Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504549 | 2ema RC | 10199 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -23.476 -19.406 -11.072
2 HA2 GLY 1 1HA GLY 1 -23.196 -18.385 -9.036
3 HA3 GLY 1 2HA GLY 1 -24.261 -19.619 -8.379
4 H SER 2 H SER 2 -21.273 -18.310 -8.104
5 HA SER 2 HA SER 2 -20.023 -20.831 -7.247
6 HB2 SER 2 1HB SER 2 -18.945 -18.255 -8.299
7 HB3 SER 2 2HB SER 2 -17.954 -19.161 -7.156
8 HG SER 2 HG SER 2 -19.112 -20.515 -9.318
9 H SER 3 H SER 3 -21.243 -20.843 -5.272
10 HA SER 3 HA SER 3 -21.795 -20.162 -3.130
11 HB2 SER 3 1HB SER 3 -18.779 -20.242 -3.225
12 HB3 SER 3 2HB SER 3 -19.674 -20.046 -1.718
13 HG SER 3 HG SER 3 -19.409 -22.271 -3.358
14 H GLY 4 H GLY 4 -22.043 -17.961 -4.808
15 HA2 GLY 4 1HA GLY 4 -21.162 -15.806 -2.998
16 HA3 GLY 4 2HA GLY 4 -20.986 -15.638 -4.739
17 H SER 5 H SER 5 -23.698 -17.065 -2.976
18 HA SER 5 HA SER 5 -25.674 -15.833 -4.490
19 HB2 SER 5 1HB SER 5 -25.738 -16.940 -1.680
20 HB3 SER 5 2HB SER 5 -27.182 -16.363 -2.512
21 HG SER 5 HG SER 5 -25.847 -18.707 -2.799
22 H SER 6 H SER 6 -24.536 -14.920 -1.237
23 HA SER 6 HA SER 6 -25.432 -12.172 -1.801
24 HB2 SER 6 1HB SER 6 -26.311 -11.915 0.377
25 HB3 SER 6 2HB SER 6 -26.887 -13.496 -0.149
26 HG SER 6 HG SER 6 -24.705 -14.115 0.953
27 H GLY 7 H GLY 7 -24.239 -10.494 -0.754
28 HA2 GLY 7 1HA GLY 7 -22.141 -10.652 0.973
29 HA3 GLY 7 2HA GLY 7 -21.429 -11.100 -0.570
30 H THR 8 H THR 8 -22.866 -9.406 -2.265
31 HA THR 8 HA THR 8 -21.397 -7.183 -2.502
32 HB THR 8 HB THR 8 -24.393 -7.117 -2.896
33 HG1 THR 8 HG1 THR 8 -22.348 -8.431 -4.273
34 HG21 THR 8 3HG2 THR 8 -23.195 -4.953 -3.104
35 HG22 THR 8 1HG2 THR 8 -23.919 -5.488 -4.620
36 HG23 THR 8 2HG2 THR 8 -22.184 -5.668 -4.359
37 H GLY 9 H GLY 9 -20.722 -5.986 -0.805
38 HA2 GLY 9 1HA GLY 9 -22.274 -3.943 0.246
39 HA3 GLY 9 2HA GLY 9 -22.369 -5.268 1.397
40 H GLU 10 H GLU 10 -19.981 -6.303 1.630
41 HA GLU 10 HA GLU 10 -18.284 -4.034 2.423
42 HB2 GLU 10 1HB GLU 10 -19.109 -5.533 4.240
43 HB3 GLU 10 2HB GLU 10 -18.235 -6.861 3.489
44 HG2 GLU 10 1HG GLU 10 -16.139 -5.525 3.768
45 HG3 GLU 10 2HG GLU 10 -17.079 -4.374 4.716
46 H LYS 11 H LYS 11 -17.434 -3.919 0.247
47 HA LYS 11 HA LYS 11 -16.163 -5.976 -1.119
48 HB2 LYS 11 1HB LYS 11 -15.789 -2.999 -1.085
49 HB3 LYS 11 2HB LYS 11 -14.718 -4.014 -2.044
50 HG2 LYS 11 1HG LYS 11 -16.420 -4.687 -3.467
51 HG3 LYS 11 2HG LYS 11 -17.687 -4.253 -2.317
52 HD2 LYS 11 1HD LYS 11 -15.876 -2.181 -3.521
53 HD3 LYS 11 2HD LYS 11 -17.335 -2.727 -4.350
54 HE2 LYS 11 1HE LYS 11 -18.516 -2.202 -2.110
55 HE3 LYS 11 2HE LYS 11 -17.073 -1.254 -1.754
56 HZ1 LYS 11 3HZ LYS 11 -17.472 0.135 -3.601
57 HZ2 LYS 11 1HZ LYS 11 -18.959 -0.011 -2.806
58 HZ3 LYS 11 2HZ LYS 11 -18.668 -0.886 -4.224
59 H ARG 12 H ARG 12 -14.645 -7.279 -0.329
60 HA ARG 12 HA ARG 12 -12.827 -6.454 1.729
61 HB2 ARG 12 1HB ARG 12 -11.823 -8.761 1.280
62 HB3 ARG 12 2HB ARG 12 -13.486 -8.709 1.850
63 HG2 ARG 12 1HG ARG 12 -14.341 -9.431 -0.140
64 HG3 ARG 12 2HG ARG 12 -13.002 -8.769 -1.080
65 HD2 ARG 12 1HD ARG 12 -11.564 -10.541 -0.453
66 HD3 ARG 12 2HD ARG 12 -12.675 -11.092 0.800
67 HE ARG 12 HE ARG 12 -13.909 -12.192 -0.803
68 HH11 ARG 12 1HH1 ARG 12 -11.558 -10.123 -2.323
69 HH12 ARG 12 2HH1 ARG 12 -11.802 -10.789 -3.904
70 HH21 ARG 12 1HH2 ARG 12 -14.239 -13.077 -2.880
71 HH22 ARG 12 2HH2 ARG 12 -13.327 -12.468 -4.220
72 H TYR 13 H TYR 13 -11.802 -4.673 0.628
73 HA TYR 13 HA TYR 13 -10.352 -4.927 -1.763
74 HB2 TYR 13 1HB TYR 13 -9.631 -3.057 0.490
75 HB3 TYR 13 2HB TYR 13 -9.373 -2.823 -1.235
76 HD1 TYR 13 HD2 TYR 13 -11.368 -2.436 -2.721
77 HD2 TYR 13 HD1 TYR 13 -11.648 -2.386 1.524
78 HE1 TYR 13 HE2 TYR 13 -13.506 -1.232 -2.882
79 HE2 TYR 13 HE1 TYR 13 -13.788 -1.183 1.375
80 HH TYR 13 HH TYR 13 -15.061 -0.077 -1.725
81 H LYS 14 H LYS 14 -8.699 -6.233 -2.138
82 HA LYS 14 HA LYS 14 -6.993 -7.108 0.058
83 HB2 LYS 14 1HB LYS 14 -7.836 -8.823 -1.448
84 HB3 LYS 14 2HB LYS 14 -7.145 -7.985 -2.831
85 HG2 LYS 14 1HG LYS 14 -4.910 -8.295 -1.469
86 HG3 LYS 14 2HG LYS 14 -5.815 -9.627 -0.745
87 HD2 LYS 14 1HD LYS 14 -5.916 -10.805 -2.710
88 HD3 LYS 14 2HD LYS 14 -5.821 -9.354 -3.710
89 HE2 LYS 14 1HE LYS 14 -3.524 -10.407 -2.071
90 HE3 LYS 14 2HE LYS 14 -3.789 -10.829 -3.762
91 HZ1 LYS 14 3HZ LYS 14 -3.916 -8.040 -3.502
92 HZ2 LYS 14 1HZ LYS 14 -2.785 -8.966 -4.355
93 HZ3 LYS 14 2HZ LYS 14 -2.507 -8.574 -2.733
94 H CYS 15 H CYS 15 -4.876 -6.596 0.286
95 HA CYS 15 HA CYS 15 -3.894 -4.311 -1.146
96 HB2 CYS 15 1HB CYS 15 -3.503 -4.878 1.326
97 HB3 CYS 15 2HB CYS 15 -2.290 -6.017 0.750
98 H ASN 16 H ASN 16 -3.064 -4.478 -3.117
99 HA ASN 16 HA ASN 16 -2.134 -6.884 -4.261
100 HB2 ASN 16 1HB ASN 16 -2.014 -3.995 -5.067
101 HB3 ASN 16 2HB ASN 16 -1.128 -5.205 -5.991
102 HD21 ASN 16 1HD2 ASN 16 -3.092 -3.728 -7.167
103 HD22 ASN 16 2HD2 ASN 16 -4.451 -4.735 -7.522
104 H GLU 17 H GLU 17 -0.645 -4.641 -2.179
105 HA GLU 17 HA GLU 17 2.060 -5.071 -3.028
106 HB2 GLU 17 1HB GLU 17 0.787 -3.776 -0.635
107 HB3 GLU 17 2HB GLU 17 2.523 -4.050 -0.691
108 HG2 GLU 17 1HG GLU 17 2.091 -1.820 -1.404
109 HG3 GLU 17 2HG GLU 17 2.604 -2.757 -2.806
110 H CYS 18 H CYS 18 0.533 -5.844 0.099
111 HA CYS 18 HA CYS 18 2.396 -8.058 0.434
112 HB2 CYS 18 1HB CYS 18 1.290 -8.195 2.724
113 HB3 CYS 18 2HB CYS 18 2.194 -6.724 2.380
114 H GLY 19 H GLY 19 -1.119 -7.507 0.438
115 HA2 GLY 19 1HA GLY 19 -2.437 -9.135 -0.885
116 HA3 GLY 19 2HA GLY 19 -1.452 -10.387 -0.143
117 H LYS 20 H LYS 20 -2.353 -7.769 1.878
118 HA LYS 20 HA LYS 20 -3.973 -9.542 3.492
119 HB2 LYS 20 1HB LYS 20 -2.724 -6.865 3.841
120 HB3 LYS 20 2HB LYS 20 -4.144 -7.224 4.815
121 HG2 LYS 20 1HG LYS 20 -3.067 -9.127 5.794
122 HG3 LYS 20 2HG LYS 20 -1.687 -8.959 4.706
123 HD2 LYS 20 1HD LYS 20 -0.835 -7.920 6.551
124 HD3 LYS 20 2HD LYS 20 -1.611 -6.536 5.777
125 HE2 LYS 20 1HE LYS 20 -3.294 -6.445 7.320
126 HE3 LYS 20 2HE LYS 20 -3.234 -8.175 7.648
127 HZ1 LYS 20 3HZ LYS 20 -1.374 -6.090 8.638
128 HZ2 LYS 20 1HZ LYS 20 -1.070 -7.748 8.785
129 HZ3 LYS 20 2HZ LYS 20 -2.413 -7.064 9.552
130 H VAL 21 H VAL 21 -5.891 -8.104 4.614
131 HA VAL 21 HA VAL 21 -7.483 -6.873 2.482
132 HB VAL 21 HB VAL 21 -9.490 -8.169 3.499
133 HG11 VAL 21 1HG1 VAL 21 -9.018 -8.547 1.252
134 HG12 VAL 21 2HG1 VAL 21 -7.439 -9.253 1.602
135 HG13 VAL 21 3HG1 VAL 21 -8.910 -10.156 1.965
136 HG21 VAL 21 3HG2 VAL 21 -8.680 -10.538 4.118
137 HG22 VAL 21 1HG2 VAL 21 -7.138 -9.757 4.462
138 HG23 VAL 21 2HG2 VAL 21 -8.588 -9.273 5.342
139 H PHE 22 H PHE 22 -9.179 -5.514 3.225
140 HA PHE 22 HA PHE 22 -9.159 -4.894 6.093
141 HB2 PHE 22 1HB PHE 22 -9.018 -2.798 3.917
142 HB3 PHE 22 2HB PHE 22 -9.042 -2.508 5.654
143 HD1 PHE 22 HD2 PHE 22 -7.059 -4.318 3.069
144 HD2 PHE 22 HD1 PHE 22 -7.047 -2.182 6.750
145 HE1 PHE 22 HE2 PHE 22 -4.601 -4.412 3.112
146 HE2 PHE 22 HE1 PHE 22 -4.589 -2.272 6.799
147 HZ PHE 22 HZ PHE 22 -3.362 -3.389 4.979
148 H SER 23 H SER 23 -11.070 -3.975 6.898
149 HA SER 23 HA SER 23 -13.448 -4.873 5.712
150 HB2 SER 23 1HB SER 23 -13.078 -2.756 7.845
151 HB3 SER 23 2HB SER 23 -14.595 -3.571 7.465
152 HG SER 23 HG SER 23 -13.786 -4.743 9.099
153 H ARG 24 H ARG 24 -11.874 -1.718 5.697
154 HA ARG 24 HA ARG 24 -13.765 -0.871 3.606
155 HB2 ARG 24 1HB ARG 24 -12.605 0.892 5.771
156 HB3 ARG 24 2HB ARG 24 -13.674 1.414 4.476
157 HG2 ARG 24 1HG ARG 24 -14.466 -0.658 6.502
158 HG3 ARG 24 2HG ARG 24 -14.735 1.071 6.735
159 HD2 ARG 24 1HD ARG 24 -15.655 -0.187 4.199
160 HD3 ARG 24 2HD ARG 24 -16.582 -0.483 5.669
161 HE ARG 24 HE ARG 24 -16.352 2.011 4.220
162 HH11 ARG 24 1HH1 ARG 24 -17.256 0.436 7.190
163 HH12 ARG 24 2HH1 ARG 24 -18.299 1.720 7.706
164 HH21 ARG 24 1HH2 ARG 24 -17.722 3.709 4.888
165 HH22 ARG 24 2HH2 ARG 24 -18.564 3.581 6.395
166 H ASN 25 H ASN 25 -12.923 0.595 2.037
167 HA ASN 25 HA ASN 25 -10.263 0.008 1.252
168 HB2 ASN 25 1HB ASN 25 -10.679 1.661 -0.559
169 HB3 ASN 25 2HB ASN 25 -11.959 0.459 -0.420
170 HD21 ASN 25 1HD2 ASN 25 -11.184 3.750 -0.426
171 HD22 ASN 25 2HD2 ASN 25 -12.748 4.369 -0.032
172 H SER 26 H SER 26 -11.764 2.708 2.911
173 HA SER 26 HA SER 26 -9.692 4.578 2.686
174 HB2 SER 26 1HB SER 26 -12.050 4.960 3.574
175 HB3 SER 26 2HB SER 26 -11.479 4.294 5.104
176 HG SER 26 HG SER 26 -9.956 6.314 3.938
177 H GLN 27 H GLN 27 -9.910 1.679 4.502
178 HA GLN 27 HA GLN 27 -7.750 2.458 6.307
179 HB2 GLN 27 1HB GLN 27 -9.487 -0.006 6.159
180 HB3 GLN 27 2HB GLN 27 -8.146 0.164 7.284
181 HG2 GLN 27 1HG GLN 27 -10.313 2.218 7.202
182 HG3 GLN 27 2HG GLN 27 -10.550 0.700 8.066
183 HE21 GLN 27 1HE2 GLN 27 -10.627 1.617 10.081
184 HE22 GLN 27 2HE2 GLN 27 -9.254 2.331 10.847
185 H LEU 28 H LEU 28 -8.217 0.896 3.331
186 HA LEU 28 HA LEU 28 -5.790 -0.703 3.530
187 HB2 LEU 28 1HB LEU 28 -7.388 -1.892 2.376
188 HB3 LEU 28 2HB LEU 28 -8.020 -0.459 1.568
189 HG LEU 28 HG LEU 28 -5.802 -0.466 0.265
190 HD11 LEU 28 1HD1 LEU 28 -5.127 -3.005 0.031
191 HD12 LEU 28 2HD1 LEU 28 -5.688 -3.065 1.701
192 HD13 LEU 28 3HD1 LEU 28 -4.389 -1.963 1.247
193 HD21 LEU 28 3HD2 LEU 28 -7.330 -2.871 -0.499
194 HD22 LEU 28 1HD2 LEU 28 -6.911 -1.440 -1.442
195 HD23 LEU 28 2HD2 LEU 28 -8.263 -1.386 -0.311
196 H SER 29 H SER 29 -7.070 1.925 1.498
197 HA SER 29 HA SER 29 -4.875 2.389 -0.097
198 HB2 SER 29 1HB SER 29 -7.022 3.539 -0.402
199 HB3 SER 29 2HB SER 29 -6.749 4.460 1.076
200 HG SER 29 HG SER 29 -5.961 5.060 -1.367
201 H GLN 30 H GLN 30 -5.496 3.585 3.174
202 HA GLN 30 HA GLN 30 -3.186 5.223 3.329
203 HB2 GLN 30 1HB GLN 30 -3.661 5.392 5.681
204 HB3 GLN 30 2HB GLN 30 -5.183 5.451 4.801
205 HG2 GLN 30 1HG GLN 30 -5.765 4.008 6.447
206 HG3 GLN 30 2HG GLN 30 -5.144 2.854 5.267
207 HE21 GLN 30 1HE2 GLN 30 -4.213 4.767 8.085
208 HE22 GLN 30 2HE2 GLN 30 -3.045 3.644 8.684
209 H HIS 31 H HIS 31 -3.649 1.850 3.503
210 HA HIS 31 HA HIS 31 -1.184 1.390 4.993
211 HB2 HIS 31 1HB HIS 31 -2.831 -0.128 5.666
212 HB3 HIS 31 2HB HIS 31 -3.408 -0.379 4.021
213 HD1 HIS 31 HD1 HIS 31 -0.435 -1.237 6.208
214 HD2 HIS 31 HD2 HIS 31 -2.343 -2.550 2.760
215 HE1 HIS 31 HE1 HIS 31 0.697 -3.397 5.595
216 H GLN 32 H GLN 32 -2.510 1.025 1.753
217 HA GLN 32 HA GLN 32 -0.444 -0.453 0.593
218 HB2 GLN 32 1HB GLN 32 -2.417 1.527 -0.514
219 HB3 GLN 32 2HB GLN 32 -1.200 0.789 -1.547
220 HG2 GLN 32 1HG GLN 32 -2.072 -1.447 -0.742
221 HG3 GLN 32 2HG GLN 32 -3.428 -0.555 -0.054
222 HE21 GLN 32 1HE2 GLN 32 -4.670 -1.928 -1.517
223 HE22 GLN 32 2HE2 GLN 32 -4.879 -1.423 -3.156
224 H LYS 33 H LYS 33 -0.387 2.675 1.852
225 HA LYS 33 HA LYS 33 1.765 3.609 0.127
226 HB2 LYS 33 1HB LYS 33 1.656 5.635 1.664
227 HB3 LYS 33 2HB LYS 33 0.232 5.318 0.681
228 HG2 LYS 33 1HG LYS 33 -1.057 4.765 2.473
229 HG3 LYS 33 2HG LYS 33 0.311 4.165 3.413
230 HD2 LYS 33 1HD LYS 33 -0.585 6.230 4.367
231 HD3 LYS 33 2HD LYS 33 1.067 6.458 3.787
232 HE2 LYS 33 1HE LYS 33 0.105 8.323 2.899
233 HE3 LYS 33 2HE LYS 33 -0.203 7.192 1.582
234 HZ1 LYS 33 3HZ LYS 33 -2.200 8.384 2.060
235 HZ2 LYS 33 1HZ LYS 33 -2.108 8.006 3.707
236 HZ3 LYS 33 2HZ LYS 33 -2.414 6.787 2.575
237 H ILE 34 H ILE 34 1.380 1.891 3.027
238 HA ILE 34 HA ILE 34 3.702 2.736 4.417
239 HB ILE 34 HB ILE 34 3.370 0.922 5.872
240 HG12 ILE 34 1HG1 ILE 34 1.587 -0.878 5.024
241 HG13 ILE 34 2HG1 ILE 34 2.229 -0.396 3.458
242 HG21 ILE 34 1HG2 ILE 34 0.621 0.802 5.626
243 HG22 ILE 34 2HG2 ILE 34 1.538 2.001 6.536
244 HG23 ILE 34 3HG2 ILE 34 1.044 2.342 4.878
245 HD11 ILE 34 3HD1 ILE 34 4.339 -0.902 5.364
246 HD12 ILE 34 1HD1 ILE 34 3.276 -2.295 5.170
247 HD13 ILE 34 2HD1 ILE 34 4.071 -1.589 3.762
248 H HIS 35 H HIS 35 3.171 0.582 1.764
249 HA HIS 35 HA HIS 35 5.612 -0.887 2.030
250 HB2 HIS 35 1HB HIS 35 3.847 -0.525 -0.401
251 HB3 HIS 35 2HB HIS 35 5.102 -1.745 -0.205
252 HD1 HIS 35 HD1 HIS 35 4.625 -3.541 1.759
253 HD2 HIS 35 HD2 HIS 35 1.384 -1.272 0.491
254 HE1 HIS 35 HE1 HIS 35 2.586 -4.766 2.576
255 H THR 36 H THR 36 4.690 2.133 0.609
256 HA THR 36 HA THR 36 6.478 2.623 -1.364
257 HB THR 36 HB THR 36 6.522 4.986 -0.685
258 HG1 THR 36 HG1 THR 36 5.497 3.904 1.724
259 HG21 THR 36 3HG2 THR 36 3.912 5.151 -0.305
260 HG22 THR 36 1HG2 THR 36 3.980 3.432 -0.691
261 HG23 THR 36 2HG2 THR 36 4.579 4.621 -1.849
262 H GLY 37 H GLY 37 7.164 2.728 2.115
263 HA2 GLY 37 1HA GLY 37 9.147 2.672 3.269
264 HA3 GLY 37 2HA GLY 37 9.821 1.883 1.851
265 H GLU 38 H GLU 38 9.632 4.777 3.675
266 HA GLU 38 HA GLU 38 11.247 6.186 1.655
267 HB2 GLU 38 1HB GLU 38 10.569 8.252 3.016
268 HB3 GLU 38 2HB GLU 38 9.340 7.503 2.008
269 HG2 GLU 38 1HG GLU 38 9.633 6.895 4.933
270 HG3 GLU 38 2HG GLU 38 8.625 8.204 4.320
271 H LYS 39 H LYS 39 12.998 4.791 2.609
272 HA LYS 39 HA LYS 39 13.936 5.518 5.244
273 HB2 LYS 39 1HB LYS 39 15.179 3.798 3.090
274 HB3 LYS 39 2HB LYS 39 15.828 3.999 4.712
275 HG2 LYS 39 1HG LYS 39 13.899 2.946 5.675
276 HG3 LYS 39 2HG LYS 39 13.101 2.879 4.102
277 HD2 LYS 39 1HD LYS 39 13.929 0.747 4.227
278 HD3 LYS 39 2HD LYS 39 15.280 1.557 3.430
279 HE2 LYS 39 1HE LYS 39 15.237 1.488 6.402
280 HE3 LYS 39 2HE LYS 39 15.628 -0.002 5.544
281 HZ1 LYS 39 3HZ LYS 39 17.003 2.512 4.856
282 HZ2 LYS 39 1HZ LYS 39 17.524 0.917 4.638
283 HZ3 LYS 39 2HZ LYS 39 17.515 1.600 6.185
284 HA PRO 40 HA PRO 40 16.539 8.867 4.092
285 HB2 PRO 40 1HB PRO 40 18.438 8.675 6.022
286 HB3 PRO 40 2HB PRO 40 16.800 9.257 6.341
287 HG2 PRO 40 1HG PRO 40 17.969 6.542 6.810
288 HG3 PRO 40 2HG PRO 40 16.907 7.499 7.859
289 HD2 PRO 40 1HD PRO 40 15.990 5.470 6.317
290 HD3 PRO 40 2HD PRO 40 15.010 6.902 6.693
291 H SER 41 H SER 41 18.996 9.345 3.850
292 HA SER 41 HA SER 41 20.041 7.362 2.028
293 HB2 SER 41 1HB SER 41 20.089 9.979 1.818
294 HB3 SER 41 2HB SER 41 21.548 9.837 2.799
295 HG SER 41 HG SER 41 22.538 9.299 1.039
296 H GLY 42 H GLY 42 21.854 6.126 2.278
297 HA2 GLY 42 1HA GLY 42 23.027 6.117 4.988
298 HA3 GLY 42 2HA GLY 42 22.867 4.694 3.970
299 HA PRO 43 HA PRO 43 26.930 5.239 2.433
300 HB2 PRO 43 1HB PRO 43 26.683 4.494 -0.166
301 HB3 PRO 43 2HB PRO 43 26.610 3.344 1.174
302 HG2 PRO 43 1HG PRO 43 24.373 4.592 -0.375
303 HG3 PRO 43 2HG PRO 43 24.564 2.911 0.157
304 HD2 PRO 43 1HD PRO 43 22.987 4.681 1.464
305 HD3 PRO 43 2HD PRO 43 23.851 3.374 2.299
306 H SER 44 H SER 44 24.337 7.026 1.047
307 HA SER 44 HA SER 44 26.236 8.818 -0.316
308 HB2 SER 44 1HB SER 44 24.555 7.911 -1.827
309 HB3 SER 44 2HB SER 44 23.262 8.447 -0.754
310 HG SER 44 HG SER 44 25.074 10.372 -1.626
311 H SER 45 H SER 45 26.096 11.051 0.004
312 HA SER 45 HA SER 45 25.080 11.802 2.615
313 HB2 SER 45 1HB SER 45 26.860 13.130 0.586
314 HB3 SER 45 2HB SER 45 26.183 14.050 1.930
315 HG SER 45 HG SER 45 27.099 12.027 3.130
316 H GLY 46 H GLY 46 22.832 11.774 2.277
317 HA2 GLY 46 1HA GLY 46 21.835 13.919 0.505
318 HA3 GLY 46 2HA GLY 46 20.943 12.443 0.845
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -34.134 1.820 -0.387
2 HA2 GLY 1 1HA GLY 1 -36.115 0.065 0.439
3 HA3 GLY 1 2HA GLY 1 -35.699 0.374 -1.240
4 H SER 2 H SER 2 -36.620 -2.097 -0.431
5 HA SER 2 HA SER 2 -34.519 -3.916 0.167
6 HB2 SER 2 1HB SER 2 -37.240 -4.419 -1.064
7 HB3 SER 2 2HB SER 2 -36.161 -5.666 -0.438
8 HG SER 2 HG SER 2 -37.960 -4.476 0.924
9 H SER 3 H SER 3 -32.832 -3.655 -1.265
10 HA SER 3 HA SER 3 -33.404 -4.336 -4.076
11 HB2 SER 3 1HB SER 3 -32.522 -2.117 -4.013
12 HB3 SER 3 2HB SER 3 -31.251 -2.583 -2.883
13 HG SER 3 HG SER 3 -31.502 -3.262 -5.618
14 H GLY 4 H GLY 4 -32.506 -6.125 -4.892
15 HA2 GLY 4 1HA GLY 4 -31.283 -8.054 -3.302
16 HA3 GLY 4 2HA GLY 4 -31.240 -8.031 -5.059
17 H SER 5 H SER 5 -29.381 -7.974 -2.319
18 HA SER 5 HA SER 5 -27.067 -6.989 -3.840
19 HB2 SER 5 1HB SER 5 -26.209 -5.789 -1.952
20 HB3 SER 5 2HB SER 5 -27.885 -5.282 -2.163
21 HG SER 5 HG SER 5 -26.992 -7.264 -0.336
22 H SER 6 H SER 6 -24.977 -7.590 -2.548
23 HA SER 6 HA SER 6 -23.572 -9.284 -1.965
24 HB2 SER 6 1HB SER 6 -25.942 -9.902 -0.195
25 HB3 SER 6 2HB SER 6 -24.409 -10.766 -0.083
26 HG SER 6 HG SER 6 -25.075 -8.352 0.908
27 H GLY 7 H GLY 7 -24.861 -9.727 -4.357
28 HA2 GLY 7 1HA GLY 7 -26.131 -12.268 -4.504
29 HA3 GLY 7 2HA GLY 7 -25.460 -11.366 -5.855
30 H THR 8 H THR 8 -22.911 -11.300 -5.697
31 HA THR 8 HA THR 8 -22.080 -14.108 -5.479
32 HB THR 8 HB THR 8 -20.770 -11.832 -6.981
33 HG1 THR 8 HG1 THR 8 -22.468 -13.968 -7.762
34 HG21 THR 8 3HG2 THR 8 -18.961 -13.166 -6.788
35 HG22 THR 8 1HG2 THR 8 -19.762 -14.124 -8.033
36 HG23 THR 8 2HG2 THR 8 -19.920 -14.574 -6.335
37 H GLY 9 H GLY 9 -21.567 -14.235 -3.298
38 HA2 GLY 9 1HA GLY 9 -20.299 -13.979 -1.400
39 HA3 GLY 9 2HA GLY 9 -18.980 -13.651 -2.514
40 H GLU 10 H GLU 10 -18.015 -12.105 -1.212
41 HA GLU 10 HA GLU 10 -19.489 -9.563 -1.036
42 HB2 GLU 10 1HB GLU 10 -17.880 -10.972 1.061
43 HB3 GLU 10 2HB GLU 10 -17.955 -9.216 1.060
44 HG2 GLU 10 1HG GLU 10 -19.669 -9.759 2.483
45 HG3 GLU 10 2HG GLU 10 -20.521 -9.582 0.949
46 H LYS 11 H LYS 11 -17.952 -7.679 -0.693
47 HA LYS 11 HA LYS 11 -15.703 -7.997 -2.549
48 HB2 LYS 11 1HB LYS 11 -15.787 -5.457 -2.583
49 HB3 LYS 11 2HB LYS 11 -17.164 -6.292 -3.289
50 HG2 LYS 11 1HG LYS 11 -18.443 -5.920 -1.241
51 HG3 LYS 11 2HG LYS 11 -17.061 -5.081 -0.533
52 HD2 LYS 11 1HD LYS 11 -17.200 -3.335 -2.164
53 HD3 LYS 11 2HD LYS 11 -18.414 -4.224 -3.088
54 HE2 LYS 11 1HE LYS 11 -19.918 -4.074 -1.095
55 HE3 LYS 11 2HE LYS 11 -18.725 -3.014 -0.344
56 HZ1 LYS 11 3HZ LYS 11 -19.668 -2.321 -3.024
57 HZ2 LYS 11 1HZ LYS 11 -19.216 -1.313 -1.743
58 HZ3 LYS 11 2HZ LYS 11 -20.729 -2.068 -1.731
59 H ARG 12 H ARG 12 -13.794 -8.322 -1.625
60 HA ARG 12 HA ARG 12 -13.195 -6.910 0.892
61 HB2 ARG 12 1HB ARG 12 -11.455 -8.796 1.155
62 HB3 ARG 12 2HB ARG 12 -13.145 -9.175 1.460
63 HG2 ARG 12 1HG ARG 12 -13.364 -10.360 -0.540
64 HG3 ARG 12 2HG ARG 12 -11.896 -9.654 -1.220
65 HD2 ARG 12 1HD ARG 12 -10.669 -10.826 0.696
66 HD3 ARG 12 2HD ARG 12 -12.157 -11.746 0.918
67 HE ARG 12 HE ARG 12 -11.518 -11.948 -1.760
68 HH11 ARG 12 1HH1 ARG 12 -10.051 -12.792 1.283
69 HH12 ARG 12 2HH1 ARG 12 -9.190 -14.151 0.639
70 HH21 ARG 12 1HH2 ARG 12 -10.389 -13.734 -2.619
71 HH22 ARG 12 2HH2 ARG 12 -9.382 -14.685 -1.580
72 H TYR 13 H TYR 13 -11.835 -5.282 0.598
73 HA TYR 13 HA TYR 13 -10.269 -4.968 -1.754
74 HB2 TYR 13 1HB TYR 13 -9.769 -3.433 0.778
75 HB3 TYR 13 2HB TYR 13 -9.641 -2.887 -0.890
