -5.960
41 HG3 LYS 9 2HG LYS 9 -9.931 -3.605 -6.001
42 HD2 LYS 9 1HD LYS 9 -9.789 -1.102 -6.463
43 HD3 LYS 9 2HD LYS 9 -8.071 -1.369 -6.769
44 HE2 LYS 9 1HE LYS 9 -8.833 -3.182 -8.403
45 HE3 LYS 9 2HE LYS 9 -10.437 -2.464 -8.263
46 HZ1 LYS 9 3HZ LYS 9 -8.010 -0.961 -9.074
47 HZ2 LYS 9 1HZ LYS 9 -9.606 -0.402 -9.092
48 HZ3 LYS 9 2HZ LYS 9 -9.125 -1.621 -10.162
49 HA PRO 10 HA PRO 10 -10.489 -2.874 0.675
50 HB2 PRO 10 1HB PRO 10 -8.995 -4.685 2.038
51 HB3 PRO 10 2HB PRO 10 -10.601 -5.053 1.397
52 HG2 PRO 10 1HG PRO 10 -7.911 -5.706 0.258
53 HG3 PRO 10 2HG PRO 10 -9.359 -6.724 0.363
54 HD2 PRO 10 1HD PRO 10 -8.634 -5.453 -1.915
55 HD3 PRO 10 2HD PRO 10 -10.331 -5.751 -1.487
56 H TYR 11 H TYR 11 -7.673 -2.782 -1.104
57 HA TYR 11 HA TYR 11 -6.199 -1.418 1.051
58 HB2 TYR 11 1HB TYR 11 -5.070 -2.634 -1.477
59 HB3 TYR 11 2HB TYR 11 -4.150 -1.934 -0.149
60 HD1 TYR 11 HD1 TYR 11 -6.242 -4.790 -1.173
61 HD2 TYR 11 HD2 TYR 11 -3.714 -3.180 1.847
62 HE1 TYR 11 HE1 TYR 11 -6.143 -6.996 -0.088
63 HE2 TYR 11 HE2 TYR 11 -3.607 -5.381 2.939
64 HH TYR 11 HH TYR 11 -4.875 -8.243 1.436
65 H GLU 12 H GLU 12 -6.161 0.715 0.905
66 HA GLU 12 HA GLU 12 -6.201 1.947 -1.771
67 HB2 GLU 12 1HB GLU 12 -7.895 2.470 0.600
68 HB3 GLU 12 2HB GLU 12 -7.313 3.888 -0.261
69 HG2 GLU 12 1HG GLU 12 -8.562 3.460 -2.104
70 HG3 GLU 12 2HG GLU 12 -8.498 1.713 -1.879
71 H CYS 13 H CYS 13 -4.765 3.556 -2.147
72 HA CYS 13 HA CYS 13 -2.515 3.814 -0.470
73 HB2 CYS 13 1HB CYS 13 -2.645 4.193 -2.990
74 HB3 CYS 13 2HB CYS 13 -3.304 5.782 -2.614
75 H THR 14 H THR 14 -2.194 5.020 1.272
76 HA THR 14 HA THR 14 -4.207 6.923 2.104
77 HB THR 14 HB THR 14 -2.769 7.156 4.148
78 HG1 THR 14 HG1 THR 14 -1.197 5.214 4.163
79 HG21 THR 14 3HG2 THR 14 -4.429 5.054 3.361
80 HG22 THR 14 1HG2 THR 14 -3.958 5.473 5.007
81 HG23 THR 14 2HG2 THR 14 -3.029 4.279 4.100
82 H ASP 15 H ASP 15 -2.460 7.499 -0.234
83 HA ASP 15 HA ASP 15 -1.380 10.065 0.729
84 HB2 ASP 15 1HB ASP 15 -0.110 7.985 -0.971
85 HB3 ASP 15 2HB ASP 15 0.164 9.664 -1.429
86 H CYS 16 H CYS 16 -2.951 8.269 -1.840
87 HA CYS 16 HA CYS 16 -3.852 10.826 -2.988
88 HB2 CYS 16 1HB CYS 16 -3.817 9.715 -5.231
89 HB3 CYS 16 2HB CYS 16 -2.221 9.951 -4.525