76 HD1 TYR 13 HD2 TYR 13 -12.266 -3.788 -1.953
77 HD2 TYR 13 HD1 TYR 13 -11.267 -1.912 1.733
78 HE1 TYR 13 HE2 TYR 13 -14.536 -2.848 -1.823
79 HE2 TYR 13 HE1 TYR 13 -13.534 -0.968 1.874
80 HH TYR 13 HH TYR 13 -15.407 -0.381 -0.064
81 H LYS 14 H LYS 14 -8.690 -6.428 -2.091
82 HA LYS 14 HA LYS 14 -6.942 -7.241 0.087
83 HB2 LYS 14 1HB LYS 14 -7.848 -8.832 -1.673
84 HB3 LYS 14 2HB LYS 14 -6.756 -8.057 -2.812
85 HG2 LYS 14 1HG LYS 14 -4.892 -8.646 -1.189
86 HG3 LYS 14 2HG LYS 14 -6.070 -9.690 -0.391
87 HD2 LYS 14 1HD LYS 14 -6.394 -10.947 -2.432
88 HD3 LYS 14 2HD LYS 14 -5.327 -9.850 -3.312
89 HE2 LYS 14 1HE LYS 14 -3.857 -11.538 -2.862
90 HE3 LYS 14 2HE LYS 14 -3.626 -10.553 -1.418
91 HZ1 LYS 14 3HZ LYS 14 -5.585 -12.091 -0.576
92 HZ2 LYS 14 1HZ LYS 14 -3.962 -12.552 -0.444
93 HZ3 LYS 14 2HZ LYS 14 -4.913 -13.155 -1.706
94 H CYS 15 H CYS 15 -4.850 -6.646 0.339
95 HA CYS 15 HA CYS 15 -3.953 -4.282 -0.991
96 HB2 CYS 15 1HB CYS 15 -3.473 -4.921 1.418
97 HB3 CYS 15 2HB CYS 15 -2.309 -6.083 0.790
98 H ASN 16 H ASN 16 -2.945 -4.175 -2.876
99 HA ASN 16 HA ASN 16 -1.957 -6.551 -4.167
100 HB2 ASN 16 1HB ASN 16 -2.033 -3.648 -5.003
101 HB3 ASN 16 2HB ASN 16 -1.370 -4.928 -6.015
102 HD21 ASN 16 1HD2 ASN 16 -2.895 -6.834 -6.296
103 HD22 ASN 16 2HD2 ASN 16 -4.547 -6.444 -6.619
104 H GLU 17 H GLU 17 -0.660 -4.817 -1.798
105 HA GLU 17 HA GLU 17 2.049 -4.689 -2.901
106 HB2 GLU 17 1HB GLU 17 1.109 -3.774 -0.181
107 HB3 GLU 17 2HB GLU 17 2.633 -3.386 -0.966
108 HG2 GLU 17 1HG GLU 17 -0.110 -2.476 -1.798
109 HG3 GLU 17 2HG GLU 17 1.167 -1.492 -1.085
110 H CYS 18 H CYS 18 0.345 -5.988 -0.057
111 HA CYS 18 HA CYS 18 2.502 -7.977 0.216
112 HB2 CYS 18 1HB CYS 18 1.783 -8.155 2.601
113 HB3 CYS 18 2HB CYS 18 2.412 -6.568 2.170
114 H GLY 19 H GLY 19 -1.003 -7.499 0.602
115 HA2 GLY 19 1HA GLY 19 -2.337 -9.213 -0.671
116 HA3 GLY 19 2HA GLY 19 -1.341 -10.401 0.157
117 H LYS 20 H LYS 20 -2.235 -7.608 1.945
118 HA LYS 20 HA LYS 20 -3.781 -9.229 3.766
119 HB2 LYS 20 1HB LYS 20 -2.657 -6.471 3.775
120 HB3 LYS 20 2HB LYS 20 -4.028 -6.796 4.828
121 HG2 LYS 20 1HG LYS 20 -2.672 -8.784 5.684
122 HG3 LYS 20 2HG LYS 20 -1.295 -8.026 4.880
123 HD2 LYS 20 1HD LYS 20 -1.088 -7.086 6.951
124 HD3 LYS 20 2HD LYS 20 -2.159 -5.900 6.200
125 HE2 LYS 20 1HE LYS 20 -4.093 -7.148 7.160
126 HE3 LYS 20 2HE LYS 20 -2.944 -8.172 8.021
127 HZ1 LYS 20 3HZ LYS 20 -2.709 -5.272 8.336
128 HZ2 LYS 20 1HZ LYS 20 -2.380 -6.508 9.443
129 HZ3 LYS 20 2HZ LYS 20 -3.979 -6.053 9.133
130 H VAL 21 H VAL 21 -5.737 -7.730 4.748
131 HA VAL 21 HA VAL 21 -7.387 -6.719 2.567
132 HB VAL 21 HB VAL 21 -9.335 -8.118 3.455
133 HG11 VAL 21 1HG1 VAL 21 -8.212 -8.444 1.268
134 HG12 VAL 21 2HG1 VAL 21 -7.123 -9.598 2.038
135 HG13 VAL 21 3HG1 VAL 21 -8.852 -9.936 1.955
136 HG21 VAL 21 3HG2 VAL 21 -8.462 -8.989 5.472
137 HG22 VAL 21 1HG2 VAL 21 -8.565 -10.355 4.360
138 HG23 VAL 21 2HG2 VAL 21 -7.008 -9.588 4.672
139 H PHE 22 H PHE 22 -9.262 -5.548 3.297
140 HA PHE 22 HA PHE 22 -9.363 -4.916 6.148
141 HB2 PHE 22 1HB PHE 22 -9.218 -2.737 4.061
142 HB3 PHE 22 2HB PHE 22 -9.222 -2.544 5.811
143 HD1 PHE 22 HD2 PHE 22 -7.243 -4.108 3.074
144 HD2 PHE 22 HD1 PHE 22 -7.220 -2.306 6.929
145 HE1 PHE 22 HE2 PHE 22 -4.783 -4.160 3.079
146 HE2 PHE 22 HE1 PHE 22 -4.760 -2.353 6.941
147 HZ PHE 22 HZ PHE 22 -3.538 -3.282 5.015
148 H SER 23 H SER 23 -11.268 -3.431 6.614
149 HA SER 23 HA SER 23 -13.577 -4.511 5.219
150 HB2 SER 23 1HB SER 23 -14.882 -3.506 7.046
151 HB3 SER 23 2HB SER 23 -13.567 -4.496 7.678
152 HG SER 23 HG SER 23 -13.203 -1.734 7.273
153 H ARG 24 H ARG 24 -11.970 -1.430 5.737
154 HA ARG 24 HA ARG 24 -13.817 -0.212 3.791
155 HB2 ARG 24 1HB ARG 24 -12.395 1.191 6.061
156 HB3 ARG 24 2HB ARG 24 -13.504 1.929 4.913
157 HG2 ARG 24 1HG ARG 24 -15.205 0.199 5.804
158 HG3 ARG 24 2HG ARG 24 -14.090 0.056 7.165
159 HD2 ARG 24 1HD ARG 24 -14.965 2.762 6.261
160 HD3 ARG 24 2HD ARG 24 -16.060 1.779 7.231
161 HE ARG 24 HE ARG 24 -13.828 1.675 8.689
162 HH11 ARG 24 1HH1 ARG 24 -15.452 4.357 7.176
163 HH12 ARG 24 2HH1 ARG 24 -14.931 5.509 8.360
164 HH21 ARG 24 1HH2 ARG 24 -13.136 3.182 10.255
165 HH22 ARG 24 2HH2 ARG 24 -13.613 4.840 10.111
166 H ASN 25 H ASN 25 -12.943 0.829 2.079
167 HA ASN 25 HA ASN 25 -10.332 0.295 1.272
168 HB2 ASN 25 1HB ASN 25 -12.046 2.602 0.329
169 HB3 ASN 25 2HB ASN 25 -10.727 1.836 -0.552
170 HD21 ASN 25 1HD2 ASN 25 -11.038 -0.191 -1.469
171 HD22 ASN 25 2HD2 ASN 25 -12.614 -0.857 -1.707
172 H SER 26 H SER 26 -11.658 3.009 3.049
173 HA SER 26 HA SER 26 -9.468 4.762 2.807
174 HB2 SER 26 1HB SER 26 -11.497 4.518 5.042
175 HB3 SER 26 2HB SER 26 -10.407 5.884 4.804
176 HG SER 26 HG SER 26 -12.172 5.026 2.774
177 H GLN 27 H GLN 27 -9.905 1.886 4.622
178 HA GLN 27 HA GLN 27 -7.729 2.513 6.461
179 HB2 GLN 27 1HB GLN 27 -9.597 0.152 6.247
180 HB3 GLN 27 2HB GLN 27 -8.271 0.233 7.399
181 HG2 GLN 27 1HG GLN 27 -10.746 1.919 7.282
182 HG3 GLN 27 2HG GLN 27 -10.184 0.876 8.587
183 HE21 GLN 27 1HE2 GLN 27 -10.611 3.966 7.813
184 HE22 GLN 27 2HE2 GLN 27 -9.343 4.706 8.723
185 H LEU 28 H LEU 28 -8.316 0.838 3.519
186 HA LEU 28 HA LEU 28 -5.959 -0.835 3.723
187 HB2 LEU 28 1HB LEU 28 -7.557 -1.945 2.522
188 HB3 LEU 28 2HB LEU 28 -8.168 -0.473 1.770
189 HG LEU 28 HG LEU 28 -5.997 -0.480 0.414
190 HD11 LEU 28 1HD1 LEU 28 -5.114 -2.822 0.085
191 HD12 LEU 28 2HD1 LEU 28 -5.945 -3.251 1.580
192 HD13 LEU 28 3HD1 LEU 28 -4.670 -2.033 1.599
193 HD21 LEU 28 3HD2 LEU 28 -8.486 -1.474 -0.072
194 HD22 LEU 28 1HD2 LEU 28 -7.468 -2.872 -0.417
195 HD23 LEU 28 2HD2 LEU 28 -7.195 -1.351 -1.268
196 H SER 29 H SER 29 -7.046 1.844 1.640
197 HA SER 29 HA SER 29 -4.790 2.184 0.105
198 HB2 SER 29 1HB SER 29 -7.031 3.450 0.016
199 HB3 SER 29 2HB SER 29 -6.312 4.545 1.196
200 HG SER 29 HG SER 29 -4.857 3.931 -1.112
201 H GLN 30 H GLN 30 -5.438 3.503 3.331
202 HA GLN 30 HA GLN 30 -3.087 5.026 3.562
203 HB2 GLN 30 1HB GLN 30 -3.574 5.166 5.897
204 HB3 GLN 30 2HB GLN 30 -5.109 5.192 5.039
205 HG2 GLN 30 1HG GLN 30 -5.706 3.092 5.759
206 HG3 GLN 30 2HG GLN 30 -4.037 2.602 6.049
207 HE21 GLN 30 1HE2 GLN 30 -5.512 1.922 8.012
208 HE22 GLN 30 2HE2 GLN 30 -5.429 3.001 9.358
209 H HIS 31 H HIS 31 -3.621 1.647 3.692
210 HA HIS 31 HA HIS 31 -1.130 1.126 5.120
211 HB2 HIS 31 1HB HIS 31 -2.802 -0.358 5.820
212 HB3 HIS 31 2HB HIS 31 -3.408 -0.596 4.184
213 HD1 HIS 31 HD1 HIS 31 -0.534 -1.596 6.415
214 HD2 HIS 31 HD2 HIS 31 -2.283 -2.696 2.811
215 HE1 HIS 31 HE1 HIS 31 0.580 -3.753 5.758
216 H GLN 32 H GLN 32 -2.586 0.583 1.935
217 HA GLN 32 HA GLN 32 -0.529 -0.838 0.735
218 HB2 GLN 32 1HB GLN 32 -2.462 1.163 -0.435
219 HB3 GLN 32 2HB GLN 32 -1.374 0.189 -1.415
220 HG2 GLN 32 1HG GLN 32 -2.449 -1.811 -0.814
221 HG3 GLN 32 2HG GLN 32 -3.313 -1.039 0.515
222 HE21 GLN 32 1HE2 GLN 32 -4.322 -2.582 -1.756
223 HE22 GLN 32 2HE2 GLN 32 -5.446 -1.551 -2.567
224 H LYS 33 H LYS 33 -0.666 2.483 1.649
225 HA LYS 33 HA LYS 33 1.424 3.386 -0.096
226 HB2 LYS 33 1HB LYS 33 1.383 5.425 1.336
227 HB3 LYS 33 2HB LYS 33 -0.191 4.992 0.681
228 HG2 LYS 33 1HG LYS 33 -0.949 4.188 2.760
229 HG3 LYS 33 2HG LYS 33 0.680 4.188 3.440
230 HD2 LYS 33 1HD LYS 33 -0.473 6.077 4.333
231 HD3 LYS 33 2HD LYS 33 0.700 6.678 3.159
232 HE2 LYS 33 1HE LYS 33 -2.054 6.079 2.213
233 HE3 LYS 33 2HE LYS 33 -1.811 7.523 3.195
234 HZ1 LYS 33 3HZ LYS 33 -0.922 8.571 1.473
235 HZ2 LYS 33 1HZ LYS 33 -1.366 7.267 0.491
236 HZ3 LYS 33 2HZ LYS 33 0.178 7.320 1.180
237 H ILE 34 H ILE 34 1.275 1.800 2.952
238 HA ILE 34 HA ILE 34 3.684 2.625 4.114
239 HB ILE 34 HB ILE 34 3.538 0.759 5.540
240 HG12 ILE 34 1HG1 ILE 34 1.740 -1.073 4.770
241 HG13 ILE 34 2HG1 ILE 34 2.275 -0.538 3.180
242 HG21 ILE 34 1HG2 ILE 34 1.134 2.168 4.807
243 HG22 ILE 34 2HG2 ILE 34 0.759 0.566 5.440
244 HG23 ILE 34 3HG2 ILE 34 1.715 1.693 6.402
245 HD11 ILE 34 3HD1 ILE 34 4.443 -1.101 5.062
246 HD12 ILE 34 1HD1 ILE 34 3.448 -2.494 4.639
247 HD13 ILE 34 2HD1 ILE 34 4.249 -1.565 3.372
248 H HIS 35 H HIS 35 3.029 0.401 1.520
249 HA HIS 35 HA HIS 35 5.692 -0.734 1.554
250 HB2 HIS 35 1HB HIS 35 3.606 -1.032 -0.608
251 HB3 HIS 35 2HB HIS 35 4.972 -2.093 -0.277
252 HD1 HIS 35 HD1 HIS 35 4.736 -3.752 1.694
253 HD2 HIS 35 HD2 HIS 35 1.361 -1.427 1.011
254 HE1 HIS 35 HE1 HIS 35 2.896 -4.828 3.029
255 H THR 36 H THR 36 3.906 1.716 -0.198
256 HA THR 36 HA THR 36 5.906 2.081 -2.225
257 HB THR 36 HB THR 36 4.603 3.965 -2.973
258 HG1 THR 36 HG1 THR 36 3.613 3.852 -0.365
259 HG21 THR 36 3HG2 THR 36 2.708 2.834 -3.641
260 HG22 THR 36 1HG2 THR 36 2.468 2.084 -2.064
261 HG23 THR 36 2HG2 THR 36 3.736 1.492 -3.138
262 H GLY 37 H GLY 37 7.264 2.167 0.108
263 HA2 GLY 37 1HA GLY 37 8.772 4.469 -0.023
264 HA3 GLY 37 2HA GLY 37 7.534 4.802 1.179
265 H GLU 38 H GLU 38 10.538 3.344 0.566
266 HA GLU 38 HA GLU 38 10.655 2.425 3.346
267 HB2 GLU 38 1HB GLU 38 11.172 0.800 0.893
268 HB3 GLU 38 2HB GLU 38 12.157 0.508 2.320
269 HG2 GLU 38 1HG GLU 38 9.208 0.595 2.645
270 HG3 GLU 38 2HG GLU 38 9.927 -0.818 1.875
271 H LYS 39 H LYS 39 13.041 1.807 3.866
272 HA LYS 39 HA LYS 39 14.827 3.768 2.585
273 HB2 LYS 39 1HB LYS 39 14.578 3.118 5.525
274 HB3 LYS 39 2HB LYS 39 15.878 4.082 4.837
275 HG2 LYS 39 1HG LYS 39 14.473 5.856 4.340
276 HG3 LYS 39 2HG LYS 39 13.022 4.851 4.393
277 HD2 LYS 39 1HD LYS 39 12.842 5.971 6.391
278 HD3 LYS 39 2HD LYS 39 13.720 4.528 6.903
279 HE2 LYS 39 1HE LYS 39 15.234 6.947 6.020
280 HE3 LYS 39 2HE LYS 39 14.532 6.903 7.637
281 HZ1 LYS 39 3HZ LYS 39 16.871 6.108 7.493
282 HZ2 LYS 39 1HZ LYS 39 16.327 4.794 6.576
283 HZ3 LYS 39 2HZ LYS 39 15.801 4.988 8.172
284 HA PRO 40 HA PRO 40 17.659 0.456 2.010
285 HB2 PRO 40 1HB PRO 40 19.999 1.831 1.989
286 HB3 PRO 40 2HB PRO 40 18.842 1.885 0.655
287 HG2 PRO 40 1HG PRO 40 19.266 3.849 2.874
288 HG3 PRO 40 2HG PRO 40 18.998 4.152 1.147
289 HD2 PRO 40 1HD PRO 40 17.028 4.385 2.991
290 HD3 PRO 40 2HD PRO 40 16.717 3.864 1.323
291 H SER 41 H SER 41 18.516 2.796 4.546
292 HA SER 41 HA SER 41 19.652 2.559 6.516
293 HB2 SER 41 1HB SER 41 17.769 0.231 6.397
294 HB3 SER 41 2HB SER 41 18.891 0.365 7.751
295 HG SER 41 HG SER 41 16.767 1.392 8.013
296 H GLY 42 H GLY 42 21.381 2.010 4.572
297 HA2 GLY 42 1HA GLY 42 23.599 1.016 5.257
298 HA3 GLY 42 2HA GLY 42 22.712 -0.495 5.396
299 HA PRO 43 HA PRO 43 24.323 0.434 0.971
300 HB2 PRO 43 1HB PRO 43 26.694 -0.888 1.036
301 HB3 PRO 43 2HB PRO 43 26.541 0.831 1.421
302 HG2 PRO 43 1HG PRO 43 26.721 -1.517 3.270
303 HG3 PRO 43 2HG PRO 43 27.523 0.061 3.384
304 HD2 PRO 43 1HD PRO 43 25.314 -0.557 4.823
305 HD3 PRO 43 2HD PRO 43 25.653 1.090 4.253
306 H SER 44 H SER 44 22.543 -1.016 0.595
307 HA SER 44 HA SER 44 21.534 -3.002 0.075
308 HB2 SER 44 1HB SER 44 23.367 -2.578 -1.723
309 HB3 SER 44 2HB SER 44 24.208 -3.920 -0.947
310 HG SER 44 HG SER 44 21.510 -4.219 -1.648
311 H SER 45 H SER 45 22.292 -2.981 2.721
312 HA SER 45 HA SER 45 23.882 -5.131 3.560
313 HB2 SER 45 1HB SER 45 21.788 -3.427 4.814
314 HB3 SER 45 2HB SER 45 22.197 -4.936 5.629
315 HG SER 45 HG SER 45 23.682 -3.625 6.437
316 H GLY 46 H GLY 46 23.580 -7.258 3.503
317 HA2 GLY 46 1HA GLY 46 21.728 -8.659 2.171
318 HA3 GLY 46 2HA GLY 46 22.458 -9.289 3.641
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -34.779 -11.192 -19.457
2 HA2 GLY 1 1HA GLY 1 -33.648 -12.156 -17.703
3 HA3 GLY 1 2HA GLY 1 -32.389 -12.593 -18.849
4 H SER 2 H SER 2 -33.621 -9.453 -17.706
5 HA SER 2 HA SER 2 -30.896 -8.834 -16.776
6 HB2 SER 2 1HB SER 2 -31.672 -7.702 -18.974
7 HB3 SER 2 2HB SER 2 -32.711 -6.730 -17.932
8 HG SER 2 HG SER 2 -30.749 -5.675 -18.219
9 H SER 3 H SER 3 -32.867 -9.877 -15.119
10 HA SER 3 HA SER 3 -33.136 -7.704 -13.213
11 HB2 SER 3 1HB SER 3 -35.514 -8.030 -12.842
12 HB3 SER 3 2HB SER 3 -35.242 -7.641 -14.541
13 HG SER 3 HG SER 3 -35.243 -10.334 -13.831
14 H GLY 4 H GLY 4 -32.309 -8.481 -11.395
15 HA2 GLY 4 1HA GLY 4 -33.233 -10.477 -9.823
16 HA3 GLY 4 2HA GLY 4 -32.165 -11.330 -10.927
17 H SER 5 H SER 5 -32.366 -9.072 -8.290
18 HA SER 5 HA SER 5 -29.448 -9.297 -7.947
19 HB2 SER 5 1HB SER 5 -29.501 -7.038 -6.902
20 HB3 SER 5 2HB SER 5 -29.974 -7.016 -8.601
21 HG SER 5 HG SER 5 -32.210 -7.327 -7.470
22 H SER 6 H SER 6 -29.192 -10.726 -6.350
23 HA SER 6 HA SER 6 -30.291 -10.115 -3.743
24 HB2 SER 6 1HB SER 6 -31.266 -12.344 -3.397
25 HB3 SER 6 2HB SER 6 -32.062 -11.511 -4.732
26 HG SER 6 HG SER 6 -31.530 -13.152 -5.911
27 H GLY 7 H GLY 7 -28.926 -10.684 -2.140
28 HA2 GLY 7 1HA GLY 7 -27.297 -12.049 -1.091
29 HA3 GLY 7 2HA GLY 7 -26.876 -12.711 -2.664
30 H THR 8 H THR 8 -27.135 -9.328 -1.629
31 HA THR 8 HA THR 8 -24.770 -8.555 -2.958
32 HB THR 8 HB THR 8 -24.982 -6.423 -1.731
33 HG1 THR 8 HG1 THR 8 -25.928 -7.670 0.187
34 HG21 THR 8 3HG2 THR 8 -27.686 -6.375 -2.315
35 HG22 THR 8 1HG2 THR 8 -27.059 -7.659 -3.348
36 HG23 THR 8 2HG2 THR 8 -26.372 -6.038 -3.442
37 H GLY 9 H GLY 9 -22.708 -8.128 -2.221
38 HA2 GLY 9 1HA GLY 9 -22.062 -8.583 0.581
39 HA3 GLY 9 2HA GLY 9 -21.384 -9.738 -0.557
40 H GLU 10 H GLU 10 -20.732 -6.997 1.121
41 HA GLU 10 HA GLU 10 -19.447 -5.271 -0.614
42 HB2 GLU 10 1HB GLU 10 -18.808 -6.010 2.240
43 HB3 GLU 10 2HB GLU 10 -17.973 -4.724 1.380
44 HG2 GLU 10 1HG GLU 10 -19.847 -3.374 1.306
45 HG3 GLU 10 2HG GLU 10 -20.954 -4.723 1.551
46 H LYS 11 H LYS 11 -17.553 -5.247 -1.684
47 HA LYS 11 HA LYS 11 -16.112 -7.705 -1.979
48 HB2 LYS 11 1HB LYS 11 -14.820 -6.544 -3.652
49 HB3 LYS 11 2HB LYS 11 -16.516 -6.123 -3.854
50 HG2 LYS 11 1HG LYS 11 -16.157 -3.992 -2.779
51 HG3 LYS 11 2HG LYS 11 -14.476 -4.415 -2.443
52 HD2 LYS 11 1HD LYS 11 -14.177 -3.196 -4.349
53 HD3 LYS 11 2HD LYS 11 -14.435 -4.787 -5.068
54 HE2 LYS 11 1HE LYS 11 -16.606 -4.277 -5.720
55 HE3 LYS 11 2HE LYS 11 -16.749 -2.958 -4.559
56 HZ1 LYS 11 3HZ LYS 11 -14.644 -2.464 -6.399
57 HZ2 LYS 11 1HZ LYS 11 -16.012 -1.526 -6.062
58 HZ3 LYS 11 2HZ LYS 11 -16.093 -2.752 -7.224
59 H ARG 12 H ARG 12 -14.239 -8.321 -1.074
60 HA ARG 12 HA ARG 12 -13.169 -6.744 1.086
61 HB2 ARG 12 1HB ARG 12 -12.734 -9.498 0.026
62 HB3 ARG 12 2HB ARG 12 -11.474 -8.782 1.023
63 HG2 ARG 12 1HG ARG 12 -13.228 -8.353 2.762
64 HG3 ARG 12 2HG ARG 12 -14.332 -9.320 1.781
65 HD2 ARG 12 1HD ARG 12 -11.659 -10.376 2.642
66 HD3 ARG 12 2HD ARG 12 -13.071 -10.482 3.692
67 HE ARG 12 HE ARG 12 -13.510 -11.512 1.043
68 HH11 ARG 12 1HH1 ARG 12 -12.377 -12.240 4.254
69 HH12 ARG 12 2HH1 ARG 12 -12.665 -13.942 4.110
70 HH21 ARG 12 1HH2 ARG 12 -13.894 -13.751 0.842
71 HH22 ARG 12 2HH2 ARG 12 -13.527 -14.801 2.169
72 H TYR 13 H TYR 13 -11.797 -5.138 0.709
73 HA TYR 13 HA TYR 13 -10.265 -4.937 -1.692
74 HB2 TYR 13 1HB TYR 13 -9.772 -3.293 0.778
75 HB3 TYR 13 2HB TYR 13 -9.578 -2.830 -0.909
76 HD1 TYR 13 HD2 TYR 13 -12.056 -3.418 -2.180
77 HD2 TYR 13 HD1 TYR 13 -11.397 -2.000 1.777
78 HE1 TYR 13 HE2 TYR 13 -14.305 -2.423 -2.169
79 HE2 TYR 13 HE1 TYR 13 -13.645 -1.003 1.800
80 HH TYR 13 HH TYR 13 -15.576 -0.787 0.712
81 H LYS 14 H LYS 14 -8.704 -6.427 -1.966
82 HA LYS 14 HA LYS 14 -6.944 -7.129 0.247
83 HB2 LYS 14 1HB LYS 14 -7.898 -8.839 -1.358
84 HB3 LYS 14 2HB LYS 14 -6.845 -8.157 -2.590
85 HG2 LYS 14 1HG LYS 14 -4.963 -8.612 -0.856
86 HG3 LYS 14 2HG LYS 14 -6.138 -9.727 -0.154
87 HD2 LYS 14 1HD LYS 14 -4.961 -11.082 -1.626
88 HD3 LYS 14 2HD LYS 14 -6.377 -10.619 -2.573
89 HE2 LYS 14 1HE LYS 14 -4.995 -8.759 -3.540
90 HE3 LYS 14 2HE LYS 14 -3.596 -9.472 -2.739
91 HZ1 LYS 14 3HZ LYS 14 -4.228 -11.581 -3.973
92 HZ2 LYS 14 1HZ LYS 14 -3.562 -10.328 -4.893
93 HZ3 LYS 14 2HZ LYS 14 -5.230 -10.606 -4.926
94 H CYS 15 H CYS 15 -4.792 -6.646 0.365
95 HA CYS 15 HA CYS 15 -3.892 -4.380 -1.160
96 HB2 CYS 15 1HB CYS 15 -3.422 -5.001 1.344
97 HB3 CYS 15 2HB CYS 15 -2.103 -5.948 0.663
98 H ASN 16 H ASN 16 -3.296 -4.727 -3.209
99 HA ASN 16 HA ASN 16 -2.315 -7.117 -4.272
100 HB2 ASN 16 1HB ASN 16 -2.159 -4.257 -5.208
101 HB3 ASN 16 2HB ASN 16 -1.445 -5.571 -6.138
102 HD21 ASN 16 1HD2 ASN 16 -3.541 -3.861 -6.987
103 HD22 ASN 16 2HD2 ASN 16 -4.938 -4.842 -7.255
104 H GLU 17 H GLU 17 -0.790 -4.904 -2.240
105 HA GLU 17 HA GLU 17 1.894 -5.286 -3.208
106 HB2 GLU 17 1HB GLU 17 0.685 -3.944 -0.811
107 HB3 GLU 17 2HB GLU 17 2.418 -4.224 -0.892
108 HG2 GLU 17 1HG GLU 17 1.776 -1.974 -1.634
109 HG3 GLU 17 2HG GLU 17 2.590 -2.902 -2.893
110 H CYS 18 H CYS 18 0.488 -6.010 -0.012
111 HA CYS 18 HA CYS 18 2.361 -8.234 0.262
112 HB2 CYS 18 1HB CYS 18 1.450 -8.282 2.632
113 HB3 CYS 18 2HB CYS 18 2.325 -6.825 2.174
114 H GLY 19 H GLY 19 -1.132 -7.600 0.477
115 HA2 GLY 19 1HA GLY 19 -2.488 -9.322 -0.756
116 HA3 GLY 19 2HA GLY 19 -1.573 -10.505 0.166
117 H LYS 20 H LYS 20 -2.054 -7.902 2.137
118 HA LYS 20 HA LYS 20 -3.833 -9.274 3.844
119 HB2 LYS 20 1HB LYS 20 -2.669 -6.524 3.764
120 HB3 LYS 20 2HB LYS 20 -4.014 -6.838 4.854
121 HG2 LYS 20 1HG LYS 20 -2.600 -8.834 5.666
122 HG3 LYS 20 2HG LYS 20 -1.259 -7.999 4.879
123 HD2 LYS 20 1HD LYS 20 -1.125 -7.153 7.018
124 HD3 LYS 20 2HD LYS 20 -2.135 -5.938 6.231
125 HE2 LYS 20 1HE LYS 20 -3.454 -8.266 7.537
126 HE3 LYS 20 2HE LYS 20 -2.802 -6.985 8.558
127 HZ1 LYS 20 3HZ LYS 20 -4.782 -6.038 8.201
128 HZ2 LYS 20 1HZ LYS 20 -5.113 -6.965 6.825
129 HZ3 LYS 20 2HZ LYS 20 -4.141 -5.586 6.702
130 H VAL 21 H VAL 21 -5.759 -7.695 4.741
131 HA VAL 21 HA VAL 21 -7.342 -6.698 2.505
132 HB VAL 21 HB VAL 21 -9.336 -8.034 3.547
133 HG11 VAL 21 1HG1 VAL 21 -7.368 -9.579 1.881
134 HG12 VAL 21 2HG1 VAL 21 -9.131 -9.651 1.843
135 HG13 VAL 21 3HG1 VAL 21 -8.292 -8.221 1.241
136 HG21 VAL 21 3HG2 VAL 21 -6.928 -9.566 4.477
137 HG22 VAL 21 1HG2 VAL 21 -8.349 -9.074 5.398
138 HG23 VAL 21 2HG2 VAL 21 -8.479 -10.357 4.195
139 H PHE 22 H PHE 22 -8.974 -5.261 3.101
140 HA PHE 22 HA PHE 22 -9.232 -4.636 5.953
141 HB2 PHE 22 1HB PHE 22 -8.802 -2.503 3.858
142 HB3 PHE 22 2HB PHE 22 -8.893 -2.285 5.602
143 HD1 PHE 22 HD2 PHE 22 -6.892 -4.081 3.024
144 HD2 PHE 22 HD1 PHE 22 -6.940 -2.141 6.812
145 HE1 PHE 22 HE2 PHE 22 -4.448 -4.323 3.175
146 HE2 PHE 22 HE1 PHE 22 -4.496 -2.378 6.969
147 HZ PHE 22 HZ PHE 22 -3.247 -3.471 5.150
148 H SER 23 H SER 23 -11.302 -4.595 6.490
149 HA SER 23 HA SER 23 -13.446 -4.960 4.839
150 HB2 SER 23 1HB SER 23 -13.145 -3.798 7.569
151 HB3 SER 23 2HB SER 23 -14.705 -3.621 6.767
152 HG SER 23 HG SER 23 -14.930 -5.798 6.702
153 H ARG 24 H ARG 24 -11.984 -1.894 5.794
154 HA ARG 24 HA ARG 24 -13.800 -0.498 3.946
155 HB2 ARG 24 1HB ARG 24 -12.465 0.288 6.484
156 HB3 ARG 24 2HB ARG 24 -12.663 1.534 5.259
157 HG2 ARG 24 1HG ARG 24 -15.052 1.197 5.244
158 HG3 ARG 24 2HG ARG 24 -14.896 -0.148 6.376
159 HD2 ARG 24 1HD ARG 24 -15.454 1.552 7.811
160 HD3 ARG 24 2HD ARG 24 -13.694 1.648 7.859
161 HE ARG 24 HE ARG 24 -13.894 3.757 7.040
162 HH11 ARG 24 1HH1 ARG 24 -16.652 1.915 5.980
163 HH12 ARG 24 2HH1 ARG 24 -17.389 3.248 5.154
164 HH21 ARG 24 1HH2 ARG 24 -14.855 5.519 5.956
165 HH22 ARG 24 2HH2 ARG 24 -16.365 5.297 5.140
166 H ASN 25 H ASN 25 -12.999 0.736 2.297
167 HA ASN 25 HA ASN 25 -10.395 0.109 1.338
168 HB2 ASN 25 1HB ASN 25 -11.003 1.951 -0.379
169 HB3 ASN 25 2HB ASN 25 -11.966 0.477 -0.357
170 HD21 ASN 25 1HD2 ASN 25 -11.863 3.828 0.679
171 HD22 ASN 25 2HD2 ASN 25 -13.574 4.040 0.794
172 H SER 26 H SER 26 -11.833 2.930 2.890
173 HA SER 26 HA SER 26 -9.719 4.728 2.526
174 HB2 SER 26 1HB SER 26 -11.961 4.499 4.495
175 HB3 SER 26 2HB SER 26 -10.682 5.678 4.790
176 HG SER 26 HG SER 26 -12.729 6.090 3.330
177 H GLN 27 H GLN 27 -9.940 1.934 4.468
178 HA GLN 27 HA GLN 27 -7.821 2.785 6.281
179 HB2 GLN 27 1HB GLN 27 -9.502 0.284 6.131
180 HB3 GLN 27 2HB GLN 27 -8.172 0.478 7.265
181 HG2 GLN 27 1HG GLN 27 -9.494 2.695 7.857
182 HG3 GLN 27 2HG GLN 27 -10.846 1.751 7.234
183 HE21 GLN 27 1HE2 GLN 27 -11.850 1.561 9.209
184 HE22 GLN 27 2HE2 GLN 27 -11.223 0.587 10.490
185 H LEU 28 H LEU 28 -8.364 0.654 3.557
186 HA LEU 28 HA LEU 28 -5.883 -0.734 3.750
187 HB2 LEU 28 1HB LEU 28 -7.391 -1.924 2.513
188 HB3 LEU 28 2HB LEU 28 -8.054 -0.486 1.740
189 HG LEU 28 HG LEU 28 -5.848 -0.395 0.440
190 HD11 LEU 28 1HD1 LEU 28 -5.709 -3.323 1.036
191 HD12 LEU 28 2HD1 LEU 28 -4.851 -2.158 2.045
192 HD13 LEU 28 3HD1 LEU 28 -4.489 -2.266 0.323
193 HD21 LEU 28 3HD2 LEU 28 -7.291 -2.853 -0.344
194 HD22 LEU 28 1HD2 LEU 28 -6.892 -1.417 -1.288
195 HD23 LEU 28 2HD2 LEU 28 -8.258 -1.388 -0.172
196 H SER 29 H SER 29 -7.016 2.023 1.829
197 HA SER 29 HA SER 29 -4.754 2.418 0.265
198 HB2 SER 29 1HB SER 29 -6.677 3.676 -0.295
199 HB3 SER 29 2HB SER 29 -6.821 4.335 1.335
200 HG SER 29 HG SER 29 -5.149 5.683 0.952
201 H GLN 30 H GLN 30 -5.462 3.530 3.540
202 HA GLN 30 HA GLN 30 -3.185 5.177 3.832
203 HB2 GLN 30 1HB GLN 30 -4.968 3.797 5.834
204 HB3 GLN 30 2HB GLN 30 -3.630 4.832 6.316
205 HG2 GLN 30 1HG GLN 30 -4.631 6.739 5.344
206 HG3 GLN 30 2HG GLN 30 -5.836 5.763 4.504
207 HE21 GLN 30 1HE2 GLN 30 -7.109 7.533 5.674
208 HE22 GLN 30 2HE2 GLN 30 -7.726 7.110 7.231
209 H HIS 31 H HIS 31 -3.541 1.800 3.738
210 HA HIS 31 HA HIS 31 -1.102 1.292 5.257
211 HB2 HIS 31 1HB HIS 31 -2.672 -0.346 5.771
212 HB3 HIS 31 2HB HIS 31 -3.272 -0.433 4.118
213 HD1 HIS 31 HD1 HIS 31 -0.098 -1.322 6.019
214 HD2 HIS 31 HD2 HIS 31 -2.343 -2.578 2.757
215 HE1 HIS 31 HE1 HIS 31 1.022 -3.419 5.200
216 H GLN 32 H GLN 32 -2.379 0.690 1.988
217 HA GLN 32 HA GLN 32 -0.272 -0.489 0.758
218 HB2 GLN 32 1HB GLN 32 -2.167 1.621 -0.236
219 HB3 GLN 32 2HB GLN 32 -0.932 0.944 -1.289
220 HG2 GLN 32 1HG GLN 32 -1.850 -1.284 -0.956
221 HG3 GLN 32 2HG GLN 32 -3.073 -0.626 0.129
222 HE21 GLN 32 1HE2 GLN 32 -4.304 -1.886 -1.621
223 HE22 GLN 32 2HE2 GLN 32 -4.873 -0.946 -2.954
224 H LYS 33 H LYS 33 -0.585 2.954 1.495
225 HA LYS 33 HA LYS 33 1.622 3.949 0.160
226 HB2 LYS 33 1HB LYS 33 1.578 5.797 1.696
227 HB3 LYS 33 2HB LYS 33 -0.080 5.301 1.386
228 HG2 LYS 33 1HG LYS 33 0.021 3.985 3.522
229 HG3 LYS 33 2HG LYS 33 1.569 4.771 3.843
230 HD2 LYS 33 1HD LYS 33 -0.944 6.321 3.263
231 HD3 LYS 33 2HD LYS 33 -0.489 5.828 4.895
232 HE2 LYS 33 1HE LYS 33 1.656 7.018 4.619
233 HE3 LYS 33 2HE LYS 33 1.128 7.558 3.026
234 HZ1 LYS 33 3HZ LYS 33 0.735 9.280 4.628
235 HZ2 LYS 33 1HZ LYS 33 -0.136 8.229 5.628
236 HZ3 LYS 33 2HZ LYS 33 -0.758 8.670 4.119
237 H ILE 34 H ILE 34 1.462 2.308 3.277
238 HA ILE 34 HA ILE 34 4.014 2.768 4.233
239 HB ILE 34 HB ILE 34 3.757 0.916 5.638
240 HG12 ILE 34 1HG1 ILE 34 1.812 -0.779 4.910
241 HG13 ILE 34 2HG1 ILE 34 2.325 -0.255 3.310
242 HG21 ILE 34 1HG2 ILE 34 0.908 0.991 5.460
243 HG22 ILE 34 2HG2 ILE 34 1.968 1.761 6.640
244 HG23 ILE 34 3HG2 ILE 34 1.553 2.602 5.146
245 HD11 ILE 34 3HD1 ILE 34 4.038 -1.643 3.388
246 HD12 ILE 34 1HD1 ILE 34 4.633 -0.868 4.856
247 HD13 ILE 34 2HD1 ILE 34 3.490 -2.207 4.966
248 H HIS 35 H HIS 35 2.989 0.760 1.597
249 HA HIS 35 HA HIS 35 5.376 -0.809 1.440
250 HB2 HIS 35 1HB HIS 35 3.097 -0.321 -0.474
251 HB3 HIS 35 2HB HIS 35 4.474 -1.338 -0.888
252 HD1 HIS 35 HD1 HIS 35 4.888 -3.153 1.348
253 HD2 HIS 35 HD2 HIS 35 1.065 -1.903 0.305
254 HE1 HIS 35 HE1 HIS 35 3.331 -4.883 2.301
255 H THR 36 H THR 36 4.265 2.209 0.047
256 HA THR 36 HA THR 36 5.776 2.734 -2.078
257 HB THR 36 HB THR 36 4.379 4.420 -0.867
258 HG1 THR 36 HG1 THR 36 6.891 5.600 -1.347
259 HG21 THR 36 3HG2 THR 36 5.042 5.473 1.041
260 HG22 THR 36 1HG2 THR 36 6.757 5.325 0.658
261 HG23 THR 36 2HG2 THR 36 5.872 3.938 1.294
262 H GLY 37 H GLY 37 7.879 3.300 -2.616
263 HA2 GLY 37 1HA GLY 37 10.096 4.011 -1.643
264 HA3 GLY 37 2HA GLY 37 9.892 2.646 -0.555
265 H GLU 38 H GLU 38 10.567 3.631 -3.841
266 HA GLU 38 HA GLU 38 11.345 0.864 -4.481
267 HB2 GLU 38 1HB GLU 38 10.323 3.127 -6.148
268 HB3 GLU 38 2HB GLU 38 11.365 1.921 -6.892
269 HG2 GLU 38 1HG GLU 38 8.983 1.056 -5.319
270 HG3 GLU 38 2HG GLU 38 8.785 1.645 -6.968
271 H LYS 39 H LYS 39 13.061 2.354 -2.904
272 HA LYS 39 HA LYS 39 14.977 3.954 -3.850
273 HB2 LYS 39 1HB LYS 39 15.104 1.580 -2.061
274 HB3 LYS 39 2HB LYS 39 16.629 2.263 -2.607
275 HG2 LYS 39 1HG LYS 39 15.703 4.504 -1.792
276 HG3 LYS 39 2HG LYS 39 14.493 3.541 -0.940
277 HD2 LYS 39 1HD LYS 39 16.543 2.226 -0.042
278 HD3 LYS 39 2HD LYS 39 17.458 3.655 -0.530
279 HE2 LYS 39 1HE LYS 39 15.749 4.993 0.813
280 HE3 LYS 39 2HE LYS 39 15.248 3.447 1.496
281 HZ1 LYS 39 3HZ LYS 39 17.966 3.441 1.737
282 HZ2 LYS 39 1HZ LYS 39 16.857 3.760 2.975
283 HZ3 LYS 39 2HZ LYS 39 17.542 5.038 2.103
284 HA PRO 40 HA PRO 40 16.860 2.187 -7.411
285 HB2 PRO 40 1HB PRO 40 19.273 3.426 -7.308
286 HB3 PRO 40 2HB PRO 40 17.785 4.259 -7.773
287 HG2 PRO 40 1HG PRO 40 19.197 4.234 -5.133
288 HG3 PRO 40 2HG PRO 40 18.460 5.597 -5.995
289 HD2 PRO 40 1HD PRO 40 17.228 4.336 -3.941
290 HD3 PRO 40 2HD PRO 40 16.333 5.053 -5.296
291 H SER 41 H SER 41 17.909 0.339 -7.834
292 HA SER 41 HA SER 41 20.017 -0.558 -5.997
293 HB2 SER 41 1HB SER 41 19.085 -2.871 -6.108
294 HB3 SER 41 2HB SER 41 18.019 -1.732 -5.285
295 HG SER 41 HG SER 41 17.638 -3.128 -7.615
296 H GLY 42 H GLY 42 21.758 -0.506 -7.284
297 HA2 GLY 42 1HA GLY 42 22.142 -2.397 -9.316
298 HA3 GLY 42 2HA GLY 42 21.739 -0.865 -10.076
299 HA PRO 43 HA PRO 43 26.004 0.177 -9.917
300 HB2 PRO 43 1HB PRO 43 25.803 2.877 -10.121
301 HB3 PRO 43 2HB PRO 43 25.517 1.787 -11.483
302 HG2 PRO 43 1HG PRO 43 23.537 3.127 -9.682
303 HG3 PRO 43 2HG PRO 43 23.490 2.925 -11.443
304 HD2 PRO 43 1HD PRO 43 22.078 1.345 -9.757
305 HD3 PRO 43 2HD PRO 43 22.729 0.755 -11.300
306 H SER 44 H SER 44 27.562 1.498 -8.689
307 HA SER 44 HA SER 44 27.247 1.243 -5.938
308 HB2 SER 44 1HB SER 44 29.168 2.742 -7.678
309 HB3 SER 44 2HB SER 44 29.198 3.014 -5.936
310 HG SER 44 HG SER 44 29.844 0.985 -5.608
311 H SER 45 H SER 45 25.897 2.281 -4.642
312 HA SER 45 HA SER 45 25.696 5.182 -4.797
313 HB2 SER 45 1HB SER 45 23.850 4.325 -6.220
314 HB3 SER 45 2HB SER 45 23.231 3.424 -4.836
315 HG SER 45 HG SER 45 23.412 5.750 -3.870
316 H GLY 46 H GLY 46 26.319 5.736 -2.811
317 HA2 GLY 46 1HA GLY 46 25.888 6.077 -0.525
318 HA3 GLY 46 2HA GLY 46 24.822 4.680 -0.540
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -23.004 -26.660 -6.716
2 HA2 GLY 1 1HA GLY 1 -24.310 -24.963 -5.814
3 HA3 GLY 1 2HA GLY 1 -25.114 -26.349 -5.090
4 H SER 2 H SER 2 -25.607 -25.717 -3.082
5 HA SER 2 HA SER 2 -25.362 -25.081 -0.912
6 HB2 SER 2 1HB SER 2 -23.615 -26.797 -0.847
7 HB3 SER 2 2HB SER 2 -22.434 -25.637 -1.453
8 HG SER 2 HG SER 2 -23.851 -24.930 0.836
9 H SER 3 H SER 3 -25.549 -23.042 -2.771
10 HA SER 3 HA SER 3 -24.525 -20.844 -1.286
11 HB2 SER 3 1HB SER 3 -23.078 -21.709 -3.744
12 HB3 SER 3 2HB SER 3 -23.315 -19.978 -3.503
13 HG SER 3 HG SER 3 -21.990 -21.814 -1.802
14 H GLY 4 H GLY 4 -25.268 -18.784 -2.106
15 HA2 GLY 4 1HA GLY 4 -27.602 -19.114 -3.881
16 HA3 GLY 4 2HA GLY 4 -27.475 -17.907 -2.609
17 H SER 5 H SER 5 -28.121 -16.437 -4.359
18 HA SER 5 HA SER 5 -25.889 -15.755 -6.152
19 HB2 SER 5 1HB SER 5 -28.804 -14.961 -6.366
20 HB3 SER 5 2HB SER 5 -27.539 -14.594 -7.539
21 HG SER 5 HG SER 5 -27.325 -16.819 -7.918
22 H SER 6 H SER 6 -28.285 -14.355 -3.950
23 HA SER 6 HA SER 6 -26.911 -11.786 -4.009
24 HB2 SER 6 1HB SER 6 -29.521 -12.758 -2.898
25 HB3 SER 6 2HB SER 6 -28.818 -11.261 -2.287
26 HG SER 6 HG SER 6 -29.915 -11.831 -4.769
27 H GLY 7 H GLY 7 -25.340 -13.829 -2.974
28 HA2 GLY 7 1HA GLY 7 -24.904 -12.805 -0.279
29 HA3 GLY 7 2HA GLY 7 -25.222 -14.528 -0.413
30 H THR 8 H THR 8 -23.788 -15.719 -1.978
31 HA THR 8 HA THR 8 -21.164 -15.645 -1.219
32 HB THR 8 HB THR 8 -22.186 -16.512 -3.931
33 HG1 THR 8 HG1 THR 8 -21.652 -18.187 -1.710
34 HG21 THR 8 3HG2 THR 8 -19.744 -16.246 -3.869
35 HG22 THR 8 1HG2 THR 8 -20.208 -17.942 -4.002
36 HG23 THR 8 2HG2 THR 8 -19.669 -17.293 -2.453
37 H GLY 9 H GLY 9 -19.752 -14.026 -1.327
38 HA2 GLY 9 1HA GLY 9 -18.266 -12.961 -3.078
39 HA3 GLY 9 2HA GLY 9 -19.764 -12.325 -3.741
40 H GLU 10 H GLU 10 -17.573 -12.213 -0.989
41 HA GLU 10 HA GLU 10 -18.884 -9.770 -0.038
42 HB2 GLU 10 1HB GLU 10 -18.203 -11.798 1.462
43 HB3 GLU 10 2HB GLU 10 -16.593 -11.099 1.366
44 HG2 GLU 10 1HG GLU 10 -19.069 -9.774 2.443
45 HG3 GLU 10 2HG GLU 10 -17.687 -10.353 3.371
46 H LYS 11 H LYS 11 -18.144 -7.942 -0.875
47 HA LYS 11 HA LYS 11 -15.736 -7.636 -2.265
48 HB2 LYS 11 1HB LYS 11 -17.859 -6.151 -2.249
49 HB3 LYS 11 2HB LYS 11 -17.104 -5.346 -0.879
50 HG2 LYS 11 1HG LYS 11 -16.478 -4.042 -2.689
51 HG3 LYS 11 2HG LYS 11 -15.069 -5.073 -2.423
52 HD2 LYS 11 1HD LYS 11 -15.432 -5.092 -4.752
53 HD3 LYS 11 2HD LYS 11 -16.068 -6.631 -4.165
54 HE2 LYS 11 1HE LYS 11 -18.304 -5.873 -4.332
55 HE3 LYS 11 2HE LYS 11 -17.797 -4.200 -4.555
56 HZ1 LYS 11 3HZ LYS 11 -17.855 -4.551 -6.726
57 HZ2 LYS 11 1HZ LYS 11 -18.220 -6.188 -6.507
58 HZ3 LYS 11 2HZ LYS 11 -16.608 -5.683 -6.577
59 H ARG 12 H ARG 12 -13.831 -8.064 -1.321
60 HA ARG 12 HA ARG 12 -13.200 -6.624 1.171
61 HB2 ARG 12 1HB ARG 12 -12.411 -9.422 0.358
62 HB3 ARG 12 2HB ARG 12 -11.631 -8.547 1.668
63 HG2 ARG 12 1HG ARG 12 -13.785 -8.381 2.827
64 HG3 ARG 12 2HG ARG 12 -14.545 -9.291 1.520
65 HD2 ARG 12 1HD ARG 12 -12.905 -11.138 2.000
66 HD3 ARG 12 2HD ARG 12 -12.428 -10.240 3.440
67 HE ARG 12 HE ARG 12 -14.817 -11.786 3.077
68 HH11 ARG 12 1HH1 ARG 12 -13.378 -9.127 4.803
69 HH12 ARG 12 2HH1 ARG 12 -14.458 -9.249 6.153
70 HH21 ARG 12 1HH2 ARG 12 -16.245 -11.956 4.848
71 HH22 ARG 12 2HH2 ARG 12 -16.087 -10.859 6.178
72 H TYR 13 H TYR 13 -11.854 -5.032 0.647
73 HA TYR 13 HA TYR 13 -10.220 -5.017 -1.663
74 HB2 TYR 13 1HB TYR 13 -9.699 -3.270 0.724
75 HB3 TYR 13 2HB TYR 13 -9.517 -2.890 -0.985
76 HD1 TYR 13 HD2 TYR 13 -11.970 -3.384 -2.249
77 HD2 TYR 13 HD1 TYR 13 -11.338 -2.009 1.728
78 HE1 TYR 13 HE2 TYR 13 -14.200 -2.347 -2.259
79 HE2 TYR 13 HE1 TYR 13 -13.567 -0.969 1.729
80 HH TYR 13 HH TYR 13 -15.745 -1.291 -1.053
81 H LYS 14 H LYS 14 -8.692 -6.557 -1.837
82 HA LYS 14 HA LYS 14 -6.968 -7.157 0.441
83 HB2 LYS 14 1HB LYS 14 -7.732 -9.110 -0.662
84 HB3 LYS 14 2HB LYS 14 -7.373 -8.447 -2.251
85 HG2 LYS 14 1HG LYS 14 -5.122 -8.810 -0.350
86 HG3 LYS 14 2HG LYS 14 -5.820 -10.244 -1.107
87 HD2 LYS 14 1HD LYS 14 -5.581 -8.747 -3.285
88 HD3 LYS 14 2HD LYS 14 -4.309 -7.991 -2.322
89 HE2 LYS 14 1HE LYS 14 -3.090 -9.638 -3.321
90 HE3 LYS 14 2HE LYS 14 -3.638 -10.514 -1.893
91 HZ1 LYS 14 3HZ LYS 14 -5.352 -10.599 -4.254
92 HZ2 LYS 14 1HZ LYS 14 -5.039 -11.797 -3.101
93 HZ3 LYS 14 2HZ LYS 14 -3.909 -11.480 -4.319
94 H CYS 15 H CYS 15 -5.032 -6.266 0.684
95 HA CYS 15 HA CYS 15 -4.002 -4.308 -1.021
96 HB2 CYS 15 1HB CYS 15 -3.424 -4.544 1.384
97 HB3 CYS 15 2HB CYS 15 -2.471 -5.971 0.990
98 H ASN 16 H ASN 16 -3.232 -4.558 -3.004
99 HA ASN 16 HA ASN 16 -2.268 -7.101 -3.944
100 HB2 ASN 16 1HB ASN 16 -3.596 -5.292 -5.258
101 HB3 ASN 16 2HB ASN 16 -2.024 -4.530 -5.480
102 HD21 ASN 16 1HD2 ASN 16 -3.223 -7.872 -5.551
103 HD22 ASN 16 2HD2 ASN 16 -2.549 -8.258 -7.095
104 H GLU 17 H GLU 17 -0.833 -5.132 -1.942
105 HA GLU 17 HA GLU 17 1.765 -5.019 -3.292
106 HB2 GLU 17 1HB GLU 17 1.143 -3.901 -0.567
107 HB3 GLU 17 2HB GLU 17 2.443 -3.449 -1.660
108 HG2 GLU 17 1HG GLU 17 -0.436 -3.019 -2.370
109 HG3 GLU 17 2HG GLU 17 0.479 -1.847 -1.423
110 H CYS 18 H CYS 18 0.190 -6.323 -0.410
111 HA CYS 18 HA CYS 18 2.498 -8.122 -0.061
112 HB2 CYS 18 1HB CYS 18 1.847 -8.144 2.395
113 HB3 CYS 18 2HB CYS 18 2.568 -6.651 1.801
114 H GLY 19 H GLY 19 -0.992 -7.713 0.442
115 HA2 GLY 19 1HA GLY 19 -2.264 -9.643 -0.614
116 HA3 GLY 19 2HA GLY 19 -1.257 -10.653 0.412
117 H LYS 20 H LYS 20 -1.935 -7.807 2.007
118 HA LYS 20 HA LYS 20 -3.599 -9.107 3.916
119 HB2 LYS 20 1HB LYS 20 -3.019 -6.155 3.614
120 HB3 LYS 20 2HB LYS 20 -3.661 -6.947 5.046
121 HG2 LYS 20 1HG LYS 20 -1.062 -7.903 3.980
122 HG3 LYS 20 2HG LYS 20 -1.103 -6.344 4.808
123 HD2 LYS 20 1HD LYS 20 -0.734 -7.693 6.606
124 HD3 LYS 20 2HD LYS 20 -2.498 -7.754 6.576
125 HE2 LYS 20 1HE LYS 20 -2.058 -9.986 6.692
126 HE3 LYS 20 2HE LYS 20 -2.027 -9.785 4.940
127 HZ1 LYS 20 3HZ LYS 20 0.439 -9.524 6.541
128 HZ2 LYS 20 1HZ LYS 20 0.277 -9.868 4.893
129 HZ3 LYS 20 2HZ LYS 20 -0.117 -11.043 6.044
130 H VAL 21 H VAL 21 -5.615 -7.714 4.697
131 HA VAL 21 HA VAL 21 -7.230 -6.815 2.443
132 HB VAL 21 HB VAL 21 -9.142 -8.289 3.483
133 HG11 VAL 21 1HG1 VAL 21 -8.674 -8.577 1.225
134 HG12 VAL 21 2HG1 VAL 21 -7.019 -9.105 1.534
135 HG13 VAL 21 3HG1 VAL 21 -8.371 -10.177 1.902
136 HG21 VAL 21 3HG2 VAL 21 -6.627 -9.714 4.312
137 HG22 VAL 21 1HG2 VAL 21 -8.017 -9.277 5.305
138 HG23 VAL 21 2HG2 VAL 21 -8.164 -10.551 4.095
139 H PHE 22 H PHE 22 -9.117 -5.642 3.066
140 HA PHE 22 HA PHE 22 -9.417 -5.012 5.899
141 HB2 PHE 22 1HB PHE 22 -9.114 -2.796 3.873
142 HB3 PHE 22 2HB PHE 22 -9.181 -2.656 5.627
143 HD1 PHE 22 HD2 PHE 22 -7.143 -4.442 3.057
144 HD2 PHE 22 HD1 PHE 22 -7.202 -2.218 6.686
145 HE1 PHE 22 HE2 PHE 22 -4.686 -4.540 3.153
146 HE2 PHE 22 HE1 PHE 22 -4.746 -2.311 6.787
147 HZ PHE 22 HZ PHE 22 -3.484 -3.474 5.020
148 H SER 23 H SER 23 -11.351 -3.592 6.272
149 HA SER 23 HA SER 23 -13.543 -4.589 4.653
150 HB2 SER 23 1HB SER 23 -14.986 -3.795 6.399
151 HB3 SER 23 2HB SER 23 -13.597 -4.554 7.176
152 HG SER 23 HG SER 23 -14.434 -1.950 7.240
153 H ARG 24 H ARG 24 -12.254 -1.435 5.662
154 HA ARG 24 HA ARG 24 -13.858 -0.174 3.540
155 HB2 ARG 24 1HB ARG 24 -12.496 1.204 5.856
156 HB3 ARG 24 2HB ARG 24 -13.680 1.890 4.752
157 HG2 ARG 24 1HG ARG 24 -15.167 -0.081 5.704
158 HG3 ARG 24 2HG ARG 24 -14.065 0.088 7.072
159 HD2 ARG 24 1HD ARG 24 -14.585 2.545 7.056
160 HD3 ARG 24 2HD ARG 24 -15.842 2.200 5.868
161 HE ARG 24 HE ARG 24 -15.999 0.668 8.318
162 HH11 ARG 24 1HH1 ARG 24 -17.006 3.519 6.591
163 HH12 ARG 24 2HH1 ARG 24 -18.424 3.762 7.557
164 HH21 ARG 24 1HH2 ARG 24 -17.863 0.978 9.596
165 HH22 ARG 24 2HH2 ARG 24 -18.910 2.316 9.266
166 H ASN 25 H ASN 25 -12.890 0.851 1.883
167 HA ASN 25 HA ASN 25 -10.215 0.354 1.248
168 HB2 ASN 25 1HB ASN 25 -10.532 1.897 -0.612
169 HB3 ASN 25 2HB ASN 25 -11.961 0.884 -0.422
170 HD21 ASN 25 1HD2 ASN 25 -13.887 1.808 -0.005
171 HD22 ASN 25 2HD2 ASN 25 -14.136 3.511 0.149
172 H SER 26 H SER 26 -11.699 2.947 3.028
173 HA SER 26 HA SER 26 -9.603 4.832 2.845
174 HB2 SER 26 1HB SER 26 -11.734 5.611 3.584
175 HB3 SER 26 2HB SER 26 -11.793 4.422 4.885
176 HG SER 26 HG SER 26 -10.093 6.680 4.671
177 H GLN 27 H GLN 27 -9.895 1.889 4.549
178 HA GLN 27 HA GLN 27 -7.813 2.605 6.471
179 HB2 GLN 27 1HB GLN 27 -9.739 0.325 6.221
180 HB3 GLN 27 2HB GLN 27 -8.286 0.135 7.194
181 HG2 GLN 27 1HG GLN 27 -8.938 2.028 8.570
182 HG3 GLN 27 2HG GLN 27 -10.376 2.266 7.578
183 HE21 GLN 27 1HE2 GLN 27 -11.969 1.834 8.972
184 HE22 GLN 27 2HE2 GLN 27 -12.164 0.342 9.820
185 H LEU 28 H LEU 28 -8.362 0.658 3.626
186 HA LEU 28 HA LEU 28 -5.898 -0.799 3.829
187 HB2 LEU 28 1HB LEU 28 -7.471 -1.972 2.631
188 HB3 LEU 28 2HB LEU 28 -8.069 -0.533 1.808
189 HG LEU 28 HG LEU 28 -5.825 -0.561 0.555
190 HD11 LEU 28 1HD1 LEU 28 -4.699 -2.168 2.007
191 HD12 LEU 28 2HD1 LEU 28 -4.782 -2.753 0.346
192 HD13 LEU 28 3HD1 LEU 28 -5.879 -3.402 1.564
193 HD21 LEU 28 3HD2 LEU 28 -8.296 -1.541 -0.029
194 HD22 LEU 28 1HD2 LEU 28 -7.282 -2.960 -0.290
195 HD23 LEU 28 2HD2 LEU 28 -6.948 -1.465 -1.164
196 H SER 29 H SER 29 -7.064 1.920 1.867
197 HA SER 29 HA SER 29 -4.857 2.330 0.264
198 HB2 SER 29 1HB SER 29 -7.007 4.088 1.335
199 HB3 SER 29 2HB SER 29 -5.603 4.875 0.614
200 HG SER 29 HG SER 29 -5.979 3.592 -1.265
201 H GLN 30 H GLN 30 -5.433 3.515 3.553
202 HA GLN 30 HA GLN 30 -3.088 5.058 3.769
203 HB2 GLN 30 1HB GLN 30 -4.872 3.759 5.819
204 HB3 GLN 30 2HB GLN 30 -3.463 4.707 6.276
205 HG2 GLN 30 1HG GLN 30 -5.869 5.666 4.746
206 HG3 GLN 30 2HG GLN 30 -5.423 6.080 6.401
207 HE21 GLN 30 1HE2 GLN 30 -3.593 7.409 6.746
208 HE22 GLN 30 2HE2 GLN 30 -3.017 8.465 5.506
209 H HIS 31 H HIS 31 -3.583 1.683 3.766
210 HA HIS 31 HA HIS 31 -1.086 1.119 5.165
211 HB2 HIS 31 1HB HIS 31 -2.740 -0.415 5.795
212 HB3 HIS 31 2HB HIS 31 -3.349 -0.577 4.151
213 HD1 HIS 31 HD1 HIS 31 -0.297 -1.531 6.194
214 HD2 HIS 31 HD2 HIS 31 -2.373 -2.726 2.799
215 HE1 HIS 31 HE1 HIS 31 0.793 -3.675 5.459
216 H GLN 32 H GLN 32 -2.530 0.778 1.953
217 HA GLN 32 HA GLN 32 -0.450 -0.578 0.691
218 HB2 GLN 32 1HB GLN 32 -2.509 1.366 -0.326
219 HB3 GLN 32 2HB GLN 32 -1.326 0.633 -1.401
220 HG2 GLN 32 1HG GLN 32 -2.161 -1.604 -0.468
221 HG3 GLN 32 2HG GLN 32 -3.536 -0.678 0.133
222 HE21 GLN 32 1HE2 GLN 32 -5.102 -0.046 -1.254
223 HE22 GLN 32 2HE2 GLN 32 -5.123 -0.437 -2.936
224 H LYS 33 H LYS 33 -0.570 2.619 1.881
225 HA LYS 33 HA LYS 33 1.464 3.677 0.130
226 HB2 LYS 33 1HB LYS 33 1.393 5.633 1.695
227 HB3 LYS 33 2HB LYS 33 -0.155 5.232 0.963