90 H GLY 17 H GLY 17 -4.522 7.454 -2.297
91 HA2 GLY 17 1HA GLY 17 -6.747 6.904 -1.481
92 HA3 GLY 17 2HA GLY 17 -7.392 8.041 -2.656
93 H LYS 18 H LYS 18 -4.834 6.191 -3.877
94 HA LYS 18 HA LYS 18 -6.349 4.998 -5.892
95 HB2 LYS 18 1HB LYS 18 -3.591 4.660 -4.838
96 HB3 LYS 18 2HB LYS 18 -4.220 3.371 -5.855
97 HG2 LYS 18 1HG LYS 18 -4.751 5.106 -7.577
98 HG3 LYS 18 2HG LYS 18 -3.883 6.272 -6.575
99 HD2 LYS 18 1HD LYS 18 -2.178 5.621 -7.943
100 HD3 LYS 18 2HD LYS 18 -2.007 4.400 -6.680
101 HE2 LYS 18 1HE LYS 18 -1.906 3.377 -8.884
102 HE3 LYS 18 2HE LYS 18 -3.343 2.841 -8.015
103 HZ1 LYS 18 3HZ LYS 18 -4.724 4.079 -9.363
104 HZ2 LYS 18 1HZ LYS 18 -3.553 3.554 -10.465
105 HZ3 LYS 18 2HZ LYS 18 -3.498 5.132 -9.860
106 H ALA 19 H ALA 19 -5.909 2.401 -6.153
107 HA ALA 19 HA ALA 19 -6.696 1.018 -3.710
108 HB1 ALA 19 3HB ALA 19 -8.860 1.419 -4.378
109 HB2 ALA 19 1HB ALA 19 -8.454 1.373 -6.094
110 HB3 ALA 19 2HB ALA 19 -8.540 -0.125 -5.167
111 H PHE 20 H PHE 20 -6.305 -1.207 -3.743
112 HA PHE 20 HA PHE 20 -5.275 -2.438 -6.158
113 HB2 PHE 20 1HB PHE 20 -3.541 -2.278 -3.686
114 HB3 PHE 20 2HB PHE 20 -3.130 -3.049 -5.214
115 HD1 PHE 20 HD1 PHE 20 -3.810 0.211 -3.610
116 HD2 PHE 20 HD2 PHE 20 -2.187 -1.820 -6.980
117 HE1 PHE 20 HE1 PHE 20 -2.821 2.320 -4.401
118 HE2 PHE 20 HE2 PHE 20 -1.194 0.286 -7.775
119 HZ PHE 20 HZ PHE 20 -1.510 2.360 -6.485
120 H GLY 21 H GLY 21 -6.253 -4.343 -6.248
121 HA2 GLY 21 1HA GLY 21 -7.684 -5.550 -4.202
122 HA3 GLY 21 2HA GLY 21 -7.092 -6.388 -5.629
123 H LEU 22 H LEU 22 -4.292 -5.500 -4.667
124 HA LEU 22 HA LEU 22 -3.968 -7.697 -2.731
125 HB2 LEU 22 1HB LEU 22 -2.388 -6.824 -5.081
126 HB3 LEU 22 2HB LEU 22 -1.491 -7.425 -3.688
127 HG LEU 22 HG LEU 22 -3.455 -8.903 -5.420
128 HD11 LEU 22 1HD1 LEU 22 -1.354 -10.506 -5.199
129 HD12 LEU 22 2HD1 LEU 22 -0.536 -8.972 -4.908
130 HD13 LEU 22 3HD1 LEU 22 -1.433 -9.221 -6.405
131 HD21 LEU 22 3HD2 LEU 22 -2.799 -9.314 -2.593
132 HD22 LEU 22 1HD2 LEU 22 -2.594 -10.741 -3.609
133 HD23 LEU 22 2HD2 LEU 22 -4.153 -9.920 -3.546
134 H LYS 23 H LYS 23 -1.966 -7.453 -1.345
135 HA LYS 23 HA LYS 23 -2.008 -4.792 -0.165
136 HB2 LYS 23 1HB LYS 23 -2.281 -6.591 1.390