228 HG2 LYS 33 1HG LYS 33 -0.986 4.318 2.958
229 HG3 LYS 33 2HG LYS 33 0.620 4.240 3.686
230 HD2 LYS 33 1HD LYS 33 -0.517 6.080 4.683
231 HD3 LYS 33 2HD LYS 33 0.685 6.748 3.577
232 HE2 LYS 33 1HE LYS 33 -2.056 6.252 2.538
233 HE3 LYS 33 2HE LYS 33 -1.816 7.620 3.625
234 HZ1 LYS 33 3HZ LYS 33 -0.406 8.659 2.142
235 HZ2 LYS 33 1HZ LYS 33 -1.550 7.966 1.105
236 HZ3 LYS 33 2HZ LYS 33 -0.038 7.235 1.307
237 H ILE 34 H ILE 34 1.378 1.833 2.996
238 HA ILE 34 HA ILE 34 3.790 2.683 4.204
239 HB ILE 34 HB ILE 34 3.654 0.778 5.584
240 HG12 ILE 34 1HG1 ILE 34 1.795 -0.995 4.793
241 HG13 ILE 34 2HG1 ILE 34 2.339 -0.437 3.215
242 HG21 ILE 34 1HG2 ILE 34 1.233 2.217 4.918
243 HG22 ILE 34 2HG2 ILE 34 0.886 0.620 5.580
244 HG23 ILE 34 3HG2 ILE 34 1.875 1.758 6.495
245 HD11 ILE 34 3HD1 ILE 34 3.557 -2.407 3.864
246 HD12 ILE 34 1HD1 ILE 34 4.644 -1.019 3.835
247 HD13 ILE 34 2HD1 ILE 34 4.050 -1.642 5.374
248 H HIS 35 H HIS 35 3.145 0.820 1.413
249 HA HIS 35 HA HIS 35 5.677 -0.583 1.428
250 HB2 HIS 35 1HB HIS 35 3.565 -0.350 -0.726
251 HB3 HIS 35 2HB HIS 35 4.964 -1.419 -0.784
252 HD1 HIS 35 HD1 HIS 35 5.005 -3.327 1.123
253 HD2 HIS 35 HD2 HIS 35 1.375 -1.401 0.510
254 HE1 HIS 35 HE1 HIS 35 3.272 -4.807 2.185
255 H THR 36 H THR 36 5.551 2.398 1.431
256 HA THR 36 HA THR 36 6.763 3.037 -1.156
257 HB THR 36 HB THR 36 6.737 5.411 -0.228
258 HG1 THR 36 HG1 THR 36 6.345 5.359 1.876
259 HG21 THR 36 3HG2 THR 36 4.884 4.032 -1.629
260 HG22 THR 36 1HG2 THR 36 4.731 5.741 -1.222
261 HG23 THR 36 2HG2 THR 36 3.924 4.523 -0.234
262 H GLY 37 H GLY 37 7.455 3.854 2.256
263 HA2 GLY 37 1HA GLY 37 10.004 2.804 2.418
264 HA3 GLY 37 2HA GLY 37 10.202 4.405 1.722
265 H GLU 38 H GLU 38 7.845 3.370 4.150
266 HA GLU 38 HA GLU 38 8.770 5.517 5.890
267 HB2 GLU 38 1HB GLU 38 6.302 4.987 5.311
268 HB3 GLU 38 2HB GLU 38 6.463 3.683 6.478
269 HG2 GLU 38 1HG GLU 38 5.486 5.605 7.537
270 HG3 GLU 38 2HG GLU 38 7.096 5.320 8.196
271 H LYS 39 H LYS 39 10.597 3.443 5.665
272 HA LYS 39 HA LYS 39 10.703 2.545 8.433
273 HB2 LYS 39 1HB LYS 39 11.320 0.230 7.730
274 HB3 LYS 39 2HB LYS 39 9.647 0.654 7.393
275 HG2 LYS 39 1HG LYS 39 10.192 -0.340 5.425
276 HG3 LYS 39 2HG LYS 39 10.655 1.321 5.047
277 HD2 LYS 39 1HD LYS 39 12.908 0.868 5.191
278 HD3 LYS 39 2HD LYS 39 12.670 -0.503 6.277
279 HE2 LYS 39 1HE LYS 39 12.177 -1.949 4.562
280 HE3 LYS 39 2HE LYS 39 11.593 -0.665 3.504
281 HZ1 LYS 39 3HZ LYS 39 13.710 -0.116 2.852
282 HZ2 LYS 39 1HZ LYS 39 13.862 -1.791 3.036
283 HZ3 LYS 39 2HZ LYS 39 14.438 -0.751 4.239
284 HA PRO 40 HA PRO 40 14.975 3.477 8.035
285 HB2 PRO 40 1HB PRO 40 16.056 1.751 9.831
286 HB3 PRO 40 2HB PRO 40 15.128 3.179 10.308
287 HG2 PRO 40 1HG PRO 40 14.249 0.323 10.125
288 HG3 PRO 40 2HG PRO 40 13.904 1.521 11.385
289 HD2 PRO 40 1HD PRO 40 12.123 0.894 9.445
290 HD3 PRO 40 2HD PRO 40 12.228 2.517 10.156
291 H SER 41 H SER 41 16.111 2.963 6.275
292 HA SER 41 HA SER 41 16.103 0.732 4.761
293 HB2 SER 41 1HB SER 41 17.330 2.615 3.978
294 HB3 SER 41 2HB SER 41 18.417 2.576 5.367
295 HG SER 41 HG SER 41 18.308 0.297 3.772
296 H GLY 42 H GLY 42 16.706 -1.333 4.926
297 HA2 GLY 42 1HA GLY 42 18.983 -2.255 6.308
298 HA3 GLY 42 2HA GLY 42 17.573 -2.457 7.338
299 HA PRO 43 HA PRO 43 16.811 -6.321 5.404
300 HB2 PRO 43 1HB PRO 43 14.139 -6.544 5.830
301 HB3 PRO 43 2HB PRO 43 15.335 -6.731 7.117
302 HG2 PRO 43 1HG PRO 43 13.660 -4.350 6.420
303 HG3 PRO 43 2HG PRO 43 14.036 -5.024 8.016
304 HD2 PRO 43 1HD PRO 43 15.315 -2.859 7.011
305 HD3 PRO 43 2HD PRO 43 16.111 -4.024 8.089
306 H SER 44 H SER 44 17.153 -6.081 3.222
307 HA SER 44 HA SER 44 15.021 -4.888 1.603
308 HB2 SER 44 1HB SER 44 17.888 -5.613 0.988
309 HB3 SER 44 2HB SER 44 16.740 -5.129 -0.260
310 HG SER 44 HG SER 44 17.664 -3.612 1.945
311 H SER 45 H SER 45 16.915 -7.863 1.927
312 HA SER 45 HA SER 45 15.755 -9.287 -0.188
313 HB2 SER 45 1HB SER 45 17.806 -9.853 1.337
314 HB3 SER 45 2HB SER 45 16.606 -10.670 2.336
315 HG SER 45 HG SER 45 17.784 -11.736 0.359
316 H GLY 46 H GLY 46 13.995 -10.626 -0.351
317 HA2 GLY 46 1HA GLY 46 12.398 -11.435 1.853
318 HA3 GLY 46 2HA GLY 46 11.691 -10.026 1.077
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -26.673 -9.646 -15.449
2 HA2 GLY 1 1HA GLY 1 -27.266 -8.525 -18.118
3 HA3 GLY 1 2HA GLY 1 -27.213 -7.518 -16.678
4 H SER 2 H SER 2 -25.317 -9.397 -18.943
5 HA SER 2 HA SER 2 -22.790 -8.873 -17.748
6 HB2 SER 2 1HB SER 2 -23.376 -9.568 -20.635
7 HB3 SER 2 2HB SER 2 -21.837 -9.760 -19.796
8 HG SER 2 HG SER 2 -23.765 -11.518 -19.974
9 H SER 3 H SER 3 -22.986 -6.584 -17.345
10 HA SER 3 HA SER 3 -21.645 -5.009 -19.258
11 HB2 SER 3 1HB SER 3 -23.450 -3.375 -19.758
12 HB3 SER 3 2HB SER 3 -23.777 -4.972 -20.432
13 HG SER 3 HG SER 3 -25.592 -4.009 -19.347
14 H GLY 4 H GLY 4 -20.365 -4.015 -17.839
15 HA2 GLY 4 1HA GLY 4 -19.844 -2.351 -16.291
16 HA3 GLY 4 2HA GLY 4 -21.550 -2.222 -15.893
17 H SER 5 H SER 5 -22.150 -4.813 -15.176
18 HA SER 5 HA SER 5 -20.256 -5.555 -13.080
19 HB2 SER 5 1HB SER 5 -21.638 -4.080 -11.837
20 HB3 SER 5 2HB SER 5 -23.106 -4.686 -12.604
21 HG SER 5 HG SER 5 -22.541 -5.452 -10.382
22 H SER 6 H SER 6 -19.852 -7.588 -13.697
23 HA SER 6 HA SER 6 -21.670 -9.283 -15.019
24 HB2 SER 6 1HB SER 6 -20.031 -11.043 -14.659
25 HB3 SER 6 2HB SER 6 -19.197 -9.550 -15.087
26 HG SER 6 HG SER 6 -19.263 -10.928 -12.665
27 H GLY 7 H GLY 7 -20.653 -9.127 -11.616
28 HA2 GLY 7 1HA GLY 7 -23.197 -9.975 -10.673
29 HA3 GLY 7 2HA GLY 7 -22.051 -11.307 -10.628
30 H THR 8 H THR 8 -23.317 -8.763 -8.908
31 HA THR 8 HA THR 8 -21.065 -7.894 -7.426
32 HB THR 8 HB THR 8 -23.091 -6.555 -7.472
33 HG1 THR 8 HG1 THR 8 -22.999 -7.391 -4.794
34 HG21 THR 8 3HG2 THR 8 -25.133 -7.236 -6.386
35 HG22 THR 8 1HG2 THR 8 -24.395 -8.746 -5.855
36 HG23 THR 8 2HG2 THR 8 -24.687 -8.463 -7.571
37 H GLY 9 H GLY 9 -19.948 -8.913 -5.898
38 HA2 GLY 9 1HA GLY 9 -21.283 -11.092 -4.416
39 HA3 GLY 9 2HA GLY 9 -19.644 -11.259 -5.030
40 H GLU 10 H GLU 10 -18.170 -11.073 -3.494
41 HA GLU 10 HA GLU 10 -18.794 -9.658 -1.037
42 HB2 GLU 10 1HB GLU 10 -16.853 -10.682 -0.118
43 HB3 GLU 10 2HB GLU 10 -17.658 -11.907 -1.088
44 HG2 GLU 10 1HG GLU 10 -15.357 -10.255 -2.091
45 HG3 GLU 10 2HG GLU 10 -15.164 -11.818 -1.299
46 H LYS 11 H LYS 11 -17.502 -7.992 -0.155
47 HA LYS 11 HA LYS 11 -15.912 -6.512 -2.148
48 HB2 LYS 11 1HB LYS 11 -17.950 -5.303 -1.770
49 HB3 LYS 11 2HB LYS 11 -17.785 -5.463 -0.026
50 HG2 LYS 11 1HG LYS 11 -15.801 -4.033 -0.084
51 HG3 LYS 11 2HG LYS 11 -15.980 -3.865 -1.832
52 HD2 LYS 11 1HD LYS 11 -18.112 -3.075 0.146
53 HD3 LYS 11 2HD LYS 11 -16.894 -1.958 -0.475
54 HE2 LYS 11 1HE LYS 11 -17.710 -2.725 -2.801
55 HE3 LYS 11 2HE LYS 11 -19.123 -3.330 -1.938
56 HZ1 LYS 11 3HZ LYS 11 -19.836 -1.243 -1.449
57 HZ2 LYS 11 1HZ LYS 11 -19.038 -0.904 -2.901
58 HZ3 LYS 11 2HZ LYS 11 -18.282 -0.576 -1.425
59 H ARG 12 H ARG 12 -13.965 -7.432 -1.429
60 HA ARG 12 HA ARG 12 -13.035 -6.357 1.144
61 HB2 ARG 12 1HB ARG 12 -11.612 -8.515 1.259
62 HB3 ARG 12 2HB ARG 12 -13.306 -8.596 1.727
63 HG2 ARG 12 1HG ARG 12 -13.892 -9.854 -0.079
64 HG3 ARG 12 2HG ARG 12 -12.614 -9.188 -1.097
65 HD2 ARG 12 1HD ARG 12 -10.955 -10.512 -0.005
66 HD3 ARG 12 2HD ARG 12 -12.102 -11.026 1.232
67 HE ARG 12 HE ARG 12 -13.231 -11.910 -1.061
68 HH11 ARG 12 1HH1 ARG 12 -10.058 -12.253 0.330
69 HH12 ARG 12 2HH1 ARG 12 -9.770 -13.805 -0.384
70 HH21 ARG 12 1HH2 ARG 12 -12.864 -13.953 -2.007
71 HH22 ARG 12 2HH2 ARG 12 -11.366 -14.771 -1.714
72 H TYR 13 H TYR 13 -11.582 -4.867 0.590
73 HA TYR 13 HA TYR 13 -10.077 -4.953 -1.825
74 HB2 TYR 13 1HB TYR 13 -9.463 -3.239 0.580
75 HB3 TYR 13 2HB TYR 13 -9.096 -2.905 -1.109
76 HD1 TYR 13 HD2 TYR 13 -11.227 -2.789 -2.683
77 HD2 TYR 13 HD1 TYR 13 -11.290 -2.194 1.530
78 HE1 TYR 13 HE2 TYR 13 -13.333 -1.537 -2.897
79 HE2 TYR 13 HE1 TYR 13 -13.397 -0.941 1.327
80 HH TYR 13 HH TYR 13 -15.076 -0.372 -0.048
81 H LYS 14 H LYS 14 -8.400 -6.225 -2.198
82 HA LYS 14 HA LYS 14 -6.789 -7.183 0.055
83 HB2 LYS 14 1HB LYS 14 -7.821 -8.781 -1.631
84 HB3 LYS 14 2HB LYS 14 -6.673 -8.146 -2.802
85 HG2 LYS 14 1HG LYS 14 -4.853 -8.806 -1.171
86 HG3 LYS 14 2HG LYS 14 -6.101 -9.693 -0.293
87 HD2 LYS 14 1HD LYS 14 -6.434 -11.196 -2.039
88 HD3 LYS 14 2HD LYS 14 -5.708 -10.118 -3.233
89 HE2 LYS 14 1HE LYS 14 -4.077 -11.744 -2.923
90 HE3 LYS 14 2HE LYS 14 -3.541 -10.431 -1.875
91 HZ1 LYS 14 3HZ LYS 14 -3.349 -12.270 -0.525
92 HZ2 LYS 14 1HZ LYS 14 -4.737 -13.019 -1.138
93 HZ3 LYS 14 2HZ LYS 14 -4.881 -11.698 -0.091
94 H CYS 15 H CYS 15 -4.790 -6.464 0.402
95 HA CYS 15 HA CYS 15 -3.694 -4.370 -1.182
96 HB2 CYS 15 1HB CYS 15 -3.358 -4.616 1.285
97 HB3 CYS 15 2HB CYS 15 -2.313 -5.995 0.962
98 H ASN 16 H ASN 16 -3.146 -4.933 -3.227
99 HA ASN 16 HA ASN 16 -2.066 -7.350 -4.080
100 HB2 ASN 16 1HB ASN 16 -3.005 -5.400 -5.473
101 HB3 ASN 16 2HB ASN 16 -1.384 -4.717 -5.376
102 HD21 ASN 16 1HD2 ASN 16 -3.320 -6.328 -7.349
103 HD22 ASN 16 2HD2 ASN 16 -2.177 -7.286 -8.222
104 H GLU 17 H GLU 17 -0.633 -4.947 -2.189
105 HA GLU 17 HA GLU 17 2.081 -5.346 -3.043
106 HB2 GLU 17 1HB GLU 17 1.208 -4.159 -0.415
107 HB3 GLU 17 2HB GLU 17 2.694 -3.855 -1.303
108 HG2 GLU 17 1HG GLU 17 0.041 -3.148 -2.485
109 HG3 GLU 17 2HG GLU 17 0.831 -2.079 -1.326
110 H CYS 18 H CYS 18 0.511 -5.976 0.099
111 HA CYS 18 HA CYS 18 2.456 -8.105 0.588
112 HB2 CYS 18 1HB CYS 18 1.587 -8.042 2.915
113 HB3 CYS 18 2HB CYS 18 2.215 -6.488 2.376
114 H GLY 19 H GLY 19 -1.018 -7.554 0.317
115 HA2 GLY 19 1HA GLY 19 -2.345 -9.310 -0.731
116 HA3 GLY 19 2HA GLY 19 -1.366 -10.481 0.140
117 H LYS 20 H LYS 20 -2.142 -7.758 1.998
118 HA LYS 20 HA LYS 20 -3.783 -9.319 3.756
119 HB2 LYS 20 1HB LYS 20 -2.787 -6.487 3.757
120 HB3 LYS 20 2HB LYS 20 -4.008 -7.001 4.914
121 HG2 LYS 20 1HG LYS 20 -2.257 -8.946 5.330
122 HG3 LYS 20 2HG LYS 20 -1.138 -7.719 4.731
123 HD2 LYS 20 1HD LYS 20 -1.106 -7.199 6.953
124 HD3 LYS 20 2HD LYS 20 -2.468 -6.199 6.447
125 HE2 LYS 20 1HE LYS 20 -4.041 -7.728 7.296
126 HE3 LYS 20 2HE LYS 20 -2.839 -9.010 7.437
127 HZ1 LYS 20 3HZ LYS 20 -2.270 -6.623 8.971
128 HZ2 LYS 20 1HZ LYS 20 -2.141 -8.252 9.411
129 HZ3 LYS 20 2HZ LYS 20 -3.642 -7.476 9.472
130 H VAL 21 H VAL 21 -5.794 -7.994 4.688
131 HA VAL 21 HA VAL 21 -7.395 -6.920 2.484
132 HB VAL 21 HB VAL 21 -9.345 -8.332 3.475
133 HG11 VAL 21 1HG1 VAL 21 -8.847 -8.713 1.248
134 HG12 VAL 21 2HG1 VAL 21 -7.200 -9.237 1.599
135 HG13 VAL 21 3HG1 VAL 21 -8.561 -10.296 1.970
136 HG21 VAL 21 3HG2 VAL 21 -8.347 -9.335 5.351
137 HG22 VAL 21 1HG2 VAL 21 -8.452 -10.623 4.150
138 HG23 VAL 21 2HG2 VAL 21 -6.914 -9.811 4.439
139 H PHE 22 H PHE 22 -9.083 -5.559 3.118
140 HA PHE 22 HA PHE 22 -9.295 -4.968 5.985
141 HB2 PHE 22 1HB PHE 22 -9.069 -2.829 3.863
142 HB3 PHE 22 2HB PHE 22 -9.144 -2.593 5.606
143 HD1 PHE 22 HD2 PHE 22 -7.073 -4.315 3.029
144 HD2 PHE 22 HD1 PHE 22 -7.183 -2.272 6.762
145 HE1 PHE 22 HE2 PHE 22 -4.616 -4.389 3.138
146 HE2 PHE 22 HE1 PHE 22 -4.726 -2.342 6.876
147 HZ PHE 22 HZ PHE 22 -3.440 -3.402 5.064
148 H SER 23 H SER 23 -11.221 -3.657 6.515
149 HA SER 23 HA SER 23 -13.521 -4.709 5.172
150 HB2 SER 23 1HB SER 23 -13.551 -4.413 7.592
151 HB3 SER 23 2HB SER 23 -13.288 -2.679 7.407
152 HG SER 23 HG SER 23 -15.319 -2.708 6.180
153 H ARG 24 H ARG 24 -12.205 -1.434 5.632
154 HA ARG 24 HA ARG 24 -13.840 -0.556 3.342
155 HB2 ARG 24 1HB ARG 24 -12.772 1.210 5.545
156 HB3 ARG 24 2HB ARG 24 -13.932 1.642 4.296
157 HG2 ARG 24 1HG ARG 24 -15.300 -0.338 5.404
158 HG3 ARG 24 2HG ARG 24 -14.319 0.109 6.801
159 HD2 ARG 24 1HD ARG 24 -16.504 1.281 6.703
160 HD3 ARG 24 2HD ARG 24 -15.117 2.370 6.711
161 HE ARG 24 HE ARG 24 -15.923 1.796 4.057
162 HH11 ARG 24 1HH1 ARG 24 -16.826 3.641 6.868
163 HH12 ARG 24 2HH1 ARG 24 -17.649 4.866 5.961
164 HH21 ARG 24 1HH2 ARG 24 -17.004 3.402 2.852
165 HH22 ARG 24 2HH2 ARG 24 -17.751 4.728 3.676
166 H ASN 25 H ASN 25 -12.895 0.827 1.812
167 HA ASN 25 HA ASN 25 -10.193 0.303 1.210
168 HB2 ASN 25 1HB ASN 25 -10.494 1.672 -0.695
169 HB3 ASN 25 2HB ASN 25 -12.071 0.945 -0.402
170 HD21 ASN 25 1HD2 ASN 25 -13.639 2.248 0.784
171 HD22 ASN 25 2HD2 ASN 25 -13.627 3.962 0.566
172 H SER 26 H SER 26 -11.777 2.914 2.910
173 HA SER 26 HA SER 26 -9.678 4.789 2.853
174 HB2 SER 26 1HB SER 26 -11.779 4.404 5.000
175 HB3 SER 26 2HB SER 26 -10.819 5.859 4.733
176 HG SER 26 HG SER 26 -12.247 4.893 2.556
177 H GLN 27 H GLN 27 -10.031 1.833 4.528
178 HA GLN 27 HA GLN 27 -8.027 2.543 6.534
179 HB2 GLN 27 1HB GLN 27 -9.947 0.272 6.198
180 HB3 GLN 27 2HB GLN 27 -8.524 0.056 7.209
181 HG2 GLN 27 1HG GLN 27 -9.348 2.301 8.289
182 HG3 GLN 27 2HG GLN 27 -10.898 1.795 7.619
183 HE21 GLN 27 1HE2 GLN 27 -12.021 0.202 8.592
184 HE22 GLN 27 2HE2 GLN 27 -11.501 -0.629 10.014
185 H LEU 28 H LEU 28 -8.342 0.916 3.530
186 HA LEU 28 HA LEU 28 -5.912 -0.636 3.858
187 HB2 LEU 28 1HB LEU 28 -7.458 -1.798 2.594
188 HB3 LEU 28 2HB LEU 28 -7.987 -0.355 1.730
189 HG LEU 28 HG LEU 28 -5.651 -0.425 0.636
190 HD11 LEU 28 1HD1 LEU 28 -4.660 -2.074 2.121
191 HD12 LEU 28 2HD1 LEU 28 -4.692 -2.671 0.462
192 HD13 LEU 28 3HD1 LEU 28 -5.869 -3.262 1.634
193 HD21 LEU 28 3HD2 LEU 28 -7.170 -2.763 -0.304
194 HD22 LEU 28 1HD2 LEU 28 -6.654 -1.316 -1.171
195 HD23 LEU 28 2HD2 LEU 28 -8.093 -1.267 -0.153
196 H SER 29 H SER 29 -7.048 2.131 1.955
197 HA SER 29 HA SER 29 -4.784 2.590 0.424
198 HB2 SER 29 1HB SER 29 -6.854 3.808 0.039
199 HB3 SER 29 2HB SER 29 -6.710 4.606 1.605
200 HG SER 29 HG SER 29 -4.989 4.893 -0.633
201 H GLN 30 H GLN 30 -5.475 3.535 3.748
202 HA GLN 30 HA GLN 30 -3.183 5.181 4.076
203 HB2 GLN 30 1HB GLN 30 -3.699 5.128 6.440
204 HB3 GLN 30 2HB GLN 30 -5.186 5.321 5.522
205 HG2 GLN 30 1HG GLN 30 -5.741 3.002 5.842
206 HG3 GLN 30 2HG GLN 30 -4.195 2.708 6.637
207 HE21 GLN 30 1HE2 GLN 30 -7.035 4.818 6.894
208 HE22 GLN 30 2HE2 GLN 30 -7.116 4.785 8.620
209 H HIS 31 H HIS 31 -3.602 1.816 3.919
210 HA HIS 31 HA HIS 31 -1.188 1.239 5.455
211 HB2 HIS 31 1HB HIS 31 -2.816 -0.359 5.938
212 HB3 HIS 31 2HB HIS 31 -3.374 -0.439 4.269
213 HD1 HIS 31 HD1 HIS 31 -0.458 -1.541 6.415
214 HD2 HIS 31 HD2 HIS 31 -2.251 -2.435 2.775
215 HE1 HIS 31 HE1 HIS 31 0.699 -3.616 5.587
216 H GLN 32 H GLN 32 -2.460 0.680 2.175
217 HA GLN 32 HA GLN 32 -0.286 -0.493 0.993
218 HB2 GLN 32 1HB GLN 32 -2.290 1.471 -0.095
219 HB3 GLN 32 2HB GLN 32 -1.043 0.766 -1.115
220 HG2 GLN 32 1HG GLN 32 -1.908 -1.493 -0.372
221 HG3 GLN 32 2HG GLN 32 -3.288 -0.630 0.305
222 HE21 GLN 32 1HE2 GLN 32 -4.771 -1.548 -1.068
223 HE22 GLN 32 2HE2 GLN 32 -4.842 -1.185 -2.756
224 H LYS 33 H LYS 33 -0.756 2.904 1.759
225 HA LYS 33 HA LYS 33 1.200 4.149 0.323
226 HB2 LYS 33 1HB LYS 33 1.341 5.794 2.096
227 HB3 LYS 33 2HB LYS 33 -0.330 5.280 1.905
228 HG2 LYS 33 1HG LYS 33 0.043 3.704 3.824
229 HG3 LYS 33 2HG LYS 33 1.598 4.501 4.076
230 HD2 LYS 33 1HD LYS 33 0.171 6.680 4.088
231 HD3 LYS 33 2HD LYS 33 -1.170 5.583 4.427
232 HE2 LYS 33 1HE LYS 33 -0.323 6.363 6.516
233 HE3 LYS 33 2HE LYS 33 0.163 4.677 6.338
234 HZ1 LYS 33 3HZ LYS 33 2.101 5.652 7.033
235 HZ2 LYS 33 1HZ LYS 33 1.811 7.106 6.218
236 HZ3 LYS 33 2HZ LYS 33 2.303 5.737 5.355
237 H ILE 34 H ILE 34 1.608 2.030 3.080
238 HA ILE 34 HA ILE 34 4.311 2.611 3.635
239 HB ILE 34 HB ILE 34 4.329 0.752 5.030
240 HG12 ILE 34 1HG1 ILE 34 2.140 -0.468 3.333
241 HG13 ILE 34 2HG1 ILE 34 3.840 -0.920 3.288
242 HG21 ILE 34 1HG2 ILE 34 1.974 2.327 4.931
243 HG22 ILE 34 2HG2 ILE 34 1.512 0.687 5.382
244 HG23 ILE 34 3HG2 ILE 34 2.720 1.554 6.329
245 HD11 ILE 34 3HD1 ILE 34 3.694 -1.667 5.611
246 HD12 ILE 34 1HD1 ILE 34 1.984 -1.235 5.634
247 HD13 ILE 34 2HD1 ILE 34 2.555 -2.519 4.568
248 H HIS 35 H HIS 35 2.767 0.431 1.354
249 HA HIS 35 HA HIS 35 5.255 -0.814 0.581
250 HB2 HIS 35 1HB HIS 35 2.511 -0.965 -0.686
251 HB3 HIS 35 2HB HIS 35 3.888 -1.980 -1.105
252 HD1 HIS 35 HD1 HIS 35 4.857 -3.321 1.178
253 HD2 HIS 35 HD2 HIS 35 0.863 -2.184 1.061
254 HE1 HIS 35 HE1 HIS 35 3.696 -4.767 2.877
255 H THR 36 H THR 36 3.498 1.988 -0.274
256 HA THR 36 HA THR 36 5.025 2.262 -2.777
257 HB THR 36 HB THR 36 2.450 2.411 -2.792
258 HG1 THR 36 HG1 THR 36 3.832 3.118 -4.518
259 HG21 THR 36 3HG2 THR 36 2.843 4.248 -0.813
260 HG22 THR 36 1HG2 THR 36 1.388 4.132 -1.802
261 HG23 THR 36 2HG2 THR 36 2.655 5.283 -2.228
262 H GLY 37 H GLY 37 5.603 4.579 -3.317
263 HA2 GLY 37 1HA GLY 37 5.796 6.766 -1.842
264 HA3 GLY 37 2HA GLY 37 6.925 5.730 -0.981
265 H GLU 38 H GLU 38 8.616 4.674 -2.430
266 HA GLU 38 HA GLU 38 10.400 6.397 -3.412
267 HB2 GLU 38 1HB GLU 38 11.214 4.611 -4.955
268 HB3 GLU 38 2HB GLU 38 10.924 4.057 -3.312
269 HG2 GLU 38 1HG GLU 38 9.044 2.847 -3.910
270 HG3 GLU 38 2HG GLU 38 8.808 3.761 -5.399
271 H LYS 39 H LYS 39 10.798 7.611 -5.195
272 HA LYS 39 HA LYS 39 8.831 7.508 -7.383
273 HB2 LYS 39 1HB LYS 39 9.200 10.058 -7.502
274 HB3 LYS 39 2HB LYS 39 8.143 9.429 -6.246
275 HG2 LYS 39 1HG LYS 39 9.381 10.881 -5.014
276 HG3 LYS 39 2HG LYS 39 10.378 9.434 -4.845
277 HD2 LYS 39 1HD LYS 39 11.551 10.336 -6.995
278 HD3 LYS 39 2HD LYS 39 10.840 11.876 -6.506
279 HE2 LYS 39 1HE LYS 39 12.425 10.198 -4.588
280 HE3 LYS 39 2HE LYS 39 13.213 11.322 -5.695
281 HZ1 LYS 39 3HZ LYS 39 12.831 12.384 -3.589
282 HZ2 LYS 39 1HZ LYS 39 11.182 12.009 -3.640
283 HZ3 LYS 39 2HZ LYS 39 11.835 13.103 -4.752
284 HA PRO 40 HA PRO 40 12.331 7.309 -10.042
285 HB2 PRO 40 1HB PRO 40 11.211 8.260 -12.324
286 HB3 PRO 40 2HB PRO 40 10.864 6.650 -11.683
287 HG2 PRO 40 1HG PRO 40 9.264 9.170 -11.445
288 HG3 PRO 40 2HG PRO 40 8.709 7.520 -11.784
289 HD2 PRO 40 1HD PRO 40 8.523 8.644 -9.327
290 HD3 PRO 40 2HD PRO 40 8.784 6.904 -9.564
291 H SER 41 H SER 41 10.633 10.292 -9.487
292 HA SER 41 HA SER 41 12.510 11.949 -10.898
293 HB2 SER 41 1HB SER 41 11.203 13.785 -10.188
294 HB3 SER 41 2HB SER 41 10.041 12.478 -10.417
295 HG SER 41 HG SER 41 9.758 12.328 -8.294
296 H GLY 42 H GLY 42 14.006 10.373 -9.294
297 HA2 GLY 42 1HA GLY 42 14.668 11.968 -6.917
298 HA3 GLY 42 2HA GLY 42 15.199 10.322 -7.229
299 HA PRO 43 HA PRO 43 19.076 11.958 -8.490
300 HB2 PRO 43 1HB PRO 43 19.966 9.875 -9.986
301 HB3 PRO 43 2HB PRO 43 19.896 9.829 -8.220
302 HG2 PRO 43 1HG PRO 43 17.980 8.697 -10.223
303 HG3 PRO 43 2HG PRO 43 18.594 7.970 -8.727
304 HD2 PRO 43 1HD PRO 43 16.148 9.118 -8.890
305 HD3 PRO 43 2HD PRO 43 17.115 9.140 -7.402
306 H SER 44 H SER 44 20.451 11.756 -10.728
307 HA SER 44 HA SER 44 19.564 13.594 -12.473
308 HB2 SER 44 1HB SER 44 21.799 12.503 -12.571
309 HB3 SER 44 2HB SER 44 21.051 11.100 -13.334
310 HG SER 44 HG SER 44 20.254 12.792 -14.907
311 H SER 45 H SER 45 18.023 13.824 -13.965
312 HA SER 45 HA SER 45 16.058 11.779 -14.310
313 HB2 SER 45 1HB SER 45 15.564 14.242 -14.282
314 HB3 SER 45 2HB SER 45 16.330 14.360 -15.866
315 HG SER 45 HG SER 45 14.353 12.427 -15.554
316 H GLY 46 H GLY 46 16.692 10.015 -15.426
317 HA2 GLY 46 1HA GLY 46 17.212 10.344 -18.259
318 HA3 GLY 46 2HA GLY 46 18.539 9.641 -17.345
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -29.161 -10.924 3.127
2 HA2 GLY 1 1HA GLY 1 -29.383 -10.355 6.011
3 HA3 GLY 1 2HA GLY 1 -29.726 -11.966 5.397
4 H SER 2 H SER 2 -27.962 -12.293 7.115
5 HA SER 2 HA SER 2 -25.360 -12.272 5.737
6 HB2 SER 2 1HB SER 2 -25.292 -10.590 7.499
7 HB3 SER 2 2HB SER 2 -25.872 -11.766 8.679
8 HG SER 2 HG SER 2 -23.423 -11.903 7.246
9 H SER 3 H SER 3 -24.745 -14.276 5.317
10 HA SER 3 HA SER 3 -24.820 -16.308 7.365
11 HB2 SER 3 1HB SER 3 -26.203 -17.884 6.250
12 HB3 SER 3 2HB SER 3 -27.096 -16.364 6.209
13 HG SER 3 HG SER 3 -25.548 -17.488 4.112
14 H GLY 4 H GLY 4 -23.119 -17.641 7.173
15 HA2 GLY 4 1HA GLY 4 -21.528 -18.951 6.034
16 HA3 GLY 4 2HA GLY 4 -21.903 -18.080 4.554
17 H SER 5 H SER 5 -20.985 -15.999 4.219
18 HA SER 5 HA SER 5 -18.329 -15.719 4.663
19 HB2 SER 5 1HB SER 5 -18.579 -13.321 4.209
20 HB3 SER 5 2HB SER 5 -19.625 -14.266 3.150
21 HG SER 5 HG SER 5 -20.277 -12.440 5.087
22 H SER 6 H SER 6 -16.998 -15.172 6.279
23 HA SER 6 HA SER 6 -17.859 -13.604 8.527
24 HB2 SER 6 1HB SER 6 -18.766 -15.727 9.254
25 HB3 SER 6 2HB SER 6 -17.242 -16.543 8.903
26 HG SER 6 HG SER 6 -16.284 -15.440 10.583
27 H GLY 7 H GLY 7 -16.174 -12.242 8.461
28 HA2 GLY 7 1HA GLY 7 -13.667 -12.943 9.461
29 HA3 GLY 7 2HA GLY 7 -13.544 -12.961 7.708
30 H THR 8 H THR 8 -14.037 -10.990 6.549
31 HA THR 8 HA THR 8 -13.508 -8.600 8.191
32 HB THR 8 HB THR 8 -11.667 -9.099 6.662
33 HG1 THR 8 HG1 THR 8 -12.012 -7.019 5.334
34 HG21 THR 8 3HG2 THR 8 -13.166 -10.257 4.967
35 HG22 THR 8 1HG2 THR 8 -11.904 -9.216 4.310
36 HG23 THR 8 2HG2 THR 8 -13.572 -8.647 4.374
37 H GLY 9 H GLY 9 -15.250 -9.801 5.341
38 HA2 GLY 9 1HA GLY 9 -17.694 -8.934 5.569
39 HA3 GLY 9 2HA GLY 9 -16.907 -7.376 5.360
40 H GLU 10 H GLU 10 -18.183 -7.065 3.463
41 HA GLU 10 HA GLU 10 -17.631 -8.825 1.202
42 HB2 GLU 10 1HB GLU 10 -19.938 -7.727 1.904
43 HB3 GLU 10 2HB GLU 10 -19.324 -6.380 0.955
44 HG2 GLU 10 1HG GLU 10 -19.445 -7.525 -1.014
45 HG3 GLU 10 2HG GLU 10 -19.244 -9.096 -0.242
46 H LYS 11 H LYS 11 -17.341 -7.621 -0.962
47 HA LYS 11 HA LYS 11 -15.636 -6.657 -2.191
48 HB2 LYS 11 1HB LYS 11 -15.877 -4.233 -2.254
49 HB3 LYS 11 2HB LYS 11 -17.456 -5.001 -2.151
50 HG2 LYS 11 1HG LYS 11 -17.416 -4.563 0.310
51 HG3 LYS 11 2HG LYS 11 -15.948 -3.617 0.053
52 HD2 LYS 11 1HD LYS 11 -17.146 -2.114 -1.432
53 HD3 LYS 11 2HD LYS 11 -18.609 -3.089 -1.271
54 HE2 LYS 11 1HE LYS 11 -18.689 -2.581 1.116
55 HE3 LYS 11 2HE LYS 11 -17.212 -1.629 0.971
56 HZ1 LYS 11 3HZ LYS 11 -19.806 -1.039 -0.351
57 HZ2 LYS 11 1HZ LYS 11 -18.385 -0.143 -0.552
58 HZ3 LYS 11 2HZ LYS 11 -19.140 -0.202 0.960
59 H ARG 12 H ARG 12 -14.470 -7.807 0.018
60 HA ARG 12 HA ARG 12 -12.925 -6.067 1.600
61 HB2 ARG 12 1HB ARG 12 -11.410 -8.192 1.750
62 HB3 ARG 12 2HB ARG 12 -13.018 -8.209 2.462
63 HG2 ARG 12 1HG ARG 12 -13.898 -9.493 0.691
64 HG3 ARG 12 2HG ARG 12 -12.468 -9.227 -0.309
65 HD2 ARG 12 1HD ARG 12 -11.215 -10.401 1.643
66 HD3 ARG 12 2HD ARG 12 -12.816 -11.003 2.073
67 HE ARG 12 HE ARG 12 -11.183 -11.863 -0.111
68 HH11 ARG 12 1HH1 ARG 12 -14.466 -11.488 0.983
69 HH12 ARG 12 2HH1 ARG 12 -15.089 -12.736 -0.046
70 HH21 ARG 12 1HH2 ARG 12 -11.990 -13.508 -1.469
71 HH22 ARG 12 2HH2 ARG 12 -13.680 -13.885 -1.439
72 H TYR 13 H TYR 13 -11.521 -4.634 0.832
73 HA TYR 13 HA TYR 13 -10.227 -4.932 -1.700
74 HB2 TYR 13 1HB TYR 13 -9.546 -2.937 0.463
75 HB3 TYR 13 2HB TYR 13 -9.239 -2.792 -1.264
76 HD1 TYR 13 HD2 TYR 13 -11.251 -2.617 -2.821
77 HD2 TYR 13 HD1 TYR 13 -11.542 -2.134 1.396
78 HE1 TYR 13 HE2 TYR 13 -13.398 -1.452 -3.109
79 HE2 TYR 13 HE1 TYR 13 -13.691 -0.969 1.120
80 HH TYR 13 HH TYR 13 -15.249 -0.709 -2.027
81 H LYS 14 H LYS 14 -8.645 -6.359 -1.976
82 HA LYS 14 HA LYS 14 -6.855 -7.046 0.204
83 HB2 LYS 14 1HB LYS 14 -7.872 -8.693 -1.490
84 HB3 LYS 14 2HB LYS 14 -6.676 -8.072 -2.621
85 HG2 LYS 14 1HG LYS 14 -4.956 -8.657 -0.807
86 HG3 LYS 14 2HG LYS 14 -6.249 -9.630 -0.102
87 HD2 LYS 14 1HD LYS 14 -5.134 -11.151 -1.458
88 HD3 LYS 14 2HD LYS 14 -6.475 -10.626 -2.478
89 HE2 LYS 14 1HE LYS 14 -5.106 -9.337 -3.833
90 HE3 LYS 14 2HE LYS 14 -3.846 -9.206 -2.607
91 HZ1 LYS 14 3HZ LYS 14 -3.169 -10.681 -4.383
92 HZ2 LYS 14 1HZ LYS 14 -4.531 -11.656 -4.141
93 HZ3 LYS 14 2HZ LYS 14 -3.341 -11.554 -2.944
94 H CYS 15 H CYS 15 -4.678 -6.631 0.286
95 HA CYS 15 HA CYS 15 -3.762 -4.370 -1.256
96 HB2 CYS 15 1HB CYS 15 -3.303 -4.668 1.199
97 HB3 CYS 15 2HB CYS 15 -2.220 -5.990 0.777
98 H ASN 16 H ASN 16 -3.145 -4.767 -3.289
99 HA ASN 16 HA ASN 16 -2.138 -7.202 -4.254
100 HB2 ASN 16 1HB ASN 16 -2.039 -4.388 -5.331
101 HB3 ASN 16 2HB ASN 16 -1.338 -5.745 -6.207
102 HD21 ASN 16 1HD2 ASN 16 -3.355 -4.213 -7.275
103 HD22 ASN 16 2HD2 ASN 16 -4.793 -5.163 -7.395
104 H GLU 17 H GLU 17 -0.674 -4.960 -2.262
105 HA GLU 17 HA GLU 17 2.019 -5.260 -3.257
106 HB2 GLU 17 1HB GLU 17 1.217 -4.173 -0.563
107 HB3 GLU 17 2HB GLU 17 2.682 -3.836 -1.475
108 HG2 GLU 17 1HG GLU 17 0.003 -3.091 -2.570
109 HG3 GLU 17 2HG GLU 17 0.816 -2.063 -1.391
110 H CYS 18 H CYS 18 0.346 -6.200 -0.250
111 HA CYS 18 HA CYS 18 2.359 -8.319 0.105
112 HB2 CYS 18 1HB CYS 18 1.559 -8.312 2.505
113 HB3 CYS 18 2HB CYS 18 2.399 -6.855 1.984
114 H GLY 19 H GLY 19 -1.114 -7.641 0.507
115 HA2 GLY 19 1HA GLY 19 -2.530 -9.373 -0.676
116 HA3 GLY 19 2HA GLY 19 -1.607 -10.541 0.257
117 H LYS 20 H LYS 20 -2.068 -7.790 2.082
118 HA LYS 20 HA LYS 20 -3.777 -9.097 3.924
119 HB2 LYS 20 1HB LYS 20 -3.103 -6.155 3.737
120 HB3 LYS 20 2HB LYS 20 -3.775 -6.976 5.140
121 HG2 LYS 20 1HG LYS 20 -1.214 -7.989 4.038
122 HG3 LYS 20 2HG LYS 20 -1.196 -6.460 4.921
123 HD2 LYS 20 1HD LYS 20 -0.879 -7.886 6.669
124 HD3 LYS 20 2HD LYS 20 -2.644 -7.881 6.638
125 HE2 LYS 20 1HE LYS 20 -2.232 -9.866 4.923
126 HE3 LYS 20 2HE LYS 20 -0.726 -10.000 5.830
127 HZ1 LYS 20 3HZ LYS 20 -1.853 -11.115 7.357
128 HZ2 LYS 20 1HZ LYS 20 -3.324 -10.833 6.570
129 HZ3 LYS 20 2HZ LYS 20 -2.743 -9.718 7.701
130 H VAL 21 H VAL 21 -5.759 -7.741 4.788
131 HA VAL 21 HA VAL 21 -7.382 -6.750 2.561
132 HB VAL 21 HB VAL 21 -9.326 -8.108 3.657
133 HG11 VAL 21 1HG1 VAL 21 -9.088 -9.781 2.006
134 HG12 VAL 21 2HG1 VAL 21 -8.317 -8.337 1.347
135 HG13 VAL 21 3HG1 VAL 21 -7.330 -9.641 2.010
136 HG21 VAL 21 3HG2 VAL 21 -8.426 -10.384 4.375
137 HG22 VAL 21 1HG2 VAL 21 -6.875 -9.573 4.590
138 HG23 VAL 21 2HG2 VAL 21 -8.276 -9.061 5.531
139 H PHE 22 H PHE 22 -9.128 -5.417 3.182
140 HA PHE 22 HA PHE 22 -9.330 -4.717 6.014
141 HB2 PHE 22 1HB PHE 22 -8.969 -2.608 3.881
142 HB3 PHE 22 2HB PHE 22 -9.051 -2.362 5.622
143 HD1 PHE 22 HD2 PHE 22 -7.045 -4.326 3.161
144 HD2 PHE 22 HD1 PHE 22 -7.076 -1.980 6.712
145 HE1 PHE 22 HE2 PHE 22 -4.596 -4.507 3.297
146 HE2 PHE 22 HE1 PHE 22 -4.626 -2.156 6.854
147 HZ PHE 22 HZ PHE 22 -3.383 -3.422 5.146
148 H SER 23 H SER 23 -11.375 -4.428 6.632
149 HA SER 23 HA SER 23 -13.573 -5.052 5.166
150 HB2 SER 23 1HB SER 23 -13.196 -3.297 7.561
151 HB3 SER 23 2HB SER 23 -14.788 -3.382 6.807
152 HG SER 23 HG SER 23 -14.764 -4.992 8.291
153 H ARG 24 H ARG 24 -12.193 -1.807 5.553
154 HA ARG 24 HA ARG 24 -13.842 -0.929 3.272
155 HB2 ARG 24 1HB ARG 24 -12.763 0.857 5.454
156 HB3 ARG 24 2HB ARG 24 -13.919 1.280 4.198
157 HG2 ARG 24 1HG ARG 24 -14.544 -0.862 6.190
158 HG3 ARG 24 2HG ARG 24 -14.772 0.842 6.585
159 HD2 ARG 24 1HD ARG 24 -16.174 1.048 4.527
160 HD3 ARG 24 2HD ARG 24 -16.056 -0.701 4.338
161 HE ARG 24 HE ARG 24 -17.010 0.033 6.923
162 HH11 ARG 24 1HH1 ARG 24 -17.956 -0.372 3.597
163 HH12 ARG 24 2HH1 ARG 24 -19.617 -0.691 3.972
164 HH21 ARG 24 1HH2 ARG 24 -19.194 -0.385 7.430
165 HH22 ARG 24 2HH2 ARG 24 -20.321 -0.697 6.153
166 H ASN 25 H ASN 25 -12.876 0.696 1.882
167 HA ASN 25 HA ASN 25 -10.145 0.070 1.281
168 HB2 ASN 25 1HB ASN 25 -10.432 1.619 -0.607
169 HB3 ASN 25 2HB ASN 25 -11.769 0.477 -0.510
170 HD21 ASN 25 1HD2 ASN 25 -13.792 1.222 -0.288
171 HD22 ASN 25 2HD2 ASN 25 -14.212 2.891 -0.137
172 H SER 26 H SER 26 -11.850 2.745 2.773
173 HA SER 26 HA SER 26 -9.883 4.707 2.690
174 HB2 SER 26 1HB SER 26 -12.137 5.199 3.457
175 HB3 SER 26 2HB SER 26 -11.924 4.145 4.855
176 HG SER 26 HG SER 26 -10.078 6.203 4.490
177 H GLN 27 H GLN 27 -9.982 1.770 4.465
178 HA GLN 27 HA GLN 27 -7.908 2.641 6.326
179 HB2 GLN 27 1HB GLN 27 -9.483 0.075 6.104
180 HB3 GLN 27 2HB GLN 27 -8.197 0.329 7.277
181 HG2 GLN 27 1HG GLN 27 -10.860 1.692 7.103
182 HG3 GLN 27 2HG GLN 27 -10.192 0.742 8.429
183 HE21 GLN 27 1HE2 GLN 27 -10.473 3.830 7.012
184 HE22 GLN 27 2HE2 GLN 27 -9.524 4.701 8.163
185 H LEU 28 H LEU 28 -8.374 0.604 3.525
186 HA LEU 28 HA LEU 28 -5.857 -0.731 3.696
187 HB2 LEU 28 1HB LEU 28 -7.347 -1.920 2.426
188 HB3 LEU 28 2HB LEU 28 -8.018 -0.477 1.668
189 HG LEU 28 HG LEU 28 -5.794 -0.331 0.405
190 HD11 LEU 28 1HD1 LEU 28 -5.500 -2.895 1.836
191 HD12 LEU 28 2HD1 LEU 28 -4.275 -1.768 1.256
192 HD13 LEU 28 3HD1 LEU 28 -5.042 -2.891 0.133
193 HD21 LEU 28 3HD2 LEU 28 -8.197 -1.444 -0.207
194 HD22 LEU 28 1HD2 LEU 28 -7.100 -2.791 -0.512
195 HD23 LEU 28 2HD2 LEU 28 -6.859 -1.253 -1.342
196 H SER 29 H SER 29 -7.066 2.039 1.838
197 HA SER 29 HA SER 29 -4.843 2.556 0.276
198 HB2 SER 29 1HB SER 29 -6.800 3.814 -0.170
199 HB3 SER 29 2HB SER 29 -6.898 4.400 1.491
200 HG SER 29 HG SER 29 -4.956 5.576 1.079
201 H GLN 30 H GLN 30 -5.482 3.494 3.619
202 HA GLN 30 HA GLN 30 -3.187 5.131 3.919
203 HB2 GLN 30 1HB GLN 30 -5.022 3.761 5.871
204 HB3 GLN 30 2HB GLN 30 -3.618 4.670 6.413
205 HG2 GLN 30 1HG GLN 30 -4.579 6.600 5.028
206 HG3 GLN 30 2HG GLN 30 -6.072 5.663 5.018
207 HE21 GLN 30 1HE2 GLN 30 -5.370 8.264 6.251
208 HE22 GLN 30 2HE2 GLN 30 -5.780 8.100 7.921
209 H HIS 31 H HIS 31 -3.576 1.774 3.703
210 HA HIS 31 HA HIS 31 -1.155 1.175 5.218
211 HB2 HIS 31 1HB HIS 31 -2.824 -0.430 5.625
212 HB3 HIS 31 2HB HIS 31 -3.284 -0.513 3.927
213 HD1 HIS 31 HD1 HIS 31 -0.270 -1.389 6.079
214 HD2 HIS 31 HD2 HIS 31 -2.237 -2.652 2.645
215 HE1 HIS 31 HE1 HIS 31 0.925 -3.479 5.350
216 H GLN 32 H GLN 32 -2.412 0.693 1.919
217 HA GLN 32 HA GLN 32 -0.311 -0.445 0.656
218 HB2 GLN 32 1HB GLN 32 -2.250 1.655 -0.221
219 HB3 GLN 32 2HB GLN 32 -0.939 1.200 -1.301
220 HG2 GLN 32 1HG GLN 32 -1.706 -1.186 -1.029
221 HG3 GLN 32 2HG GLN 32 -3.137 -0.541 -0.227
222 HE21 GLN 32 1HE2 GLN 32 -4.724 -0.874 -1.636
223 HE22 GLN 32 2HE2 GLN 32 -4.731 -0.343 -3.280
224 H LYS 33 H LYS 33 -0.591 2.979 1.502
225 HA LYS 33 HA LYS 33 1.635 4.002 0.240
226 HB2 LYS 33 1HB LYS 33 1.619 5.770 1.873
227 HB3 LYS 33 2HB LYS 33 -0.045 5.320 1.523
228 HG2 LYS 33 1HG LYS 33 0.001 3.903 3.588
229 HG3 LYS 33 2HG LYS 33 1.571 4.619 3.961
230 HD2 LYS 33 1HD LYS 33 -0.876 6.289 3.443
231 HD3 LYS 33 2HD LYS 33 -0.473 5.680 5.050
232 HE2 LYS 33 1HE LYS 33 0.567 7.708 5.144
233 HE3 LYS 33 2HE LYS 33 1.877 6.741 4.468
234 HZ1 LYS 33 3HZ LYS 33 0.778 7.473 2.229
235 HZ2 LYS 33 1HZ LYS 33 1.856 8.497 3.035
236 HZ3 LYS 33 2HZ LYS 33 0.189 8.752 3.165
237 H ILE 34 H ILE 34 1.453 2.259 3.307
238 HA ILE 34 HA ILE 34 4.036 2.629 4.234
239 HB ILE 34 HB ILE 34 3.726 0.795 5.638
240 HG12 ILE 34 1HG1 ILE 34 1.764 -0.874 4.922
241 HG13 ILE 34 2HG1 ILE 34 2.254 -0.346 3.316
242 HG21 ILE 34 1HG2 ILE 34 1.934 1.628 6.650
243 HG22 ILE 34 2HG2 ILE 34 1.581 2.538 5.182
244 HG23 ILE 34 3HG2 ILE 34 0.869 0.943 5.424
245 HD11 ILE 34 3HD1 ILE 34 4.403 -1.189 5.159
246 HD12 ILE 34 1HD1 ILE 34 3.329 -2.444 4.541
247 HD13 ILE 34 2HD1 ILE 34 4.235 -1.428 3.420
248 H HIS 35 H HIS 35 2.915 0.758 1.555
249 HA HIS 35 HA HIS 35 5.350 -0.803 1.350
250 HB2 HIS 35 1HB HIS 35 2.893 -0.601 -0.395
251 HB3 HIS 35 2HB HIS 35 4.278 -1.613 -0.793
252 HD1 HIS 35 HD1 HIS 35 4.852 -3.478 1.129
253 HD2 HIS 35 HD2 HIS 35 1.038 -1.829 1.155
254 HE1 HIS 35 HE1 HIS 35 3.445 -5.060 2.486
255 H THR 36 H THR 36 3.974 2.098 0.011
256 HA THR 36 HA THR 36 6.026 2.283 -2.050
257 HB THR 36 HB THR 36 4.873 4.409 -2.671
258 HG1 THR 36 HG1 THR 36 3.719 5.189 -1.059
259 HG21 THR 36 3HG2 THR 36 4.270 2.294 -3.750
260 HG22 THR 36 1HG2 THR 36 2.864 3.344 -3.580
261 HG23 THR 36 2HG2 THR 36 3.085 1.981 -2.482
262 H GLY 37 H GLY 37 7.103 2.286 0.503
263 HA2 GLY 37 1HA GLY 37 8.453 3.485 1.929
264 HA3 GLY 37 2HA GLY 37 8.853 4.402 0.484
265 H GLU 38 H GLU 38 9.109 5.991 2.393
266 HA GLU 38 HA GLU 38 6.861 7.781 2.276
267 HB2 GLU 38 1HB GLU 38 6.383 7.914 4.611
268 HB3 GLU 38 2HB GLU 38 6.292 6.218 4.159
269 HG2 GLU 38 1HG GLU 38 8.570 5.893 5.043
270 HG3 GLU 38 2HG GLU 38 8.578 7.575 5.568
271 H LYS 39 H LYS 39 7.339 9.825 3.543
272 HA LYS 39 HA LYS 39 10.225 10.388 3.382
273 HB2 LYS 39 1HB LYS 39 7.802 12.028 2.743
274 HB3 LYS 39 2HB LYS 39 9.291 12.834 3.220
275 HG2 LYS 39 1HG LYS 39 10.474 11.806 1.374
276 HG3 LYS 39 2HG LYS 39 9.024 10.910 0.918
277 HD2 LYS 39 1HD LYS 39 9.063 12.745 -0.540
278 HD3 LYS 39 2HD LYS 39 7.897 13.198 0.706
279 HE2 LYS 39 1HE LYS 39 9.326 15.078 0.250
280 HE3 LYS 39 2HE LYS 39 9.690 14.458 1.860
281 HZ1 LYS 39 3HZ LYS 39 11.644 13.406 1.044
282 HZ2 LYS 39 1HZ LYS 39 11.672 15.006 0.494
283 HZ3 LYS 39 2HZ LYS 39 11.250 13.756 -0.564
284 HA PRO 40 HA PRO 40 9.264 10.757 7.856
285 HB2 PRO 40 1HB PRO 40 11.720 9.928 8.663
286 HB3 PRO 40 2HB PRO 40 10.413 8.809 8.257
287 HG2 PRO 40 1HG PRO 40 12.742 9.687 6.593
288 HG3 PRO 40 2HG PRO 40 12.057 8.063 6.791
289 HD2 PRO 40 1HD PRO 40 11.527 9.615 4.636
290 HD3 PRO 40 2HD PRO 40 10.348 8.466 5.298
291 H SER 41 H SER 41 12.265 11.679 6.182
292 HA SER 41 HA SER 41 13.305 13.501 7.943
293 HB2 SER 41 1HB SER 41 13.316 13.342 4.951
294 HB3 SER 41 2HB SER 41 14.022 14.750 5.744
295 HG SER 41 HG SER 41 15.233 12.535 5.313
296 H GLY 42 H GLY 42 13.336 15.923 7.740
297 HA2 GLY 42 1HA GLY 42 12.116 17.912 7.020
298 HA3 GLY 42 2HA GLY 42 10.643 16.956 7.105
299 HA PRO 43 HA PRO 43 9.953 18.626 11.109
300 HB2 PRO 43 1HB PRO 43 8.273 16.733 12.092
301 HB3 PRO 43 2HB PRO 43 7.782 17.913 10.871
302 HG2 PRO 43 1HG PRO 43 8.619 15.060 10.519
303 HG3 PRO 43 2HG PRO 43 7.284 15.938 9.749
304 HD2 PRO 43 1HD PRO 43 9.641 15.482 8.497
305 HD3 PRO 43 2HD PRO 43 8.668 16.937 8.199
306 H SER 44 H SER 44 10.025 17.979 13.449
307 HA SER 44 HA SER 44 12.436 16.472 13.930
308 HB2 SER 44 1HB SER 44 10.632 18.192 15.589
309 HB3 SER 44 2HB SER 44 11.749 17.092 16.396
310 HG SER 44 HG SER 44 12.790 19.038 16.107
311 H SER 45 H SER 45 9.024 16.216 14.890
312 HA SER 45 HA SER 45 8.964 14.104 16.546
313 HB2 SER 45 1HB SER 45 7.143 14.411 14.145
314 HB3 SER 45 2HB SER 45 6.790 13.473 15.596
315 HG SER 45 HG SER 45 5.844 15.386 15.983
316 H GLY 46 H GLY 46 9.223 13.831 13.007
317 HA2 GLY 46 1HA GLY 46 10.460 12.230 11.830
318 HA3 GLY 46 2HA GLY 46 10.689 11.339 13.327
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -22.216 -25.273 -11.495
2 HA2 GLY 1 1HA GLY 1 -22.429 -22.806 -9.880
3 HA3 GLY 1 2HA GLY 1 -23.795 -23.868 -10.183
4 H SER 2 H SER 2 -22.725 -23.032 -7.628
5 HA SER 2 HA SER 2 -21.715 -25.591 -6.582
6 HB2 SER 2 1HB SER 2 -21.542 -22.803 -5.415
7 HB3 SER 2 2HB SER 2 -20.971 -24.264 -4.608
8 HG SER 2 HG SER 2 -19.487 -24.555 -6.284
9 H SER 3 H SER 3 -24.418 -25.413 -7.170
10 HA SER 3 HA SER 3 -26.541 -25.450 -6.281
11 HB2 SER 3 1HB SER 3 -26.735 -27.059 -4.434
12 HB3 SER 3 2HB SER 3 -25.592 -27.633 -5.648
13 HG SER 3 HG SER 3 -24.965 -27.737 -3.321
14 H GLY 4 H GLY 4 -25.366 -22.999 -5.712
15 HA2 GLY 4 1HA GLY 4 -26.929 -21.677 -4.053
16 HA3 GLY 4 2HA GLY 4 -25.884 -22.469 -2.883
17 H SER 5 H SER 5 -24.307 -21.219 -2.166
18 HA SER 5 HA SER 5 -22.684 -19.630 -2.048
19 HB2 SER 5 1HB SER 5 -22.007 -21.047 -4.184
20 HB3 SER 5 2HB SER 5 -22.395 -19.544 -5.021
21 HG SER 5 HG SER 5 -20.380 -19.130 -4.493
22 H SER 6 H SER 6 -25.303 -18.713 -2.069
23 HA SER 6 HA SER 6 -25.329 -16.367 -3.813
24 HB2 SER 6 1HB SER 6 -27.379 -17.861 -2.255
25 HB3 SER 6 2HB SER 6 -27.643 -16.134 -2.490
26 HG SER 6 HG SER 6 -27.954 -18.154 -4.243
27 H GLY 7 H GLY 7 -26.383 -14.366 -2.631
28 HA2 GLY 7 1HA GLY 7 -26.086 -12.659 -1.125
29 HA3 GLY 7 2HA GLY 7 -25.836 -13.904 0.090
30 H THR 8 H THR 8 -23.984 -12.937 -2.795
31 HA THR 8 HA THR 8 -21.623 -12.668 -1.051
32 HB THR 8 HB THR 8 -20.291 -13.064 -3.159
33 HG1 THR 8 HG1 THR 8 -22.482 -12.730 -4.386
34 HG21 THR 8 3HG2 THR 8 -21.624 -14.908 -1.463
35 HG22 THR 8 1HG2 THR 8 -20.104 -15.122 -2.330
36 HG23 THR 8 2HG2 THR 8 -21.627 -15.578 -3.094
37 H GLY 9 H GLY 9 -22.110 -10.459 -0.600
38 HA2 GLY 9 1HA GLY 9 -21.372 -8.678 -2.830
39 HA3 GLY 9 2HA GLY 9 -22.756 -8.299 -1.817
40 H GLU 10 H GLU 10 -19.465 -9.458 -1.093
41 HA GLU 10 HA GLU 10 -19.129 -7.093 0.632
42 HB2 GLU 10 1HB GLU 10 -18.543 -9.980 1.171
43 HB3 GLU 10 2HB GLU 10 -17.564 -8.740 1.943
44 HG2 GLU 10 1HG GLU 10 -19.435 -7.836 3.073
45 HG3 GLU 10 2HG GLU 10 -20.562 -8.791 2.111
46 H LYS 11 H LYS 11 -18.016 -5.992 -1.013
47 HA LYS 11 HA LYS 11 -15.823 -7.042 -2.438
48 HB2 LYS 11 1HB LYS 11 -16.934 -4.330 -1.929
49 HB3 LYS 11 2HB LYS 11 -15.278 -4.425 -2.513
50 HG2 LYS 11 1HG LYS 11 -16.003 -5.657 -4.466
51 HG3 LYS 11 2HG LYS 11 -17.664 -5.667 -3.868
52 HD2 LYS 11 1HD LYS 11 -17.446 -3.101 -3.850
53 HD3 LYS 11 2HD LYS 11 -16.039 -3.359 -4.885
54 HE2 LYS 11 1HE LYS 11 -18.749 -4.516 -5.492
55 HE3 LYS 11 2HE LYS 11 -18.240 -2.927 -6.062
56 HZ1 LYS 11 3HZ LYS 11 -17.752 -4.399 -7.794
57 HZ2 LYS 11 1HZ LYS 11 -17.104 -5.568 -6.757
58 HZ3 LYS 11 2HZ LYS 11 -16.260 -4.131 -7.042
59 H ARG 12 H ARG 12 -14.187 -7.939 -1.311
60 HA ARG 12 HA ARG 12 -13.099 -6.568 1.019
61 HB2 ARG 12 1HB ARG 12 -11.585 -8.643 1.056
62 HB3 ARG 12 2HB ARG 12 -13.292 -8.869 1.410