137 HB3 LYS 23 2HB LYS 23 -0.871 -7.431 0.758
138 HG2 LYS 23 1HG LYS 23 0.010 -6.531 2.655
139 HG3 LYS 23 2HG LYS 23 0.368 -5.238 1.507
140 HD2 LYS 23 1HD LYS 23 -1.986 -4.351 2.248
141 HD3 LYS 23 2HD LYS 23 -1.684 -5.347 3.673
142 HE2 LYS 23 1HE LYS 23 0.288 -4.137 4.204
143 HE3 LYS 23 2HE LYS 23 0.282 -3.313 2.645
144 HZ1 LYS 23 3HZ LYS 23 -0.844 -1.691 3.619
145 HZ2 LYS 23 1HZ LYS 23 -1.003 -2.571 5.055
146 HZ3 LYS 23 2HZ LYS 23 -2.150 -2.747 3.825
147 H SER 24 H SER 24 0.123 -6.897 -1.940
148 HA SER 24 HA SER 24 2.490 -5.343 -1.401
149 HB2 SER 24 1HB SER 24 2.847 -7.669 -1.796
150 HB3 SER 24 2HB SER 24 1.907 -7.629 -3.288
151 HG SER 24 HG SER 24 3.624 -7.007 -4.318
152 H GLN 25 H GLN 25 0.038 -5.520 -3.885
153 HA GLN 25 HA GLN 25 1.360 -4.100 -5.914
154 HB2 GLN 25 1HB GLN 25 -1.516 -4.603 -5.247
155 HB3 GLN 25 2HB GLN 25 -1.107 -3.467 -6.526
156 HG2 GLN 25 1HG GLN 25 0.404 -5.490 -7.324
157 HG3 GLN 25 2HG GLN 25 -0.802 -6.411 -6.428
158 HE21 GLN 25 1HE2 GLN 25 -2.140 -7.268 -7.849
159 HE22 GLN 25 2HE2 GLN 25 -2.888 -6.439 -9.167
160 H LEU 26 H LEU 26 -0.281 -3.050 -3.023
161 HA LEU 26 HA LEU 26 -0.404 -0.284 -3.816
162 HB2 LEU 26 1HB LEU 26 -2.102 -1.011 -2.344
163 HB3 LEU 26 2HB LEU 26 -0.936 -1.741 -1.242
164 HG LEU 26 HG LEU 26 -0.149 0.538 -0.647
165 HD11 LEU 26 1HD1 LEU 26 -0.945 2.429 -1.572
166 HD12 LEU 26 2HD1 LEU 26 -2.574 1.782 -1.761
167 HD13 LEU 26 3HD1 LEU 26 -1.319 1.364 -2.927
168 HD21 LEU 26 3HD2 LEU 26 -2.236 1.165 0.612
169 HD22 LEU 26 1HD2 LEU 26 -1.687 -0.496 0.836
170 HD23 LEU 26 2HD2 LEU 26 -3.050 -0.155 -0.230
171 H ILE 27 H ILE 27 1.460 -2.135 -1.410
172 HA ILE 27 HA ILE 27 3.039 -0.163 -0.362
173 HB ILE 27 HB ILE 27 3.955 -2.948 -1.087
174 HG12 ILE 27 1HG1 ILE 27 2.961 -2.009 1.596
175 HG13 ILE 27 2HG1 ILE 27 1.861 -2.646 0.379
176 HG21 ILE 27 1HG2 ILE 27 5.075 -1.604 1.270
177 HG22 ILE 27 2HG2 ILE 27 5.863 -2.601 0.048
178 HG23 ILE 27 3HG2 ILE 27 5.536 -0.899 -0.279
179 HD11 ILE 27 3HD1 ILE 27 2.277 -4.650 1.219
180 HD12 ILE 27 1HD1 ILE 27 3.891 -4.525 0.519
181 HD13 ILE 27 2HD1 ILE 27 3.614 -4.039 2.193
182 H ILE 28 H ILE 28 3.545 -1.912 -3.401