63 HG2 ARG 12 1HG ARG 12 -13.711 -9.821 -0.701
64 HG3 ARG 12 2HG ARG 12 -12.155 -9.282 -1.336
65 HD2 ARG 12 1HD ARG 12 -10.969 -10.870 -0.076
66 HD3 ARG 12 2HD ARG 12 -12.348 -11.187 0.976
67 HE ARG 12 HE ARG 12 -11.764 -12.477 -1.475
68 HH11 ARG 12 1HH1 ARG 12 -14.419 -11.268 0.426
69 HH12 ARG 12 2HH1 ARG 12 -15.567 -12.389 -0.226
70 HH21 ARG 12 1HH2 ARG 12 -13.267 -13.958 -2.341
71 HH22 ARG 12 2HH2 ARG 12 -14.911 -13.920 -1.799
72 H TYR 13 H TYR 13 -11.763 -4.938 0.545
73 HA TYR 13 HA TYR 13 -10.164 -4.861 -1.820
74 HB2 TYR 13 1HB TYR 13 -9.718 -3.110 0.583
75 HB3 TYR 13 2HB TYR 13 -9.479 -2.726 -1.118
76 HD1 TYR 13 HD2 TYR 13 -11.916 -3.320 -2.437
77 HD2 TYR 13 HD1 TYR 13 -11.370 -1.790 1.496
78 HE1 TYR 13 HE2 TYR 13 -14.155 -2.306 -2.526
79 HE2 TYR 13 HE1 TYR 13 -13.608 -0.773 1.418
80 HH TYR 13 HH TYR 13 -15.795 -1.351 -1.279
81 H LYS 14 H LYS 14 -8.584 -6.337 -2.002
82 HA LYS 14 HA LYS 14 -6.908 -6.981 0.294
83 HB2 LYS 14 1HB LYS 14 -7.781 -8.772 -1.212
84 HB3 LYS 14 2HB LYS 14 -6.807 -8.099 -2.513
85 HG2 LYS 14 1HG LYS 14 -4.870 -8.417 -0.743
86 HG3 LYS 14 2HG LYS 14 -5.978 -9.641 -0.119
87 HD2 LYS 14 1HD LYS 14 -4.819 -10.913 -1.620
88 HD3 LYS 14 2HD LYS 14 -6.098 -10.312 -2.678
89 HE2 LYS 14 1HE LYS 14 -4.680 -8.685 -3.631
90 HE3 LYS 14 2HE LYS 14 -3.467 -8.892 -2.368
91 HZ1 LYS 14 3HZ LYS 14 -4.167 -10.850 -4.487
92 HZ2 LYS 14 1HZ LYS 14 -3.093 -11.159 -3.216
93 HZ3 LYS 14 2HZ LYS 14 -2.729 -9.968 -4.359
94 H CYS 15 H CYS 15 -4.750 -6.522 0.457
95 HA CYS 15 HA CYS 15 -3.791 -4.278 -1.044
96 HB2 CYS 15 1HB CYS 15 -3.275 -4.564 1.350
97 HB3 CYS 15 2HB CYS 15 -2.356 -6.018 0.973
98 H ASN 16 H ASN 16 -3.029 -4.478 -3.039
99 HA ASN 16 HA ASN 16 -2.140 -6.906 -4.174
100 HB2 ASN 16 1HB ASN 16 -1.902 -4.031 -5.059
101 HB3 ASN 16 2HB ASN 16 -1.277 -5.367 -6.021
102 HD21 ASN 16 1HD2 ASN 16 -3.411 -3.436 -6.579
103 HD22 ASN 16 2HD2 ASN 16 -4.820 -4.379 -6.915
104 H GLU 17 H GLU 17 -0.623 -4.836 -2.029
105 HA GLU 17 HA GLU 17 2.073 -5.225 -3.009
106 HB2 GLU 17 1HB GLU 17 1.346 -4.171 -0.289
107 HB3 GLU 17 2HB GLU 17 2.776 -3.826 -1.251
108 HG2 GLU 17 1HG GLU 17 -0.022 -2.929 -1.904
109 HG3 GLU 17 2HG GLU 17 1.231 -1.933 -1.164
110 H CYS 18 H CYS 18 0.598 -5.914 0.164
111 HA CYS 18 HA CYS 18 2.438 -8.157 0.490
112 HB2 CYS 18 1HB CYS 18 1.589 -8.188 2.831
113 HB3 CYS 18 2HB CYS 18 2.289 -6.641 2.367
114 H GLY 19 H GLY 19 -1.049 -7.486 0.544
115 HA2 GLY 19 1HA GLY 19 -2.433 -9.150 -0.668
116 HA3 GLY 19 2HA GLY 19 -1.499 -10.383 0.166
117 H LYS 20 H LYS 20 -2.159 -7.682 2.100
118 HA LYS 20 HA LYS 20 -3.811 -9.211 3.856
119 HB2 LYS 20 1HB LYS 20 -2.892 -6.344 3.835
120 HB3 LYS 20 2HB LYS 20 -4.010 -6.946 5.052
121 HG2 LYS 20 1HG LYS 20 -1.488 -8.448 4.613
122 HG3 LYS 20 2HG LYS 20 -1.405 -6.898 5.454
123 HD2 LYS 20 1HD LYS 20 -1.760 -8.272 7.241
124 HD3 LYS 20 2HD LYS 20 -3.436 -7.939 6.800
125 HE2 LYS 20 1HE LYS 20 -3.772 -10.036 5.950
126 HE3 LYS 20 2HE LYS 20 -2.078 -10.247 5.510
127 HZ1 LYS 20 3HZ LYS 20 -1.642 -11.211 7.450
128 HZ2 LYS 20 1HZ LYS 20 -3.314 -11.324 7.685
129 HZ3 LYS 20 2HZ LYS 20 -2.454 -10.021 8.337
130 H VAL 21 H VAL 21 -5.765 -7.697 4.811
131 HA VAL 21 HA VAL 21 -7.406 -6.738 2.592
132 HB VAL 21 HB VAL 21 -9.358 -8.075 3.678
133 HG11 VAL 21 1HG1 VAL 21 -7.832 -10.074 2.265
134 HG12 VAL 21 2HG1 VAL 21 -9.280 -9.200 1.761
135 HG13 VAL 21 3HG1 VAL 21 -7.685 -8.497 1.489
136 HG21 VAL 21 3HG2 VAL 21 -8.362 -9.022 5.575
137 HG22 VAL 21 1HG2 VAL 21 -8.468 -10.356 4.425
138 HG23 VAL 21 2HG2 VAL 21 -6.930 -9.530 4.679
139 H PHE 22 H PHE 22 -9.218 -5.465 3.256
140 HA PHE 22 HA PHE 22 -9.372 -4.741 6.076
141 HB2 PHE 22 1HB PHE 22 -9.008 -2.618 3.958
142 HB3 PHE 22 2HB PHE 22 -9.066 -2.391 5.703
143 HD1 PHE 22 HD2 PHE 22 -7.088 -4.146 3.080
144 HD2 PHE 22 HD1 PHE 22 -7.095 -2.240 6.885
145 HE1 PHE 22 HE2 PHE 22 -4.639 -4.350 3.182
146 HE2 PHE 22 HE1 PHE 22 -4.645 -2.440 6.994
147 HZ PHE 22 HZ PHE 22 -3.414 -3.498 5.141
148 H SER 23 H SER 23 -11.418 -4.483 6.691
149 HA SER 23 HA SER 23 -13.617 -5.063 5.215
150 HB2 SER 23 1HB SER 23 -13.389 -3.135 7.533
151 HB3 SER 23 2HB SER 23 -14.931 -3.687 6.877
152 HG SER 23 HG SER 23 -13.259 -4.940 8.580
153 H ARG 24 H ARG 24 -12.188 -1.847 5.628
154 HA ARG 24 HA ARG 24 -13.884 -0.898 3.412
155 HB2 ARG 24 1HB ARG 24 -12.646 0.817 5.566
156 HB3 ARG 24 2HB ARG 24 -13.821 1.310 4.355
157 HG2 ARG 24 1HG ARG 24 -14.565 -0.872 6.228
158 HG3 ARG 24 2HG ARG 24 -14.529 0.785 6.833
159 HD2 ARG 24 1HD ARG 24 -15.943 0.168 4.275
160 HD3 ARG 24 2HD ARG 24 -16.723 -0.197 5.814
161 HE ARG 24 HE ARG 24 -15.960 2.363 6.139
162 HH11 ARG 24 1HH1 ARG 24 -17.690 0.726 3.600
163 HH12 ARG 24 2HH1 ARG 24 -18.618 2.119 3.155
164 HH21 ARG 24 1HH2 ARG 24 -17.176 4.205 5.563
165 HH22 ARG 24 2HH2 ARG 24 -18.325 4.098 4.272
166 H ASN 25 H ASN 25 -12.889 0.877 2.118
167 HA ASN 25 HA ASN 25 -10.211 0.103 1.358
168 HB2 ASN 25 1HB ASN 25 -10.643 2.041 -0.353
169 HB3 ASN 25 2HB ASN 25 -11.495 0.510 -0.529
170 HD21 ASN 25 1HD2 ASN 25 -13.153 1.516 -1.677
171 HD22 ASN 25 2HD2 ASN 25 -14.338 2.499 -0.893
172 H SER 26 H SER 26 -11.814 2.910 2.770
173 HA SER 26 HA SER 26 -9.761 4.762 2.671
174 HB2 SER 26 1HB SER 26 -11.975 5.391 3.425
175 HB3 SER 26 2HB SER 26 -11.838 4.335 4.830
176 HG SER 26 HG SER 26 -9.873 6.281 4.481
177 H GLN 27 H GLN 27 -9.956 1.859 4.473
178 HA GLN 27 HA GLN 27 -7.881 2.681 6.353
179 HB2 GLN 27 1HB GLN 27 -9.487 0.136 6.103
180 HB3 GLN 27 2HB GLN 27 -8.226 0.383 7.303
181 HG2 GLN 27 1HG GLN 27 -10.744 2.011 7.037
182 HG3 GLN 27 2HG GLN 27 -10.446 0.751 8.233
183 HE21 GLN 27 1HE2 GLN 27 -10.930 3.746 8.331
184 HE22 GLN 27 2HE2 GLN 27 -9.677 4.335 9.364
185 H LEU 28 H LEU 28 -8.344 0.694 3.523
186 HA LEU 28 HA LEU 28 -5.842 -0.682 3.726
187 HB2 LEU 28 1HB LEU 28 -7.338 -1.876 2.466
188 HB3 LEU 28 2HB LEU 28 -7.999 -0.437 1.693
189 HG LEU 28 HG LEU 28 -5.764 -0.320 0.438
190 HD11 LEU 28 1HD1 LEU 28 -4.258 -1.777 1.251
191 HD12 LEU 28 2HD1 LEU 28 -5.086 -2.923 0.198
192 HD13 LEU 28 3HD1 LEU 28 -5.493 -2.850 1.912
193 HD21 LEU 28 3HD2 LEU 28 -6.814 -1.264 -1.314
194 HD22 LEU 28 1HD2 LEU 28 -8.175 -1.363 -0.197
195 HD23 LEU 28 2HD2 LEU 28 -7.137 -2.767 -0.448
196 H SER 29 H SER 29 -7.036 2.067 1.824
197 HA SER 29 HA SER 29 -4.822 2.562 0.255
198 HB2 SER 29 1HB SER 29 -6.964 3.773 0.044
199 HB3 SER 29 2HB SER 29 -6.617 4.633 1.544
200 HG SER 29 HG SER 29 -4.550 5.175 0.285
201 H GLN 30 H GLN 30 -5.438 3.605 3.581
202 HA GLN 30 HA GLN 30 -3.035 5.117 3.814
203 HB2 GLN 30 1HB GLN 30 -4.950 4.010 5.866
204 HB3 GLN 30 2HB GLN 30 -3.551 4.987 6.289
205 HG2 GLN 30 1HG GLN 30 -4.484 6.764 4.763
206 HG3 GLN 30 2HG GLN 30 -5.960 5.803 4.695
207 HE21 GLN 30 1HE2 GLN 30 -7.461 6.504 6.015
208 HE22 GLN 30 2HE2 GLN 30 -7.209 7.222 7.566
209 H HIS 31 H HIS 31 -3.640 1.814 3.736
210 HA HIS 31 HA HIS 31 -1.367 1.111 5.428
211 HB2 HIS 31 1HB HIS 31 -3.097 -0.393 5.821
212 HB3 HIS 31 2HB HIS 31 -3.582 -0.434 4.129
213 HD1 HIS 31 HD1 HIS 31 -1.058 -1.875 6.504
214 HD2 HIS 31 HD2 HIS 31 -2.307 -2.344 2.570
215 HE1 HIS 31 HE1 HIS 31 0.054 -3.980 5.692
216 H GLN 32 H GLN 32 -2.416 0.864 2.054
217 HA GLN 32 HA GLN 32 -0.222 -0.524 1.039
218 HB2 GLN 32 1HB GLN 32 -2.236 1.347 -0.128
219 HB3 GLN 32 2HB GLN 32 -0.839 0.902 -1.100
220 HG2 GLN 32 1HG GLN 32 -1.461 -1.513 -0.591
221 HG3 GLN 32 2HG GLN 32 -2.998 -0.872 -0.014
222 HE21 GLN 32 1HE2 GLN 32 -4.483 -0.109 -1.464
223 HE22 GLN 32 2HE2 GLN 32 -4.322 -0.297 -3.173
224 H LYS 33 H LYS 33 -0.649 2.890 1.738
225 HA LYS 33 HA LYS 33 1.424 4.063 0.398
226 HB2 LYS 33 1HB LYS 33 1.624 5.549 2.504
227 HB3 LYS 33 2HB LYS 33 0.093 5.521 1.638
228 HG2 LYS 33 1HG LYS 33 -0.963 4.278 3.284
229 HG3 LYS 33 2HG LYS 33 0.559 3.687 3.953
230 HD2 LYS 33 1HD LYS 33 -0.278 5.293 5.486
231 HD3 LYS 33 2HD LYS 33 1.054 6.067 4.624
232 HE2 LYS 33 1HE LYS 33 -0.925 6.821 3.025
233 HE3 LYS 33 2HE LYS 33 -1.866 6.600 4.499
234 HZ1 LYS 33 3HZ LYS 33 -1.011 8.438 5.390
235 HZ2 LYS 33 1HZ LYS 33 -0.472 8.828 3.834
236 HZ3 LYS 33 2HZ LYS 33 0.569 8.058 4.922
237 H ILE 34 H ILE 34 1.628 1.708 2.880
238 HA ILE 34 HA ILE 34 4.234 2.307 3.839
239 HB ILE 34 HB ILE 34 4.176 0.257 4.980
240 HG12 ILE 34 1HG1 ILE 34 2.056 -0.667 3.027
241 HG13 ILE 34 2HG1 ILE 34 3.741 -1.178 3.026
242 HG21 ILE 34 1HG2 ILE 34 1.682 1.762 4.776
243 HG22 ILE 34 2HG2 ILE 34 1.477 0.129 5.407
244 HG23 ILE 34 3HG2 ILE 34 2.584 1.248 6.201
245 HD11 ILE 34 3HD1 ILE 34 2.473 -1.590 5.597
246 HD12 ILE 34 1HD1 ILE 34 1.645 -2.436 4.291
247 HD13 ILE 34 2HD1 ILE 34 3.362 -2.719 4.576
248 H HIS 35 H HIS 35 2.996 0.233 1.265
249 HA HIS 35 HA HIS 35 5.647 -0.729 0.598
250 HB2 HIS 35 1HB HIS 35 3.114 -1.137 -0.991
251 HB3 HIS 35 2HB HIS 35 4.577 -2.117 -1.021
252 HD1 HIS 35 HD1 HIS 35 5.008 -3.629 1.116
253 HD2 HIS 35 HD2 HIS 35 1.257 -1.853 0.906
254 HE1 HIS 35 HE1 HIS 35 3.583 -4.868 2.777
255 H THR 36 H THR 36 3.344 1.641 -0.542
256 HA THR 36 HA THR 36 5.076 2.286 -2.821
257 HB THR 36 HB THR 36 3.195 3.742 -3.567
258 HG1 THR 36 HG1 THR 36 1.760 2.493 -1.443
259 HG21 THR 36 3HG2 THR 36 2.625 0.823 -3.070
260 HG22 THR 36 1HG2 THR 36 3.315 1.555 -4.518
261 HG23 THR 36 2HG2 THR 36 1.626 1.847 -4.100
262 H GLY 37 H GLY 37 6.732 3.350 -1.676
263 HA2 GLY 37 1HA GLY 37 5.944 5.838 -0.308
264 HA3 GLY 37 2HA GLY 37 7.468 4.995 -0.076
265 H GLU 38 H GLU 38 8.390 7.148 -0.434
266 HA GLU 38 HA GLU 38 8.812 7.609 -3.304
267 HB2 GLU 38 1HB GLU 38 7.224 9.277 -1.995
268 HB3 GLU 38 2HB GLU 38 8.756 9.960 -1.468
269 HG2 GLU 38 1HG GLU 38 8.028 11.169 -3.380
270 HG3 GLU 38 2HG GLU 38 9.408 10.182 -3.856
271 H LYS 39 H LYS 39 10.837 8.531 -3.854
272 HA LYS 39 HA LYS 39 12.864 8.291 -1.728
273 HB2 LYS 39 1HB LYS 39 13.024 6.520 -3.443
274 HB3 LYS 39 2HB LYS 39 13.196 7.753 -4.686
275 HG2 LYS 39 1HG LYS 39 15.255 8.534 -3.463
276 HG3 LYS 39 2HG LYS 39 15.119 7.075 -2.478
277 HD2 LYS 39 1HD LYS 39 15.162 6.942 -5.477
278 HD3 LYS 39 2HD LYS 39 16.655 7.008 -4.538
279 HE2 LYS 39 1HE LYS 39 14.542 5.002 -3.864
280 HE3 LYS 39 2HE LYS 39 15.645 4.705 -5.207
281 HZ1 LYS 39 3HZ LYS 39 16.155 4.047 -2.664
282 HZ2 LYS 39 1HZ LYS 39 16.914 5.557 -2.751
283 HZ3 LYS 39 2HZ LYS 39 17.352 4.327 -3.826
284 HA PRO 40 HA PRO 40 13.836 12.528 -2.459
285 HB2 PRO 40 1HB PRO 40 16.326 12.563 -1.378
286 HB3 PRO 40 2HB PRO 40 14.855 12.487 -0.400
287 HG2 PRO 40 1HG PRO 40 16.705 10.279 -1.214
288 HG3 PRO 40 2HG PRO 40 15.947 10.580 0.361
289 HD2 PRO 40 1HD PRO 40 14.994 8.745 -1.388
290 HD3 PRO 40 2HD PRO 40 13.938 9.655 -0.289
291 H SER 41 H SER 41 15.809 13.836 -3.288
292 HA SER 41 HA SER 41 16.283 13.165 -5.943
293 HB2 SER 41 1HB SER 41 17.638 15.073 -4.051
294 HB3 SER 41 2HB SER 41 18.217 14.875 -5.705
295 HG SER 41 HG SER 41 16.438 15.793 -6.461
296 H GLY 42 H GLY 42 18.672 13.099 -3.285
297 HA2 GLY 42 1HA GLY 42 19.737 10.660 -3.456
298 HA3 GLY 42 2HA GLY 42 20.416 11.412 -4.891
299 HA PRO 43 HA PRO 43 23.573 13.430 -2.612
300 HB2 PRO 43 1HB PRO 43 23.409 16.065 -3.245
301 HB3 PRO 43 2HB PRO 43 23.965 14.836 -4.387
302 HG2 PRO 43 1HG PRO 43 21.268 16.111 -4.142
303 HG3 PRO 43 2HG PRO 43 22.207 15.752 -5.603
304 HD2 PRO 43 1HD PRO 43 20.166 14.184 -4.762
305 HD3 PRO 43 2HD PRO 43 21.582 13.533 -5.611
306 H SER 44 H SER 44 20.362 14.187 -1.905
307 HA SER 44 HA SER 44 20.198 16.223 -0.189
308 HB2 SER 44 1HB SER 44 18.519 15.037 1.054
309 HB3 SER 44 2HB SER 44 18.417 14.492 -0.620
310 HG SER 44 HG SER 44 19.556 13.147 1.595
311 H SER 45 H SER 45 20.771 16.774 1.885
312 HA SER 45 HA SER 45 23.209 16.215 2.887
313 HB2 SER 45 1HB SER 45 20.658 16.998 4.250
314 HB3 SER 45 2HB SER 45 22.090 16.664 5.224
315 HG SER 45 HG SER 45 22.831 18.537 4.662
316 H GLY 46 H GLY 46 20.260 14.611 4.112
317 HA2 GLY 46 1HA GLY 46 20.094 12.255 4.438
318 HA3 GLY 46 2HA GLY 46 21.848 12.173 4.516
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -12.880 -33.749 -19.398
2 HA2 GLY 1 1HA GLY 1 -14.356 -33.003 -17.417
3 HA3 GLY 1 2HA GLY 1 -12.624 -32.759 -17.247
4 H SER 2 H SER 2 -15.267 -31.300 -16.448
5 HA SER 2 HA SER 2 -14.212 -28.621 -17.038
6 HB2 SER 2 1HB SER 2 -17.146 -29.366 -17.089
7 HB3 SER 2 2HB SER 2 -16.473 -27.761 -17.374
8 HG SER 2 HG SER 2 -16.743 -29.844 -19.087
9 H SER 3 H SER 3 -14.066 -27.314 -15.317
10 HA SER 3 HA SER 3 -15.058 -28.331 -12.758
11 HB2 SER 3 1HB SER 3 -13.098 -26.087 -13.294
12 HB3 SER 3 2HB SER 3 -13.472 -26.795 -11.723
13 HG SER 3 HG SER 3 -12.631 -28.525 -13.735
14 H GLY 4 H GLY 4 -15.618 -26.477 -11.150
15 HA2 GLY 4 1HA GLY 4 -17.431 -24.603 -12.543
16 HA3 GLY 4 2HA GLY 4 -17.861 -25.415 -11.045
17 H SER 5 H SER 5 -16.098 -22.812 -12.496
18 HA SER 5 HA SER 5 -14.980 -21.954 -9.947
19 HB2 SER 5 1HB SER 5 -13.517 -21.704 -11.838
20 HB3 SER 5 2HB SER 5 -14.755 -20.840 -12.749
21 HG SER 5 HG SER 5 -12.967 -19.654 -11.497
22 H SER 6 H SER 6 -16.993 -21.549 -8.882
23 HA SER 6 HA SER 6 -18.078 -18.909 -9.544
24 HB2 SER 6 1HB SER 6 -19.815 -21.285 -8.836
25 HB3 SER 6 2HB SER 6 -20.368 -19.650 -9.201
26 HG SER 6 HG SER 6 -20.476 -20.375 -11.171
27 H GLY 7 H GLY 7 -18.553 -17.646 -7.804
28 HA2 GLY 7 1HA GLY 7 -19.297 -18.243 -5.278
29 HA3 GLY 7 2HA GLY 7 -17.569 -18.558 -5.241
30 H THR 8 H THR 8 -20.025 -16.093 -5.714
31 HA THR 8 HA THR 8 -18.570 -13.848 -6.239
32 HB THR 8 HB THR 8 -20.243 -12.557 -4.944
33 HG1 THR 8 HG1 THR 8 -21.962 -13.898 -3.982
34 HG21 THR 8 3HG2 THR 8 -20.782 -13.259 -7.211
35 HG22 THR 8 1HG2 THR 8 -22.225 -13.311 -6.199
36 HG23 THR 8 2HG2 THR 8 -21.381 -14.805 -6.610
37 H GLY 9 H GLY 9 -17.256 -12.452 -5.154
38 HA2 GLY 9 1HA GLY 9 -15.945 -13.444 -2.801
39 HA3 GLY 9 2HA GLY 9 -15.594 -11.937 -3.635
40 H GLU 10 H GLU 10 -15.348 -11.351 -1.255
41 HA GLU 10 HA GLU 10 -17.959 -10.510 -0.179
42 HB2 GLU 10 1HB GLU 10 -16.587 -12.159 1.187
43 HB3 GLU 10 2HB GLU 10 -15.429 -10.858 1.425
44 HG2 GLU 10 1HG GLU 10 -17.396 -9.510 2.333
45 HG3 GLU 10 2HG GLU 10 -18.252 -11.048 2.405
46 H LYS 11 H LYS 11 -16.626 -9.012 -2.147
47 HA LYS 11 HA LYS 11 -15.620 -6.986 -2.582
48 HB2 LYS 11 1HB LYS 11 -18.014 -6.537 -1.890
49 HB3 LYS 11 2HB LYS 11 -17.393 -6.104 -0.303
50 HG2 LYS 11 1HG LYS 11 -17.495 -4.042 -1.249
51 HG3 LYS 11 2HG LYS 11 -15.858 -4.498 -1.727
52 HD2 LYS 11 1HD LYS 11 -18.146 -5.185 -3.517
53 HD3 LYS 11 2HD LYS 11 -17.543 -3.526 -3.486
54 HE2 LYS 11 1HE LYS 11 -15.225 -4.583 -3.820
55 HE3 LYS 11 2HE LYS 11 -16.106 -6.039 -4.278
56 HZ1 LYS 11 3HZ LYS 11 -15.463 -4.551 -6.157
57 HZ2 LYS 11 1HZ LYS 11 -16.552 -3.403 -5.559
58 HZ3 LYS 11 2HZ LYS 11 -17.114 -4.911 -6.080
59 H ARG 12 H ARG 12 -13.903 -8.433 -1.001
60 HA ARG 12 HA ARG 12 -13.022 -6.640 1.135
61 HB2 ARG 12 1HB ARG 12 -11.463 -8.453 1.727
62 HB3 ARG 12 2HB ARG 12 -13.132 -9.006 1.687
63 HG2 ARG 12 1HG ARG 12 -12.699 -9.889 -0.610
64 HG3 ARG 12 2HG ARG 12 -10.996 -9.492 -0.373
65 HD2 ARG 12 1HD ARG 12 -10.802 -11.027 1.428
66 HD3 ARG 12 2HD ARG 12 -12.549 -11.252 1.510
67 HE ARG 12 HE ARG 12 -12.387 -12.801 -0.163
68 HH11 ARG 12 1HH1 ARG 12 -9.467 -10.906 -0.088
69 HH12 ARG 12 2HH1 ARG 12 -8.644 -11.889 -1.253
70 HH21 ARG 12 1HH2 ARG 12 -11.313 -14.104 -1.697
71 HH22 ARG 12 2HH2 ARG 12 -9.695 -13.708 -2.168
72 H TYR 13 H TYR 13 -11.519 -5.162 0.763
73 HA TYR 13 HA TYR 13 -10.103 -5.066 -1.728
74 HB2 TYR 13 1HB TYR 13 -9.602 -3.340 0.697
75 HB3 TYR 13 2HB TYR 13 -9.260 -2.959 -0.987
76 HD1 TYR 13 HD2 TYR 13 -11.724 -3.616 -2.362
77 HD2 TYR 13 HD1 TYR 13 -11.171 -1.814 1.453
78 HE1 TYR 13 HE2 TYR 13 -13.920 -2.525 -2.564
79 HE2 TYR 13 HE1 TYR 13 -13.365 -0.720 1.261
80 HH TYR 13 HH TYR 13 -14.939 -0.207 -1.383
81 H LYS 14 H LYS 14 -8.559 -6.567 -2.011
82 HA LYS 14 HA LYS 14 -6.781 -7.312 0.154
83 HB2 LYS 14 1HB LYS 14 -7.697 -8.959 -1.515
84 HB3 LYS 14 2HB LYS 14 -6.683 -8.196 -2.733
85 HG2 LYS 14 1HG LYS 14 -4.724 -8.711 -1.195
86 HG3 LYS 14 2HG LYS 14 -5.839 -9.760 -0.317
87 HD2 LYS 14 1HD LYS 14 -6.019 -11.251 -2.059
88 HD3 LYS 14 2HD LYS 14 -5.622 -10.038 -3.278
89 HE2 LYS 14 1HE LYS 14 -3.592 -10.929 -1.260
90 HE3 LYS 14 2HE LYS 14 -3.883 -11.862 -2.728
91 HZ1 LYS 14 3HZ LYS 14 -2.070 -10.031 -2.698
92 HZ2 LYS 14 1HZ LYS 14 -3.371 -8.974 -2.929
93 HZ3 LYS 14 2HZ LYS 14 -3.065 -10.198 -4.056
94 H CYS 15 H CYS 15 -4.719 -6.666 0.419
95 HA CYS 15 HA CYS 15 -3.791 -4.392 -1.048
96 HB2 CYS 15 1HB CYS 15 -3.384 -4.846 1.414
97 HB3 CYS 15 2HB CYS 15 -2.201 -6.050 0.912
98 H ASN 16 H ASN 16 -3.366 -4.895 -3.156
99 HA ASN 16 HA ASN 16 -2.204 -7.177 -4.180
100 HB2 ASN 16 1HB ASN 16 -1.286 -5.434 -5.964
101 HB3 ASN 16 2HB ASN 16 -3.000 -5.823 -5.856
102 HD21 ASN 16 1HD2 ASN 16 -4.429 -4.298 -5.151
103 HD22 ASN 16 2HD2 ASN 16 -3.996 -2.649 -4.872
104 H GLU 17 H GLU 17 -0.759 -4.748 -2.270
105 HA GLU 17 HA GLU 17 1.928 -5.038 -3.179
106 HB2 GLU 17 1HB GLU 17 1.025 -4.086 -0.461
107 HB3 GLU 17 2HB GLU 17 2.547 -3.729 -1.266
108 HG2 GLU 17 1HG GLU 17 -0.110 -2.881 -2.375
109 HG3 GLU 17 2HG GLU 17 0.816 -1.893 -1.246
110 H CYS 18 H CYS 18 0.424 -6.041 -0.100
111 HA CYS 18 HA CYS 18 2.410 -8.205 0.062
112 HB2 CYS 18 1HB CYS 18 1.828 -8.250 2.494
113 HB3 CYS 18 2HB CYS 18 2.536 -6.730 1.959
114 H GLY 19 H GLY 19 -1.035 -7.480 0.453
115 HA2 GLY 19 1HA GLY 19 -2.477 -9.228 -0.648
116 HA3 GLY 19 2HA GLY 19 -1.571 -10.382 0.320
117 H LYS 20 H LYS 20 -1.930 -7.635 2.126
118 HA LYS 20 HA LYS 20 -3.592 -8.808 4.038
119 HB2 LYS 20 1HB LYS 20 -2.625 -6.031 3.517
120 HB3 LYS 20 2HB LYS 20 -3.908 -6.263 4.698
121 HG2 LYS 20 1HG LYS 20 -2.300 -8.065 5.676
122 HG3 LYS 20 2HG LYS 20 -1.070 -7.171 4.781
123 HD2 LYS 20 1HD LYS 20 -0.993 -6.077 6.795
124 HD3 LYS 20 2HD LYS 20 -2.194 -5.099 5.950
125 HE2 LYS 20 1HE LYS 20 -3.988 -6.309 7.041
126 HE3 LYS 20 2HE LYS 20 -2.825 -7.381 7.820
127 HZ1 LYS 20 3HZ LYS 20 -3.689 -5.542 9.243
128 HZ2 LYS 20 1HZ LYS 20 -2.870 -4.447 8.246
129 HZ3 LYS 20 2HZ LYS 20 -2.003 -5.603 9.125
130 H VAL 21 H VAL 21 -5.602 -7.312 4.813
131 HA VAL 21 HA VAL 21 -7.331 -6.630 2.579
132 HB VAL 21 HB VAL 21 -9.178 -8.091 3.620
133 HG11 VAL 21 1HG1 VAL 21 -6.939 -9.530 2.208
134 HG12 VAL 21 2HG1 VAL 21 -8.662 -9.908 2.159
135 HG13 VAL 21 3HG1 VAL 21 -8.060 -8.430 1.407