183 HA ILE 28 HA ILE 28 6.030 -0.736 -4.041
184 HB ILE 28 HB ILE 28 3.931 -1.917 -5.862
185 HG12 ILE 28 1HG1 ILE 28 6.530 -3.208 -5.106
186 HG13 ILE 28 2HG1 ILE 28 5.156 -3.304 -4.010
187 HG21 ILE 28 1HG2 ILE 28 5.572 -0.317 -6.935
188 HG22 ILE 28 2HG2 ILE 28 6.831 -1.477 -6.515
189 HG23 ILE 28 3HG2 ILE 28 5.526 -1.949 -7.602
190 HD11 ILE 28 3HD1 ILE 28 4.927 -5.237 -5.212
191 HD12 ILE 28 1HD1 ILE 28 3.894 -4.142 -6.129
192 HD13 ILE 28 2HD1 ILE 28 5.520 -4.510 -6.705
193 H HIS 29 H HIS 29 2.702 0.215 -4.672
194 HA HIS 29 HA HIS 29 3.305 2.314 -6.484
195 HB2 HIS 29 1HB HIS 29 1.089 1.591 -6.593
196 HB3 HIS 29 2HB HIS 29 0.905 1.575 -4.842
197 HD1 HIS 29 HD1 HIS 29 1.234 4.075 -7.678
198 HD2 HIS 29 HD2 HIS 29 -0.279 3.800 -3.818
199 HE1 HIS 29 HE1 HIS 29 0.015 6.238 -7.278
200 H GLN 30 H GLN 30 2.498 2.323 -3.015
201 HA GLN 30 HA GLN 30 2.590 4.992 -2.463
202 HB2 GLN 30 1HB GLN 30 3.601 2.667 -0.830
203 HB3 GLN 30 2HB GLN 30 3.528 4.307 -0.201
204 HG2 GLN 30 1HG GLN 30 1.037 4.181 -0.963
205 HG3 GLN 30 2HG GLN 30 1.312 2.441 -0.891
206 HE21 GLN 30 1HE2 GLN 30 0.809 1.539 0.960
207 HE22 GLN 30 2HE2 GLN 30 0.827 2.302 2.510
208 H ARG 31 H ARG 31 5.215 2.962 -3.406
209 HA ARG 31 HA ARG 31 7.402 4.349 -2.384
210 HB2 ARG 31 1HB ARG 31 7.166 2.901 -5.028
211 HB3 ARG 31 2HB ARG 31 8.677 3.369 -4.260
212 HG2 ARG 31 1HG ARG 31 7.838 1.963 -2.267
213 HG3 ARG 31 2HG ARG 31 6.720 1.264 -3.441
214 HD2 ARG 31 1HD ARG 31 8.499 -0.186 -3.597
215 HD3 ARG 31 2HD ARG 31 8.878 0.963 -4.880
216 HE ARG 31 HE ARG 31 10.192 2.021 -2.809
217 HH11 ARG 31 1HH1 ARG 31 10.034 -1.245 -4.005
218 HH12 ARG 31 2HH1 ARG 31 11.632 -1.654 -3.477
219 HH21 ARG 31 1HH2 ARG 31 12.297 1.494 -2.108
220 HH22 ARG 31 2HH2 ARG 31 12.918 -0.096 -2.397
221 H THR 32 H THR 32 5.473 4.942 -5.276
222 HA THR 32 HA THR 32 7.076 6.889 -6.478
223 HB THR 32 HB THR 32 5.120 7.594 -7.702
224 HG1 THR 32 HG1 THR 32 3.536 6.002 -5.956
225 HG21 THR 32 3HG2 THR 32 4.352 5.464 -8.595
226 HG22 THR 32 1HG2 THR 32 4.961 4.625 -7.169
227 HG23 THR 32 2HG2 THR 32 6.086 5.402 -8.282
228 H HIS 33 H HIS 33 4.626 7.159 -3.952
229 HA HIS 33 HA HIS 33 4.554 9.988 -3.868
230 HB2 HIS 33 1HB HIS 33 3.804 7.865 -1.861