136 HG21 VAL 21 3HG2 VAL 21 -6.712 -9.348 4.801
137 HG22 VAL 21 1HG2 VAL 21 -8.165 -8.798 5.637
138 HG23 VAL 21 2HG2 VAL 21 -8.230 -10.223 4.599
139 H PHE 22 H PHE 22 -9.216 -5.466 3.203
140 HA PHE 22 HA PHE 22 -9.526 -4.755 6.003
141 HB2 PHE 22 1HB PHE 22 -9.115 -2.562 3.972
142 HB3 PHE 22 2HB PHE 22 -9.213 -2.411 5.723
143 HD1 PHE 22 HD2 PHE 22 -7.169 -4.206 3.167
144 HD2 PHE 22 HD1 PHE 22 -7.251 -2.083 6.855
145 HE1 PHE 22 HE2 PHE 22 -4.718 -4.370 3.312
146 HE2 PHE 22 HE1 PHE 22 -4.800 -2.243 7.006
147 HZ PHE 22 HZ PHE 22 -3.531 -3.389 5.234
148 H SER 23 H SER 23 -11.573 -4.092 6.521
149 HA SER 23 HA SER 23 -13.689 -4.830 4.866
150 HB2 SER 23 1HB SER 23 -13.968 -4.676 7.273
151 HB3 SER 23 2HB SER 23 -13.669 -2.939 7.231
152 HG SER 23 HG SER 23 -15.651 -2.609 6.577
153 H ARG 24 H ARG 24 -12.331 -1.618 5.516
154 HA ARG 24 HA ARG 24 -13.903 -0.578 3.252
155 HB2 ARG 24 1HB ARG 24 -12.678 1.100 5.433
156 HB3 ARG 24 2HB ARG 24 -13.916 1.562 4.272
157 HG2 ARG 24 1HG ARG 24 -15.246 -0.389 5.461
158 HG3 ARG 24 2HG ARG 24 -14.153 0.011 6.787
159 HD2 ARG 24 1HD ARG 24 -14.854 2.424 6.442
160 HD3 ARG 24 2HD ARG 24 -16.133 1.801 5.401
161 HE ARG 24 HE ARG 24 -16.047 0.602 8.019
162 HH11 ARG 24 1HH1 ARG 24 -17.296 3.212 6.082
163 HH12 ARG 24 2HH1 ARG 24 -18.652 3.506 7.119
164 HH21 ARG 24 1HH2 ARG 24 -17.829 0.980 9.392
165 HH22 ARG 24 2HH2 ARG 24 -18.954 2.236 9.002
166 H ASN 25 H ASN 25 -12.856 1.122 1.970
167 HA ASN 25 HA ASN 25 -10.167 0.354 1.293
168 HB2 ASN 25 1HB ASN 25 -12.251 2.128 0.120
169 HB3 ASN 25 2HB ASN 25 -10.575 2.443 -0.319
170 HD21 ASN 25 1HD2 ASN 25 -9.461 0.036 -0.532
171 HD22 ASN 25 2HD2 ASN 25 -10.241 -0.909 -1.750
172 H SER 26 H SER 26 -11.744 3.091 2.832
173 HA SER 26 HA SER 26 -9.632 4.912 2.820
174 HB2 SER 26 1HB SER 26 -11.944 5.474 3.503
175 HB3 SER 26 2HB SER 26 -11.721 4.537 4.980
176 HG SER 26 HG SER 26 -11.299 6.675 5.445
177 H GLN 27 H GLN 27 -9.977 1.963 4.506
178 HA GLN 27 HA GLN 27 -7.965 2.675 6.502
179 HB2 GLN 27 1HB GLN 27 -9.650 0.194 6.140
180 HB3 GLN 27 2HB GLN 27 -8.439 0.384 7.401
181 HG2 GLN 27 1HG GLN 27 -10.811 2.201 7.051
182 HG3 GLN 27 2HG GLN 27 -10.772 0.811 8.136
183 HE21 GLN 27 1HE2 GLN 27 -11.313 3.247 9.160
184 HE22 GLN 27 2HE2 GLN 27 -9.983 3.817 10.104
185 H LEU 28 H LEU 28 -8.412 0.699 3.648
186 HA LEU 28 HA LEU 28 -5.944 -0.728 3.921
187 HB2 LEU 28 1HB LEU 28 -7.464 -1.897 2.654
188 HB3 LEU 28 2HB LEU 28 -8.039 -0.453 1.822
189 HG LEU 28 HG LEU 28 -5.744 -0.462 0.658
190 HD11 LEU 28 1HD1 LEU 28 -5.841 -3.305 1.656
191 HD12 LEU 28 2HD1 LEU 28 -4.657 -2.079 2.110
192 HD13 LEU 28 3HD1 LEU 28 -4.717 -2.674 0.451
193 HD21 LEU 28 3HD2 LEU 28 -8.194 -1.440 -0.029
194 HD22 LEU 28 1HD2 LEU 28 -7.159 -2.844 -0.285
195 HD23 LEU 28 2HD2 LEU 28 -6.808 -1.327 -1.114
196 H SER 29 H SER 29 -7.042 2.041 1.998
197 HA SER 29 HA SER 29 -4.829 2.481 0.427
198 HB2 SER 29 1HB SER 29 -6.695 3.864 0.026
199 HB3 SER 29 2HB SER 29 -6.773 4.394 1.706
200 HG SER 29 HG SER 29 -5.324 5.401 -0.371
201 H GLN 30 H GLN 30 -5.381 3.629 3.742
202 HA GLN 30 HA GLN 30 -2.958 5.036 4.003
203 HB2 GLN 30 1HB GLN 30 -4.659 3.730 6.134
204 HB3 GLN 30 2HB GLN 30 -3.375 4.892 6.438
205 HG2 GLN 30 1HG GLN 30 -5.910 5.410 4.900
206 HG3 GLN 30 2HG GLN 30 -5.552 5.951 6.539
207 HE21 GLN 30 1HE2 GLN 30 -5.235 6.594 3.216
208 HE22 GLN 30 2HE2 GLN 30 -4.288 8.034 3.343
209 H HIS 31 H HIS 31 -3.605 1.703 3.891
210 HA HIS 31 HA HIS 31 -1.184 0.976 5.349
211 HB2 HIS 31 1HB HIS 31 -2.912 -0.502 5.887
212 HB3 HIS 31 2HB HIS 31 -3.503 -0.568 4.229
213 HD1 HIS 31 HD1 HIS 31 -0.894 -2.016 6.491
214 HD2 HIS 31 HD2 HIS 31 -2.260 -2.454 2.592
215 HE1 HIS 31 HE1 HIS 31 0.185 -4.119 5.633
216 H GLN 32 H GLN 32 -2.556 0.749 2.091
217 HA GLN 32 HA GLN 32 -0.443 -0.626 0.878
218 HB2 GLN 32 1HB GLN 32 -2.340 1.401 -0.318
219 HB3 GLN 32 2HB GLN 32 -1.303 0.325 -1.245
220 HG2 GLN 32 1HG GLN 32 -2.466 -1.606 -0.316
221 HG3 GLN 32 2HG GLN 32 -3.502 -0.532 0.623
222 HE21 GLN 32 1HE2 GLN 32 -4.242 -2.492 -1.379
223 HE22 GLN 32 2HE2 GLN 32 -5.089 -1.633 -2.615
224 H LYS 33 H LYS 33 -0.652 2.599 2.009
225 HA LYS 33 HA LYS 33 1.303 3.763 0.291
226 HB2 LYS 33 1HB LYS 33 1.380 5.543 2.091
227 HB3 LYS 33 2HB LYS 33 -0.195 5.257 1.363
228 HG2 LYS 33 1HG LYS 33 -1.076 4.386 3.270
229 HG3 LYS 33 2HG LYS 33 0.474 3.753 3.830
230 HD2 LYS 33 1HD LYS 33 -0.314 5.614 5.224
231 HD3 LYS 33 2HD LYS 33 1.203 6.002 4.409
232 HE2 LYS 33 1HE LYS 33 0.030 7.924 4.008
233 HE3 LYS 33 2HE LYS 33 -0.421 6.986 2.585
234 HZ1 LYS 33 3HZ LYS 33 -2.156 8.150 4.295
235 HZ2 LYS 33 1HZ LYS 33 -2.141 6.552 4.851
236 HZ3 LYS 33 2HZ LYS 33 -2.538 6.883 3.240
237 H ILE 34 H ILE 34 1.496 1.585 2.870
238 HA ILE 34 HA ILE 34 3.999 2.371 3.972
239 HB ILE 34 HB ILE 34 3.962 0.390 5.213
240 HG12 ILE 34 1HG1 ILE 34 2.149 -0.751 3.078
241 HG13 ILE 34 2HG1 ILE 34 3.818 -1.211 3.397
242 HG21 ILE 34 1HG2 ILE 34 1.453 1.768 4.788
243 HG22 ILE 34 2HG2 ILE 34 1.207 0.114 5.346
244 HG23 ILE 34 3HG2 ILE 34 2.201 1.224 6.289
245 HD11 ILE 34 3HD1 ILE 34 2.355 -1.527 5.799
246 HD12 ILE 34 1HD1 ILE 34 1.443 -2.285 4.495
247 HD13 ILE 34 2HD1 ILE 34 3.113 -2.764 4.796
248 H HIS 35 H HIS 35 3.055 0.572 1.174
249 HA HIS 35 HA HIS 35 5.723 -0.543 0.803
250 HB2 HIS 35 1HB HIS 35 3.359 -0.776 -1.061
251 HB3 HIS 35 2HB HIS 35 4.799 -1.790 -1.020
252 HD1 HIS 35 HD1 HIS 35 4.966 -3.518 0.946
253 HD2 HIS 35 HD2 HIS 35 1.347 -1.492 0.699
254 HE1 HIS 35 HE1 HIS 35 3.373 -4.806 2.405
255 H THR 36 H THR 36 4.699 2.406 0.507
256 HA THR 36 HA THR 36 6.244 2.914 -1.939
257 HB THR 36 HB THR 36 4.700 4.658 -2.649
258 HG1 THR 36 HG1 THR 36 3.660 5.399 -0.898
259 HG21 THR 36 3HG2 THR 36 3.267 2.051 -2.128
260 HG22 THR 36 1HG2 THR 36 4.330 2.387 -3.494
261 HG23 THR 36 2HG2 THR 36 2.807 3.261 -3.326
262 H GLY 37 H GLY 37 7.976 4.017 -1.295
263 HA2 GLY 37 1HA GLY 37 7.880 5.694 1.069
264 HA3 GLY 37 2HA GLY 37 9.301 5.332 0.100
265 H GLU 38 H GLU 38 9.996 7.459 -0.009
266 HA GLU 38 HA GLU 38 8.239 9.528 -0.987
267 HB2 GLU 38 1HB GLU 38 10.231 9.754 0.671
268 HB3 GLU 38 2HB GLU 38 11.221 9.796 -0.781
269 HG2 GLU 38 1HG GLU 38 10.018 11.741 -1.580
270 HG3 GLU 38 2HG GLU 38 8.956 11.682 -0.175
271 H LYS 39 H LYS 39 8.365 7.437 -2.803
272 HA LYS 39 HA LYS 39 9.747 8.728 -5.058
273 HB2 LYS 39 1HB LYS 39 9.988 6.348 -5.985
274 HB3 LYS 39 2HB LYS 39 11.078 6.830 -4.692
275 HG2 LYS 39 1HG LYS 39 10.134 5.418 -3.177
276 HG3 LYS 39 2HG LYS 39 8.543 5.485 -3.938
277 HD2 LYS 39 1HD LYS 39 9.253 4.029 -5.701
278 HD3 LYS 39 2HD LYS 39 10.930 4.103 -5.155
279 HE2 LYS 39 1HE LYS 39 8.718 3.049 -3.414
280 HE3 LYS 39 2HE LYS 39 9.593 2.019 -4.546
281 HZ1 LYS 39 3HZ LYS 39 10.607 3.391 -2.140
282 HZ2 LYS 39 1HZ LYS 39 11.666 2.927 -3.376
283 HZ3 LYS 39 2HZ LYS 39 10.743 1.761 -2.570
284 HA PRO 40 HA PRO 40 5.248 8.360 -6.001
285 HB2 PRO 40 1HB PRO 40 5.097 10.764 -7.254
286 HB3 PRO 40 2HB PRO 40 4.939 10.582 -5.503
287 HG2 PRO 40 1HG PRO 40 7.322 11.409 -7.116
288 HG3 PRO 40 2HG PRO 40 6.708 12.089 -5.597
289 HD2 PRO 40 1HD PRO 40 8.803 10.376 -5.684
290 HD3 PRO 40 2HD PRO 40 7.669 10.429 -4.319
291 H SER 41 H SER 41 8.096 8.220 -7.669
292 HA SER 41 HA SER 41 6.693 7.715 -10.207
293 HB2 SER 41 1HB SER 41 8.080 9.867 -10.161
294 HB3 SER 41 2HB SER 41 9.498 8.822 -10.075
295 HG SER 41 HG SER 41 8.527 7.790 -12.025
296 H GLY 42 H GLY 42 7.173 5.746 -8.314
297 HA2 GLY 42 1HA GLY 42 9.619 4.360 -8.762
298 HA3 GLY 42 2HA GLY 42 8.179 3.701 -8.000
299 HA PRO 43 HA PRO 43 7.665 1.121 -11.518
300 HB2 PRO 43 1HB PRO 43 5.021 0.559 -11.267
301 HB3 PRO 43 2HB PRO 43 6.255 -0.134 -10.208
302 HG2 PRO 43 1HG PRO 43 4.427 2.187 -9.723
303 HG3 PRO 43 2HG PRO 43 4.878 0.870 -8.625
304 HD2 PRO 43 1HD PRO 43 6.005 3.328 -8.489
305 HD3 PRO 43 2HD PRO 43 6.892 1.847 -8.076
306 H SER 44 H SER 44 8.054 2.962 -12.985
307 HA SER 44 HA SER 44 6.403 4.851 -13.928
308 HB2 SER 44 1HB SER 44 8.560 4.572 -14.937
309 HB3 SER 44 2HB SER 44 8.131 2.976 -15.552
310 HG SER 44 HG SER 44 7.022 3.865 -17.141
311 H SER 45 H SER 45 6.280 1.453 -14.976
312 HA SER 45 HA SER 45 3.516 1.933 -15.879
313 HB2 SER 45 1HB SER 45 4.949 1.579 -17.817
314 HB3 SER 45 2HB SER 45 5.582 0.093 -17.109
315 HG SER 45 HG SER 45 3.027 -0.250 -17.089
316 H GLY 46 H GLY 46 2.663 1.257 -13.886
317 HA2 GLY 46 1HA GLY 46 1.740 -1.257 -13.596
318 HA3 GLY 46 2HA GLY 46 3.330 -1.366 -12.854
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -12.432 -32.474 -10.472
2 HA2 GLY 1 1HA GLY 1 -11.236 -31.075 -11.844
3 HA3 GLY 1 2HA GLY 1 -12.786 -30.699 -12.582
4 H SER 2 H SER 2 -10.959 -28.745 -12.566
5 HA SER 2 HA SER 2 -11.617 -27.013 -10.286
6 HB2 SER 2 1HB SER 2 -9.197 -27.410 -10.880
7 HB3 SER 2 2HB SER 2 -9.494 -26.551 -12.391
8 HG SER 2 HG SER 2 -10.251 -24.783 -10.994
9 H SER 3 H SER 3 -12.988 -25.380 -10.532
10 HA SER 3 HA SER 3 -13.474 -24.330 -13.237
11 HB2 SER 3 1HB SER 3 -15.278 -25.944 -12.197
12 HB3 SER 3 2HB SER 3 -15.736 -24.507 -11.283
13 HG SER 3 HG SER 3 -15.441 -24.480 -14.096
14 H GLY 4 H GLY 4 -14.268 -22.147 -13.314
15 HA2 GLY 4 1HA GLY 4 -13.079 -20.504 -11.259
16 HA3 GLY 4 2HA GLY 4 -13.839 -19.940 -12.739
17 H SER 5 H SER 5 -14.356 -20.870 -9.414
18 HA SER 5 HA SER 5 -17.097 -19.803 -9.575
19 HB2 SER 5 1HB SER 5 -15.879 -22.009 -7.986
20 HB3 SER 5 2HB SER 5 -17.158 -21.065 -7.222
21 HG SER 5 HG SER 5 -17.658 -23.032 -8.641
22 H SER 6 H SER 6 -16.477 -17.638 -9.319
23 HA SER 6 HA SER 6 -14.775 -16.679 -7.297
24 HB2 SER 6 1HB SER 6 -15.547 -15.420 -9.354
25 HB3 SER 6 2HB SER 6 -17.078 -15.152 -8.521
26 HG SER 6 HG SER 6 -15.549 -13.425 -8.261
27 H GLY 7 H GLY 7 -15.188 -15.770 -5.281
28 HA2 GLY 7 1HA GLY 7 -17.532 -16.862 -3.943
29 HA3 GLY 7 2HA GLY 7 -16.147 -16.103 -3.171
30 H THR 8 H THR 8 -19.266 -15.609 -4.597
31 HA THR 8 HA THR 8 -19.253 -12.780 -4.646
32 HB THR 8 HB THR 8 -21.611 -14.657 -4.388
33 HG1 THR 8 HG1 THR 8 -21.204 -15.050 -6.419
34 HG21 THR 8 3HG2 THR 8 -22.780 -12.775 -4.067
35 HG22 THR 8 1HG2 THR 8 -22.415 -12.389 -5.748
36 HG23 THR 8 2HG2 THR 8 -21.395 -11.755 -4.456
37 H GLY 9 H GLY 9 -19.511 -11.318 -3.074
38 HA2 GLY 9 1HA GLY 9 -21.093 -11.577 -0.794
39 HA3 GLY 9 2HA GLY 9 -19.470 -12.082 -0.350
40 H GLU 10 H GLU 10 -18.848 -10.432 0.943
41 HA GLU 10 HA GLU 10 -19.302 -7.683 0.150
42 HB2 GLU 10 1HB GLU 10 -19.317 -8.721 2.561
43 HB3 GLU 10 2HB GLU 10 -17.580 -8.469 2.469
44 HG2 GLU 10 1HG GLU 10 -19.448 -6.229 1.840
45 HG3 GLU 10 2HG GLU 10 -19.094 -6.649 3.515
46 H LYS 11 H LYS 11 -17.934 -6.489 -0.990
47 HA LYS 11 HA LYS 11 -15.651 -7.404 -2.216
48 HB2 LYS 11 1HB LYS 11 -16.599 -4.640 -1.529
49 HB3 LYS 11 2HB LYS 11 -15.044 -4.874 -2.317
50 HG2 LYS 11 1HG LYS 11 -17.618 -5.970 -3.416
51 HG3 LYS 11 2HG LYS 11 -16.985 -4.376 -3.834
52 HD2 LYS 11 1HD LYS 11 -14.810 -5.683 -4.408
53 HD3 LYS 11 2HD LYS 11 -15.882 -7.084 -4.476
54 HE2 LYS 11 1HE LYS 11 -17.324 -5.479 -5.988
55 HE3 LYS 11 2HE LYS 11 -15.772 -4.679 -6.231
56 HZ1 LYS 11 3HZ LYS 11 -16.068 -7.594 -6.604
57 HZ2 LYS 11 1HZ LYS 11 -14.867 -6.568 -7.209
58 HZ3 LYS 11 2HZ LYS 11 -16.430 -6.511 -7.851
59 H ARG 12 H ARG 12 -13.767 -8.052 -1.431
60 HA ARG 12 HA ARG 12 -12.829 -6.917 1.115
61 HB2 ARG 12 1HB ARG 12 -11.260 -9.001 0.963
62 HB3 ARG 12 2HB ARG 12 -12.933 -9.200 1.467
63 HG2 ARG 12 1HG ARG 12 -13.566 -10.094 -0.610
64 HG3 ARG 12 2HG ARG 12 -12.078 -9.550 -1.387
65 HD2 ARG 12 1HD ARG 12 -10.814 -11.108 0.080
66 HD3 ARG 12 2HD ARG 12 -12.351 -11.709 0.699
67 HE ARG 12 HE ARG 12 -11.145 -12.316 -1.840
68 HH11 ARG 12 1HH1 ARG 12 -14.121 -12.165 -0.040
69 HH12 ARG 12 2HH1 ARG 12 -14.937 -13.319 -1.041
70 HH21 ARG 12 1HH2 ARG 12 -12.209 -13.837 -3.165
71 HH22 ARG 12 2HH2 ARG 12 -13.848 -14.271 -2.818
72 H TYR 13 H TYR 13 -11.738 -5.111 0.429
73 HA TYR 13 HA TYR 13 -10.060 -4.954 -1.812
74 HB2 TYR 13 1HB TYR 13 -9.586 -3.312 0.657
75 HB3 TYR 13 2HB TYR 13 -9.429 -2.841 -1.031
76 HD1 TYR 13 HD2 TYR 13 -11.953 -3.545 -2.223
77 HD2 TYR 13 HD1 TYR 13 -11.180 -1.967 1.652
78 HE1 TYR 13 HE2 TYR 13 -14.217 -2.585 -2.169
79 HE2 TYR 13 HE1 TYR 13 -13.442 -1.004 1.717
80 HH TYR 13 HH TYR 13 -15.232 -0.351 -0.639
81 H LYS 14 H LYS 14 -8.564 -6.556 -2.001
82 HA LYS 14 HA LYS 14 -6.817 -7.213 0.220
83 HB2 LYS 14 1HB LYS 14 -7.734 -8.931 -1.383
84 HB3 LYS 14 2HB LYS 14 -6.689 -8.240 -2.618
85 HG2 LYS 14 1HG LYS 14 -4.844 -8.670 -0.766
86 HG3 LYS 14 2HG LYS 14 -6.007 -9.896 -0.257
87 HD2 LYS 14 1HD LYS 14 -4.702 -11.075 -1.753
88 HD3 LYS 14 2HD LYS 14 -6.026 -10.530 -2.785
89 HE2 LYS 14 1HE LYS 14 -4.697 -8.748 -3.663
90 HE3 LYS 14 2HE LYS 14 -3.417 -9.053 -2.490
91 HZ1 LYS 14 3HZ LYS 14 -3.584 -11.427 -3.683
92 HZ2 LYS 14 1HZ LYS 14 -2.535 -10.201 -4.190
93 HZ3 LYS 14 2HZ LYS 14 -4.017 -10.424 -4.974
94 H CYS 15 H CYS 15 -4.713 -6.644 0.432
95 HA CYS 15 HA CYS 15 -3.765 -4.429 -1.131
96 HB2 CYS 15 1HB CYS 15 -3.392 -4.756 1.360
97 HB3 CYS 15 2HB CYS 15 -2.206 -5.985 0.933
98 H ASN 16 H ASN 16 -3.409 -5.146 -3.215
99 HA ASN 16 HA ASN 16 -2.203 -7.471 -4.057
100 HB2 ASN 16 1HB ASN 16 -1.335 -5.875 -5.991
101 HB3 ASN 16 2HB ASN 16 -3.044 -6.270 -5.827
102 HD21 ASN 16 1HD2 ASN 16 -0.675 -3.816 -5.749
103 HD22 ASN 16 2HD2 ASN 16 -1.730 -2.489 -5.414
104 H GLU 17 H GLU 17 -0.787 -4.873 -2.363
105 HA GLU 17 HA GLU 17 1.897 -5.192 -3.274
106 HB2 GLU 17 1HB GLU 17 1.051 -4.045 -0.617
107 HB3 GLU 17 2HB GLU 17 2.508 -3.687 -1.532
108 HG2 GLU 17 1HG GLU 17 -0.271 -3.017 -2.465
109 HG3 GLU 17 2HG GLU 17 0.779 -1.902 -1.592
110 H CYS 18 H CYS 18 0.331 -6.058 -0.186
111 HA CYS 18 HA CYS 18 2.440 -8.064 0.230
112 HB2 CYS 18 1HB CYS 18 1.664 -8.033 2.614
113 HB3 CYS 18 2HB CYS 18 2.321 -6.500 2.050
114 H GLY 19 H GLY 19 -1.072 -7.588 0.376
115 HA2 GLY 19 1HA GLY 19 -2.362 -9.433 -0.702
116 HA3 GLY 19 2HA GLY 19 -1.371 -10.527 0.252
117 H LYS 20 H LYS 20 -2.003 -7.813 2.065
118 HA LYS 20 HA LYS 20 -3.668 -9.213 3.883
119 HB2 LYS 20 1HB LYS 20 -2.615 -6.429 3.666
120 HB3 LYS 20 2HB LYS 20 -3.951 -6.729 4.770
121 HG2 LYS 20 1HG LYS 20 -2.466 -8.640 5.675
122 HG3 LYS 20 2HG LYS 20 -1.156 -7.782 4.860
123 HD2 LYS 20 1HD LYS 20 -1.088 -6.866 6.983
124 HD3 LYS 20 2HD LYS 20 -2.092 -5.704 6.113
125 HE2 LYS 20 1HE LYS 20 -3.258 -6.060 8.098
126 HE3 LYS 20 2HE LYS 20 -4.076 -7.112 6.944
127 HZ1 LYS 20 3HZ LYS 20 -2.553 -7.795 9.294
128 HZ2 LYS 20 1HZ LYS 20 -2.164 -8.724 7.935
129 HZ3 LYS 20 2HZ LYS 20 -3.759 -8.670 8.493
130 H VAL 21 H VAL 21 -5.656 -7.702 4.742
131 HA VAL 21 HA VAL 21 -7.310 -6.837 2.508
132 HB VAL 21 HB VAL 21 -9.224 -8.275 3.537
133 HG11 VAL 21 1HG1 VAL 21 -8.194 -8.459 1.253
134 HG12 VAL 21 2HG1 VAL 21 -7.118 -9.690 1.916
135 HG13 VAL 21 3HG1 VAL 21 -8.862 -9.958 1.898
136 HG21 VAL 21 3HG2 VAL 21 -8.188 -9.206 5.432
137 HG22 VAL 21 1HG2 VAL 21 -8.275 -10.524 4.264
138 HG23 VAL 21 2HG2 VAL 21 -6.752 -9.673 4.521
139 H PHE 22 H PHE 22 -9.172 -5.638 3.152
140 HA PHE 22 HA PHE 22 -9.387 -4.961 5.986
141 HB2 PHE 22 1HB PHE 22 -9.176 -2.803 3.886
142 HB3 PHE 22 2HB PHE 22 -9.207 -2.603 5.635
143 HD1 PHE 22 HD2 PHE 22 -7.193 -4.266 2.975
144 HD2 PHE 22 HD1 PHE 22 -7.220 -2.289 6.744
145 HE1 PHE 22 HE2 PHE 22 -4.734 -4.327 3.020
146 HE2 PHE 22 HE1 PHE 22 -4.760 -2.347 6.796
147 HZ PHE 22 HZ PHE 22 -3.514 -3.368 4.933
148 H SER 23 H SER 23 -11.299 -3.425 6.326
149 HA SER 23 HA SER 23 -13.557 -4.543 4.874
150 HB2 SER 23 1HB SER 23 -13.340 -4.196 7.463
151 HB3 SER 23 2HB SER 23 -13.836 -2.544 7.094
152 HG SER 23 HG SER 23 -15.540 -4.175 7.569
153 H ARG 24 H ARG 24 -12.237 -1.337 5.656
154 HA ARG 24 HA ARG 24 -13.892 -0.212 3.496
155 HB2 ARG 24 1HB ARG 24 -12.591 1.299 5.765
156 HB3 ARG 24 2HB ARG 24 -13.765 1.917 4.610
157 HG2 ARG 24 1HG ARG 24 -15.433 0.332 5.534
158 HG3 ARG 24 2HG ARG 24 -14.251 -0.132 6.760
159 HD2 ARG 24 1HD ARG 24 -15.810 1.526 7.632
160 HD3 ARG 24 2HD ARG 24 -14.172 2.174 7.561
161 HE ARG 24 HE ARG 24 -15.180 3.024 5.240
162 HH11 ARG 24 1HH1 ARG 24 -16.478 3.100 8.469
163 HH12 ARG 24 2HH1 ARG 24 -17.397 4.545 8.206
164 HH21 ARG 24 1HH2 ARG 24 -16.386 4.927 4.881
165 HH22 ARG 24 2HH2 ARG 24 -17.345 5.583 6.164
166 H ASN 25 H ASN 25 -12.951 0.888 1.846
167 HA ASN 25 HA ASN 25 -10.287 0.377 1.178
168 HB2 ASN 25 1HB ASN 25 -10.635 1.730 -0.730
169 HB3 ASN 25 2HB ASN 25 -12.213 1.037 -0.368
170 HD21 ASN 25 1HD2 ASN 25 -10.992 3.669 -1.539
171 HD22 ASN 25 2HD2 ASN 25 -12.009 4.882 -0.846
172 H SER 26 H SER 26 -11.761 3.058 2.879
173 HA SER 26 HA SER 26 -9.604 4.865 2.731
174 HB2 SER 26 1HB SER 26 -11.768 4.577 4.828
175 HB3 SER 26 2HB SER 26 -10.669 5.951 4.705
176 HG SER 26 HG SER 26 -11.547 5.956 2.394
177 H GLN 27 H GLN 27 -10.049 1.978 4.514
178 HA GLN 27 HA GLN 27 -8.023 2.666 6.495
179 HB2 GLN 27 1HB GLN 27 -9.966 0.423 6.146
180 HB3 GLN 27 2HB GLN 27 -8.532 0.155 7.128
181 HG2 GLN 27 1HG GLN 27 -9.225 2.292 8.365
182 HG3 GLN 27 2HG GLN 27 -10.789 2.066 7.584
183 HE21 GLN 27 1HE2 GLN 27 -11.534 1.899 9.815
184 HE22 GLN 27 2HE2 GLN 27 -11.455 0.366 10.608
185 H LEU 28 H LEU 28 -8.422 0.780 3.592
186 HA LEU 28 HA LEU 28 -5.981 -0.700 3.899
187 HB2 LEU 28 1HB LEU 28 -7.417 -1.867 2.570
188 HB3 LEU 28 2HB LEU 28 -8.080 -0.414 1.825
189 HG LEU 28 HG LEU 28 -5.853 -0.250 0.579
190 HD11 LEU 28 1HD1 LEU 28 -4.671 -2.373 0.275
191 HD12 LEU 28 2HD1 LEU 28 -5.693 -3.115 1.505
192 HD13 LEU 28 3HD1 LEU 28 -4.590 -1.812 1.945
193 HD21 LEU 28 3HD2 LEU 28 -7.225 -2.722 -0.291
194 HD22 LEU 28 1HD2 LEU 28 -6.825 -1.264 -1.198
195 HD23 LEU 28 2HD2 LEU 28 -8.220 -1.275 -0.120
196 H SER 29 H SER 29 -7.022 2.091 1.972
197 HA SER 29 HA SER 29 -4.739 2.521 0.482
198 HB2 SER 29 1HB SER 29 -7.017 3.791 0.509
199 HB3 SER 29 2HB SER 29 -6.221 4.845 1.677
200 HG SER 29 HG SER 29 -4.797 5.480 0.158
201 H GLN 30 H GLN 30 -5.465 3.659 3.763
202 HA GLN 30 HA GLN 30 -3.099 5.137 4.132
203 HB2 GLN 30 1HB GLN 30 -4.862 3.774 6.174
204 HB3 GLN 30 2HB GLN 30 -3.612 4.952 6.551
205 HG2 GLN 30 1HG GLN 30 -4.794 6.691 5.466
206 HG3 GLN 30 2HG GLN 30 -5.930 5.555 4.741
207 HE21 GLN 30 1HE2 GLN 30 -7.590 6.877 5.668
208 HE22 GLN 30 2HE2 GLN 30 -8.024 6.685 7.329
209 H HIS 31 H HIS 31 -3.624 1.794 3.950
210 HA HIS 31 HA HIS 31 -1.253 1.127 5.519
211 HB2 HIS 31 1HB HIS 31 -2.923 -0.427 5.978