231 HB3 HIS 33 2HB HIS 33 3.605 9.584 -1.535
232 HD1 HIS 33 HD1 HIS 33 2.146 10.822 -3.603
233 HD2 HIS 33 HD2 HIS 33 1.565 6.771 -2.883
234 HE1 HIS 33 HE1 HIS 33 -0.081 10.269 -4.632
235 H THR 34 H THR 34 6.066 7.693 -1.589
236 HA THR 34 HA THR 34 7.387 9.338 0.083
237 HB THR 34 HB THR 34 9.163 7.658 0.308
238 HG1 THR 34 HG1 THR 34 9.571 6.992 -1.754
239 HG21 THR 34 3HG2 THR 34 7.662 5.647 0.654
240 HG22 THR 34 1HG2 THR 34 6.352 6.620 -0.014
241 HG23 THR 34 2HG2 THR 34 7.161 7.128 1.469
242 H GLY 35 H GLY 35 8.463 8.483 -3.187
243 HA2 GLY 35 1HA GLY 35 10.918 9.891 -3.076
244 HA3 GLY 35 2HA GLY 35 10.084 9.389 -4.539
245 H GLU 36 H GLU 36 8.597 10.806 -5.524
246 HA GLU 36 HA GLU 36 9.272 13.572 -5.214
247 HB2 GLU 36 1HB GLU 36 8.851 12.730 -7.430
248 HB3 GLU 36 2HB GLU 36 7.253 12.164 -6.963
249 HG2 GLU 36 1HG GLU 36 6.752 14.094 -8.090
250 HG3 GLU 36 2HG GLU 36 6.811 14.664 -6.423
251 H SER 37 H SER 37 8.283 15.070 -4.030
252 HA SER 37 HA SER 37 5.474 14.873 -3.381
253 HB2 SER 37 1HB SER 37 6.520 13.486 -1.621
254 HB3 SER 37 2HB SER 37 7.535 14.853 -1.162
255 HG SER 37 HG SER 37 5.237 15.889 -1.050
256 H GLY 38 H GLY 38 4.578 16.829 -2.677
257 HA2 GLY 38 1HA GLY 38 6.415 19.124 -2.520
258 HA3 GLY 38 2HA GLY 38 5.078 19.162 -3.660
259 HA PRO 39 HA PRO 39 3.617 21.140 0.249
260 HB2 PRO 39 1HB PRO 39 2.325 23.174 -1.001
261 HB3 PRO 39 2HB PRO 39 4.044 23.233 -0.597
262 HG2 PRO 39 1HG PRO 39 2.733 22.588 -3.210
263 HG3 PRO 39 2HG PRO 39 4.154 23.600 -2.890
264 HD2 PRO 39 1HD PRO 39 4.352 21.051 -3.782
265 HD3 PRO 39 2HD PRO 39 5.563 21.785 -2.712
266 H SER 40 H SER 40 2.331 19.393 -2.227
267 HA SER 40 HA SER 40 -0.289 19.757 -2.542
268 HB2 SER 40 1HB SER 40 -0.602 17.273 -2.437
269 HB3 SER 40 2HB SER 40 0.779 17.772 -3.412
270 HG SER 40 HG SER 40 0.775 16.681 -0.802
271 H SER 41 H SER 41 1.120 18.349 0.400
272 HA SER 41 HA SER 41 -1.169 17.801 1.824
273 HB2 SER 41 1HB SER 41 0.168 17.963 3.832
274 HB3 SER 41 2HB SER 41 1.172 17.286 2.550
275 HG SER 41 HG SER 41 1.925 19.502 2.224
276 H GLY 42 H GLY 42 -2.757 18.960 2.712
277 HA2 GLY 42 1HA GLY 42 -2.409 21.891 2.819
278 HA3 GLY 42 2HA GLY 42 -3.942 21.087 2.515