212 HB3 HIS 31 2HB HIS 31 -3.492 -0.460 4.312
213 HD1 HIS 31 HD1 HIS 31 -0.715 -1.788 6.489
214 HD2 HIS 31 HD2 HIS 31 -2.347 -2.391 2.717
215 HE1 HIS 31 HE1 HIS 31 0.383 -3.871 5.607
216 H GLN 32 H GLN 32 -2.501 0.625 2.221
217 HA GLN 32 HA GLN 32 -0.310 -0.597 1.085
218 HB2 GLN 32 1HB GLN 32 -2.073 1.471 -0.240
219 HB3 GLN 32 2HB GLN 32 -1.091 0.263 -1.060
220 HG2 GLN 32 1HG GLN 32 -2.453 -1.509 -0.251
221 HG3 GLN 32 2HG GLN 32 -3.323 -0.423 0.832
222 HE21 GLN 32 1HE2 GLN 32 -4.072 -2.199 -1.520
223 HE22 GLN 32 2HE2 GLN 32 -5.040 -1.174 -2.518
224 H LYS 33 H LYS 33 -0.778 2.780 1.871
225 HA LYS 33 HA LYS 33 1.181 4.013 0.384
226 HB2 LYS 33 1HB LYS 33 1.234 5.733 2.063
227 HB3 LYS 33 2HB LYS 33 -0.419 5.147 1.927
228 HG2 LYS 33 1HG LYS 33 0.046 3.683 3.914
229 HG3 LYS 33 2HG LYS 33 1.572 4.552 4.099
230 HD2 LYS 33 1HD LYS 33 -1.103 5.932 3.997
231 HD3 LYS 33 2HD LYS 33 -0.358 5.390 5.502
232 HE2 LYS 33 1HE LYS 33 0.427 7.529 5.449
233 HE3 LYS 33 2HE LYS 33 1.707 6.733 4.535
234 HZ1 LYS 33 3HZ LYS 33 1.226 8.439 3.136
235 HZ2 LYS 33 1HZ LYS 33 -0.397 8.537 3.603
236 HZ3 LYS 33 2HZ LYS 33 0.107 7.314 2.550
237 H ILE 34 H ILE 34 1.542 1.865 3.092
238 HA ILE 34 HA ILE 34 4.176 2.511 3.839
239 HB ILE 34 HB ILE 34 4.219 0.519 5.071
240 HG12 ILE 34 1HG1 ILE 34 2.092 -0.564 3.210
241 HG13 ILE 34 2HG1 ILE 34 3.791 -1.025 3.212
242 HG21 ILE 34 1HG2 ILE 34 1.451 0.362 5.449
243 HG22 ILE 34 2HG2 ILE 34 2.605 1.334 6.360
244 HG23 ILE 34 3HG2 ILE 34 1.775 2.027 4.967
245 HD11 ILE 34 3HD1 ILE 34 2.939 -1.445 5.822
246 HD12 ILE 34 1HD1 ILE 34 1.615 -2.018 4.809
247 HD13 ILE 34 2HD1 ILE 34 3.240 -2.667 4.587
248 H HIS 35 H HIS 35 2.882 0.542 1.259
249 HA HIS 35 HA HIS 35 5.459 -0.593 0.588
250 HB2 HIS 35 1HB HIS 35 2.843 -0.713 -0.928
251 HB3 HIS 35 2HB HIS 35 4.273 -1.691 -1.246
252 HD1 HIS 35 HD1 HIS 35 5.006 -3.183 1.006
253 HD2 HIS 35 HD2 HIS 35 1.044 -1.993 0.620
254 HE1 HIS 35 HE1 HIS 35 3.695 -4.715 2.508
255 H THR 36 H THR 36 3.569 2.160 -0.257
256 HA THR 36 HA THR 36 5.107 2.662 -2.689
257 HB THR 36 HB THR 36 3.604 4.491 -3.120
258 HG1 THR 36 HG1 THR 36 3.311 5.321 -1.048
259 HG21 THR 36 3HG2 THR 36 1.833 2.327 -2.019
260 HG22 THR 36 1HG2 THR 36 2.843 2.060 -3.439
261 HG23 THR 36 2HG2 THR 36 1.603 3.313 -3.463
262 H GLY 37 H GLY 37 7.054 3.542 -2.395
263 HA2 GLY 37 1HA GLY 37 7.545 5.304 -0.127
264 HA3 GLY 37 2HA GLY 37 8.751 4.676 -1.240
265 H GLU 38 H GLU 38 6.775 7.321 -0.425
266 HA GLU 38 HA GLU 38 7.557 8.702 -2.909
267 HB2 GLU 38 1HB GLU 38 5.077 8.363 -2.528
268 HB3 GLU 38 2HB GLU 38 5.222 9.435 -1.143
269 HG2 GLU 38 1HG GLU 38 6.026 11.218 -2.628
270 HG3 GLU 38 2HG GLU 38 5.816 10.141 -4.007
271 H LYS 39 H LYS 39 9.592 9.139 -1.790
272 HA LYS 39 HA LYS 39 9.351 11.511 -0.070
273 HB2 LYS 39 1HB LYS 39 11.090 9.091 0.349
274 HB3 LYS 39 2HB LYS 39 11.500 10.650 1.053
275 HG2 LYS 39 1HG LYS 39 8.811 9.412 1.499
276 HG3 LYS 39 2HG LYS 39 10.205 8.963 2.484
277 HD2 LYS 39 1HD LYS 39 9.483 11.844 2.093
278 HD3 LYS 39 2HD LYS 39 8.640 10.864 3.296
279 HE2 LYS 39 1HE LYS 39 10.888 10.260 4.233
280 HE3 LYS 39 2HE LYS 39 11.591 11.457 3.145
281 HZ1 LYS 39 3HZ LYS 39 9.853 13.011 4.250
282 HZ2 LYS 39 1HZ LYS 39 11.301 12.666 5.055
283 HZ3 LYS 39 2HZ LYS 39 9.877 11.867 5.496
284 HA PRO 40 HA PRO 40 12.191 13.437 -2.809
285 HB2 PRO 40 1HB PRO 40 13.503 15.107 -1.117
286 HB3 PRO 40 2HB PRO 40 11.832 15.375 -1.628
287 HG2 PRO 40 1HG PRO 40 12.867 14.175 0.912
288 HG3 PRO 40 2HG PRO 40 11.549 15.339 0.680
289 HD2 PRO 40 1HD PRO 40 11.107 12.697 1.074
290 HD3 PRO 40 2HD PRO 40 10.044 13.704 0.070
291 H SER 41 H SER 41 14.404 13.583 -3.407
292 HA SER 41 HA SER 41 15.992 11.451 -3.191
293 HB2 SER 41 1HB SER 41 16.629 13.276 -4.625
294 HB3 SER 41 2HB SER 41 16.899 14.336 -3.242
295 HG SER 41 HG SER 41 18.331 11.933 -3.413
296 H GLY 42 H GLY 42 16.301 14.234 -0.977
297 HA2 GLY 42 1HA GLY 42 16.825 12.500 1.256
298 HA3 GLY 42 2HA GLY 42 18.263 13.342 0.698
299 HA PRO 43 HA PRO 43 15.301 16.019 3.404
300 HB2 PRO 43 1HB PRO 43 16.146 15.401 5.909
301 HB3 PRO 43 2HB PRO 43 14.801 14.572 5.117
302 HG2 PRO 43 1HG PRO 43 17.654 13.711 5.398
303 HG3 PRO 43 2HG PRO 43 16.173 12.756 5.593
304 HD2 PRO 43 1HD PRO 43 17.672 12.676 3.340
305 HD3 PRO 43 2HD PRO 43 15.909 12.470 3.321
306 H SER 44 H SER 44 18.619 15.044 4.275
307 HA SER 44 HA SER 44 19.625 17.216 5.488
308 HB2 SER 44 1HB SER 44 20.813 15.383 3.445
309 HB3 SER 44 2HB SER 44 21.746 16.785 3.969
310 HG SER 44 HG SER 44 21.696 14.543 5.175
311 H SER 45 H SER 45 20.368 19.251 4.994
312 HA SER 45 HA SER 45 19.634 20.266 2.326
313 HB2 SER 45 1HB SER 45 18.216 21.174 4.128
314 HB3 SER 45 2HB SER 45 19.655 21.770 4.955
315 HG SER 45 HG SER 45 18.308 23.147 3.331
316 H GLY 46 H GLY 46 21.896 20.670 5.036
317 HA2 GLY 46 1HA GLY 46 23.664 22.378 3.568
318 HA3 GLY 46 2HA GLY 46 23.998 21.618 5.116
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -21.232 -18.825 -24.796
2 HA2 GLY 1 1HA GLY 1 -23.286 -17.269 -24.868
3 HA3 GLY 1 2HA GLY 1 -24.065 -18.601 -24.028
4 H SER 2 H SER 2 -24.492 -17.114 -22.301
5 HA SER 2 HA SER 2 -22.287 -15.965 -20.848
6 HB2 SER 2 1HB SER 2 -24.777 -15.127 -21.069
7 HB3 SER 2 2HB SER 2 -25.038 -16.191 -19.687
8 HG SER 2 HG SER 2 -22.858 -14.466 -19.566
9 H SER 3 H SER 3 -21.967 -16.383 -18.522
10 HA SER 3 HA SER 3 -22.042 -19.267 -18.014
11 HB2 SER 3 1HB SER 3 -20.465 -17.098 -16.606
12 HB3 SER 3 2HB SER 3 -20.312 -18.833 -16.332
13 HG SER 3 HG SER 3 -19.323 -17.271 -18.373
14 H GLY 4 H GLY 4 -22.674 -16.190 -16.333
15 HA2 GLY 4 1HA GLY 4 -25.070 -16.560 -15.249
16 HA3 GLY 4 2HA GLY 4 -24.103 -17.612 -14.226
17 H SER 5 H SER 5 -25.217 -15.891 -12.745
18 HA SER 5 HA SER 5 -23.560 -13.481 -12.553
19 HB2 SER 5 1HB SER 5 -26.030 -13.209 -12.530
20 HB3 SER 5 2HB SER 5 -26.100 -14.176 -11.057
21 HG SER 5 HG SER 5 -24.945 -11.625 -11.436
22 H SER 6 H SER 6 -22.286 -13.038 -10.813
23 HA SER 6 HA SER 6 -22.180 -15.051 -8.667
24 HB2 SER 6 1HB SER 6 -19.838 -13.800 -10.120
25 HB3 SER 6 2HB SER 6 -19.694 -14.764 -8.650
26 HG SER 6 HG SER 6 -20.996 -15.755 -10.951
27 H GLY 7 H GLY 7 -23.169 -13.842 -7.109
28 HA2 GLY 7 1HA GLY 7 -22.604 -11.071 -6.689
29 HA3 GLY 7 2HA GLY 7 -23.524 -12.118 -5.620
30 H THR 8 H THR 8 -21.782 -10.183 -4.654
31 HA THR 8 HA THR 8 -19.838 -11.885 -3.276
32 HB THR 8 HB THR 8 -19.129 -9.194 -4.463
33 HG1 THR 8 HG1 THR 8 -17.511 -10.819 -5.476
34 HG21 THR 8 3HG2 THR 8 -18.076 -9.746 -2.253
35 HG22 THR 8 1HG2 THR 8 -16.932 -9.530 -3.577
36 HG23 THR 8 2HG2 THR 8 -17.344 -11.153 -3.023
37 H GLY 9 H GLY 9 -19.794 -11.545 -1.136
38 HA2 GLY 9 1HA GLY 9 -21.647 -9.787 0.085
39 HA3 GLY 9 2HA GLY 9 -20.395 -10.700 0.914
40 H GLU 10 H GLU 10 -19.335 -9.319 2.179
41 HA GLU 10 HA GLU 10 -19.117 -6.570 1.823
42 HB2 GLU 10 1HB GLU 10 -17.503 -6.588 3.578
43 HB3 GLU 10 2HB GLU 10 -18.666 -7.856 3.937
44 HG2 GLU 10 1HG GLU 10 -17.020 -9.448 2.819
45 HG3 GLU 10 2HG GLU 10 -15.856 -8.130 2.934
46 H LYS 11 H LYS 11 -17.499 -5.222 1.043
47 HA LYS 11 HA LYS 11 -15.890 -6.383 -1.087
48 HB2 LYS 11 1HB LYS 11 -17.332 -4.258 -1.287
49 HB3 LYS 11 2HB LYS 11 -16.046 -3.459 -0.391
50 HG2 LYS 11 1HG LYS 11 -14.501 -3.752 -2.111
51 HG3 LYS 11 2HG LYS 11 -15.467 -5.009 -2.888
52 HD2 LYS 11 1HD LYS 11 -17.230 -3.059 -3.085
53 HD3 LYS 11 2HD LYS 11 -15.790 -2.047 -2.948
54 HE2 LYS 11 1HE LYS 11 -15.888 -4.322 -4.895
55 HE3 LYS 11 2HE LYS 11 -16.609 -2.764 -5.296
56 HZ1 LYS 11 3HZ LYS 11 -14.005 -2.412 -4.237
57 HZ2 LYS 11 1HZ LYS 11 -14.617 -1.940 -5.742
58 HZ3 LYS 11 2HZ LYS 11 -13.958 -3.485 -5.544
59 H ARG 12 H ARG 12 -14.348 -7.464 0.253
60 HA ARG 12 HA ARG 12 -12.665 -5.898 2.003
61 HB2 ARG 12 1HB ARG 12 -11.495 -7.988 2.429
62 HB3 ARG 12 2HB ARG 12 -13.232 -8.231 2.549
63 HG2 ARG 12 1HG ARG 12 -13.032 -8.974 0.066
64 HG3 ARG 12 2HG ARG 12 -11.327 -9.191 0.466
65 HD2 ARG 12 1HD ARG 12 -11.946 -10.679 2.304
66 HD3 ARG 12 2HD ARG 12 -13.652 -10.450 1.918
67 HE ARG 12 HE ARG 12 -13.417 -11.874 0.118
68 HH11 ARG 12 1HH1 ARG 12 -10.298 -11.123 1.469
69 HH12 ARG 12 2HH1 ARG 12 -9.467 -12.346 0.566
70 HH21 ARG 12 1HH2 ARG 12 -12.334 -13.488 -1.076
71 HH22 ARG 12 2HH2 ARG 12 -10.626 -13.690 -0.882
72 H TYR 13 H TYR 13 -11.419 -4.461 0.932
73 HA TYR 13 HA TYR 13 -10.248 -4.935 -1.606
74 HB2 TYR 13 1HB TYR 13 -9.471 -2.890 0.484
75 HB3 TYR 13 2HB TYR 13 -9.028 -2.851 -1.218
76 HD1 TYR 13 HD1 TYR 13 -11.828 -2.516 1.160
77 HD2 TYR 13 HD2 TYR 13 -10.555 -2.056 -2.874
78 HE1 TYR 13 HE1 TYR 13 -13.877 -1.249 0.664
79 HE2 TYR 13 HE2 TYR 13 -12.600 -0.787 -3.380
80 HH TYR 13 HH TYR 13 -14.281 0.682 -1.852
81 H LYS 14 H LYS 14 -8.722 -6.400 -1.959
82 HA LYS 14 HA LYS 14 -6.874 -7.177 0.132
83 HB2 LYS 14 1HB LYS 14 -7.967 -8.787 -1.496
84 HB3 LYS 14 2HB LYS 14 -6.906 -8.126 -2.733
85 HG2 LYS 14 1HG LYS 14 -5.053 -8.722 -0.938
86 HG3 LYS 14 2HG LYS 14 -6.279 -9.887 -0.433
87 HD2 LYS 14 1HD LYS 14 -6.131 -11.088 -2.372
88 HD3 LYS 14 2HD LYS 14 -5.667 -9.683 -3.334
89 HE2 LYS 14 1HE LYS 14 -3.822 -10.803 -1.256
90 HE3 LYS 14 2HE LYS 14 -3.909 -11.520 -2.864
91 HZ1 LYS 14 3HZ LYS 14 -3.164 -9.549 -3.852
92 HZ2 LYS 14 1HZ LYS 14 -2.167 -9.747 -2.500
93 HZ3 LYS 14 2HZ LYS 14 -3.434 -8.628 -2.459
94 H CYS 15 H CYS 15 -4.810 -6.552 0.328
95 HA CYS 15 HA CYS 15 -3.834 -4.371 -1.215
96 HB2 CYS 15 1HB CYS 15 -3.288 -4.793 1.198
97 HB3 CYS 15 2HB CYS 15 -2.271 -6.133 0.680
98 H ASN 16 H ASN 16 -2.928 -4.461 -3.151
99 HA ASN 16 HA ASN 16 -2.086 -6.958 -4.297
100 HB2 ASN 16 1HB ASN 16 -2.105 -4.115 -5.307
101 HB3 ASN 16 2HB ASN 16 -1.437 -5.444 -6.250
102 HD21 ASN 16 1HD2 ASN 16 -4.178 -3.689 -5.538
103 HD22 ASN 16 2HD2 ASN 16 -5.357 -4.745 -6.230
104 H GLU 17 H GLU 17 -0.622 -5.286 -2.044
105 HA GLU 17 HA GLU 17 2.058 -5.386 -3.248
106 HB2 GLU 17 1HB GLU 17 1.179 -4.053 -0.680
107 HB3 GLU 17 2HB GLU 17 2.781 -3.964 -1.399
108 HG2 GLU 17 1HG GLU 17 0.269 -2.939 -2.699
109 HG3 GLU 17 2HG GLU 17 1.400 -1.950 -1.777
110 H CYS 18 H CYS 18 0.424 -6.135 -0.167
111 HA CYS 18 HA CYS 18 2.457 -8.200 0.327
112 HB2 CYS 18 1HB CYS 18 1.688 -8.116 2.680
113 HB3 CYS 18 2HB CYS 18 2.276 -6.558 2.109
114 H GLY 19 H GLY 19 -1.051 -7.636 0.506
115 HA2 GLY 19 1HA GLY 19 -2.397 -9.417 -0.621
116 HA3 GLY 19 2HA GLY 19 -1.419 -10.560 0.287
117 H LYS 20 H LYS 20 -2.196 -7.707 1.978
118 HA LYS 20 HA LYS 20 -3.821 -9.185 3.839
119 HB2 LYS 20 1HB LYS 20 -2.789 -6.363 3.724
120 HB3 LYS 20 2HB LYS 20 -3.974 -6.843 4.932
121 HG2 LYS 20 1HG LYS 20 -2.263 -8.758 5.419
122 HG3 LYS 20 2HG LYS 20 -1.124 -7.656 4.643
123 HD2 LYS 20 1HD LYS 20 -0.921 -6.947 6.804
124 HD3 LYS 20 2HD LYS 20 -2.256 -5.914 6.286
125 HE2 LYS 20 1HE LYS 20 -3.072 -6.746 8.270
126 HE3 LYS 20 2HE LYS 20 -3.732 -7.903 7.115
127 HZ1 LYS 20 3HZ LYS 20 -2.820 -9.135 8.894
128 HZ2 LYS 20 1HZ LYS 20 -1.375 -8.256 8.877
129 HZ3 LYS 20 2HZ LYS 20 -1.740 -9.308 7.604
130 H VAL 21 H VAL 21 -5.776 -7.724 4.744
131 HA VAL 21 HA VAL 21 -7.380 -6.724 2.510
132 HB VAL 21 HB VAL 21 -9.337 -8.054 3.707
133 HG11 VAL 21 1HG1 VAL 21 -9.298 -9.575 1.931
134 HG12 VAL 21 2HG1 VAL 21 -8.431 -8.168 1.313
135 HG13 VAL 21 3HG1 VAL 21 -7.536 -9.586 1.860
136 HG21 VAL 21 3HG2 VAL 21 -6.855 -9.619 4.359
137 HG22 VAL 21 1HG2 VAL 21 -8.153 -9.117 5.442
138 HG23 VAL 21 2HG2 VAL 21 -8.444 -10.375 4.241
139 H PHE 22 H PHE 22 -9.226 -5.471 3.175
140 HA PHE 22 HA PHE 22 -9.369 -4.717 5.985
141 HB2 PHE 22 1HB PHE 22 -8.978 -2.619 3.846
142 HB3 PHE 22 2HB PHE 22 -9.071 -2.363 5.585
143 HD1 PHE 22 HD2 PHE 22 -7.064 -4.337 3.133
144 HD2 PHE 22 HD1 PHE 22 -7.102 -2.020 6.703
145 HE1 PHE 22 HE2 PHE 22 -4.617 -4.542 3.289
146 HE2 PHE 22 HE1 PHE 22 -4.655 -2.221 6.864
147 HZ PHE 22 HZ PHE 22 -3.410 -3.484 5.156
148 H SER 23 H SER 23 -11.402 -4.322 6.612
149 HA SER 23 HA SER 23 -13.632 -4.990 5.273
150 HB2 SER 23 1HB SER 23 -13.422 -4.184 7.692
151 HB3 SER 23 2HB SER 23 -13.643 -2.554 7.055
152 HG SER 23 HG SER 23 -15.524 -4.214 7.697
153 H ARG 24 H ARG 24 -12.163 -1.760 5.214
154 HA ARG 24 HA ARG 24 -13.667 -1.218 2.744
155 HB2 ARG 24 1HB ARG 24 -13.057 0.891 4.812
156 HB3 ARG 24 2HB ARG 24 -14.101 1.031 3.403
157 HG2 ARG 24 1HG ARG 24 -14.728 -0.950 5.551
158 HG3 ARG 24 2HG ARG 24 -15.153 0.752 5.746
159 HD2 ARG 24 1HD ARG 24 -16.233 0.521 3.418
160 HD3 ARG 24 2HD ARG 24 -16.130 -1.215 3.706
161 HE ARG 24 HE ARG 24 -17.869 -1.033 5.178
162 HH11 ARG 24 1HH1 ARG 24 -16.531 2.130 4.610
163 HH12 ARG 24 2HH1 ARG 24 -17.776 2.957 5.486
164 HH21 ARG 24 1HH2 ARG 24 -19.514 0.044 6.334
165 HH22 ARG 24 2HH2 ARG 24 -19.472 1.770 6.467
166 H ASN 25 H ASN 25 -12.676 0.568 1.448
167 HA ASN 25 HA ASN 25 -9.887 0.046 1.103
168 HB2 ASN 25 1HB ASN 25 -11.567 0.559 -0.738
169 HB3 ASN 25 2HB ASN 25 -11.473 2.242 -0.229
170 HD21 ASN 25 1HD2 ASN 25 -10.740 2.588 -2.426
171 HD22 ASN 25 2HD2 ASN 25 -9.070 2.358 -2.803
172 H SER 26 H SER 26 -11.779 2.844 2.185
173 HA SER 26 HA SER 26 -9.871 4.771 2.431
174 HB2 SER 26 1HB SER 26 -12.275 4.094 4.080
175 HB3 SER 26 2HB SER 26 -11.191 5.367 4.638
176 HG SER 26 HG SER 26 -12.451 5.253 2.096
177 H GLN 27 H GLN 27 -10.140 1.849 4.265
178 HA GLN 27 HA GLN 27 -8.193 2.746 6.243
179 HB2 GLN 27 1HB GLN 27 -9.916 0.302 5.964
180 HB3 GLN 27 2HB GLN 27 -8.562 0.323 7.085
181 HG2 GLN 27 1HG GLN 27 -9.653 2.510 7.956
182 HG3 GLN 27 2HG GLN 27 -11.096 1.895 7.151
183 HE21 GLN 27 1HE2 GLN 27 -12.082 0.031 7.923
184 HE22 GLN 27 2HE2 GLN 27 -11.742 -0.608 9.491
185 H LEU 28 H LEU 28 -8.444 0.702 3.432
186 HA LEU 28 HA LEU 28 -5.987 -0.693 3.823
187 HB2 LEU 28 1HB LEU 28 -7.385 -1.830 2.407
188 HB3 LEU 28 2HB LEU 28 -7.934 -0.364 1.598
189 HG LEU 28 HG LEU 28 -5.579 -0.286 0.574
190 HD11 LEU 28 1HD1 LEU 28 -5.662 -3.178 1.424
191 HD12 LEU 28 2HD1 LEU 28 -4.571 -1.948 2.061
192 HD13 LEU 28 3HD1 LEU 28 -4.458 -2.434 0.370
193 HD21 LEU 28 3HD2 LEU 28 -6.503 -1.127 -1.289
194 HD22 LEU 28 1HD2 LEU 28 -7.955 -1.278 -0.300
195 HD23 LEU 28 2HD2 LEU 28 -6.892 -2.668 -0.522
196 H SER 29 H SER 29 -6.944 2.137 1.913
197 HA SER 29 HA SER 29 -4.610 2.619 0.532
198 HB2 SER 29 1HB SER 29 -6.920 3.911 0.631
199 HB3 SER 29 2HB SER 29 -6.032 4.953 1.742
200 HG SER 29 HG SER 29 -4.739 4.290 -0.621
201 H GLN 30 H GLN 30 -5.428 3.583 3.842
202 HA GLN 30 HA GLN 30 -3.083 5.056 4.350
203 HB2 GLN 30 1HB GLN 30 -5.133 3.726 6.087
204 HB3 GLN 30 2HB GLN 30 -3.683 4.414 6.807
205 HG2 GLN 30 1HG GLN 30 -4.261 6.578 5.704
206 HG3 GLN 30 2HG GLN 30 -5.792 5.852 5.220
207 HE21 GLN 30 1HE2 GLN 30 -7.168 7.047 6.411
208 HE22 GLN 30 2HE2 GLN 30 -7.174 7.098 8.138
209 H HIS 31 H HIS 31 -3.614 1.709 4.037
210 HA HIS 31 HA HIS 31 -1.252 0.993 5.596
211 HB2 HIS 31 1HB HIS 31 -2.918 -0.576 5.999
212 HB3 HIS 31 2HB HIS 31 -3.488 -0.551 4.333
213 HD1 HIS 31 HD1 HIS 31 -0.560 -1.836 6.368
214 HD2 HIS 31 HD2 HIS 31 -2.501 -2.551 2.765
215 HE1 HIS 31 HE1 HIS 31 0.496 -3.921 5.437
216 H GLN 32 H GLN 32 -2.478 0.630 2.273
217 HA GLN 32 HA GLN 32 -0.278 -0.568 1.114
218 HB2 GLN 32 1HB GLN 32 -2.067 1.524 -0.137
219 HB3 GLN 32 2HB GLN 32 -1.043 0.391 -1.009
220 HG2 GLN 32 1HG GLN 32 -2.358 -1.460 -0.316
221 HG3 GLN 32 2HG GLN 32 -3.258 -0.468 0.830
222 HE21 GLN 32 1HE2 GLN 32 -3.575 -2.005 -1.963
223 HE22 GLN 32 2HE2 GLN 32 -4.723 -0.995 -2.767
224 H LYS 33 H LYS 33 -0.778 2.798 1.957
225 HA LYS 33 HA LYS 33 1.167 4.095 0.539
226 HB2 LYS 33 1HB LYS 33 1.239 5.733 2.292
227 HB3 LYS 33 2HB LYS 33 -0.411 5.138 2.173
228 HG2 LYS 33 1HG LYS 33 0.072 3.616 4.084
229 HG3 LYS 33 2HG LYS 33 1.641 4.409 4.249
230 HD2 LYS 33 1HD LYS 33 -0.911 5.988 4.253
231 HD3 LYS 33 2HD LYS 33 -0.303 5.228 5.725
232 HE2 LYS 33 1HE LYS 33 1.471 6.973 4.058
233 HE3 LYS 33 2HE LYS 33 0.341 7.682 5.210
234 HZ1 LYS 33 3HZ LYS 33 2.125 5.532 6.112
235 HZ2 LYS 33 1HZ LYS 33 1.470 6.825 6.987
236 HZ3 LYS 33 2HZ LYS 33 2.759 7.089 5.923
237 H ILE 34 H ILE 34 1.586 1.791 3.097
238 HA ILE 34 HA ILE 34 4.235 2.418 3.835
239 HB ILE 34 HB ILE 34 4.306 0.367 4.966
240 HG12 ILE 34 1HG1 ILE 34 2.090 -0.638 3.168
241 HG13 ILE 34 2HG1 ILE 34 3.793 -1.049 2.995
242 HG21 ILE 34 1HG2 ILE 34 1.568 0.183 5.438
243 HG22 ILE 34 2HG2 ILE 34 2.737 1.161 6.325
244 HG23 ILE 34 3HG2 ILE 34 1.841 1.863 4.978
245 HD11 ILE 34 3HD1 ILE 34 2.087 -2.617 4.255
246 HD12 ILE 34 1HD1 ILE 34 3.769 -2.468 4.764
247 HD13 ILE 34 2HD1 ILE 34 2.508 -1.572 5.612
248 H HIS 35 H HIS 35 2.890 0.382 1.294
249 HA HIS 35 HA HIS 35 5.471 -0.615 0.481
250 HB2 HIS 35 1HB HIS 35 2.833 -0.786 -0.987
251 HB3 HIS 35 2HB HIS 35 4.270 -1.760 -1.285
252 HD1 HIS 35 HD1 HIS 35 4.992 -3.275 0.917
253 HD2 HIS 35 HD2 HIS 35 1.052 -1.986 0.654
254 HE1 HIS 35 HE1 HIS 35 3.690 -4.773 2.460
255 H THR 36 H THR 36 3.348 2.003 -0.376
256 HA THR 36 HA THR 36 4.613 2.595 -2.881
257 HB THR 36 HB THR 36 3.182 4.448 -3.048
258 HG1 THR 36 HG1 THR 36 3.567 5.519 -1.131
259 HG21 THR 36 3HG2 THR 36 2.146 1.983 -2.388
260 HG22 THR 36 1HG2 THR 36 1.236 3.335 -3.060
261 HG23 THR 36 2HG2 THR 36 1.276 3.079 -1.315
262 H GLY 37 H GLY 37 6.701 3.176 -2.865
263 HA2 GLY 37 1HA GLY 37 7.445 5.480 -1.195
264 HA3 GLY 37 2HA GLY 37 8.451 4.039 -1.161
265 H GLU 38 H GLU 38 9.642 3.461 -3.028
266 HA GLU 38 HA GLU 38 10.690 5.675 -4.451
267 HB2 GLU 38 1HB GLU 38 12.091 3.767 -3.961
268 HB3 GLU 38 2HB GLU 38 11.028 2.703 -4.872
269 HG2 GLU 38 1HG GLU 38 11.616 4.399 -6.819
270 HG3 GLU 38 2HG GLU 38 13.055 4.639 -5.829
271 H LYS 39 H LYS 39 9.616 6.722 -5.985
272 HA LYS 39 HA LYS 39 8.304 5.152 -8.092
273 HB2 LYS 39 1HB LYS 39 7.147 7.593 -6.735
274 HB3 LYS 39 2HB LYS 39 6.476 6.831 -8.171
275 HG2 LYS 39 1HG LYS 39 6.855 5.335 -5.597
276 HG3 LYS 39 2HG LYS 39 5.396 6.265 -5.947
277 HD2 LYS 39 1HD LYS 39 5.108 4.928 -8.021
278 HD3 LYS 39 2HD LYS 39 6.491 3.945 -7.536
279 HE2 LYS 39 1HE LYS 39 5.349 3.136 -5.618
280 HE3 LYS 39 2HE LYS 39 4.055 4.318 -5.808
281 HZ1 LYS 39 3HZ LYS 39 4.586 1.895 -7.407
282 HZ2 LYS 39 1HZ LYS 39 3.661 3.163 -8.039
283 HZ3 LYS 39 2HZ LYS 39 3.155 2.365 -6.636
284 HA PRO 40 HA PRO 40 10.614 7.730 -10.810
285 HB2 PRO 40 1HB PRO 40 9.117 7.449 -13.057
286 HB3 PRO 40 2HB PRO 40 10.164 6.169 -12.434
287 HG2 PRO 40 1HG PRO 40 7.206 6.512 -12.130
288 HG3 PRO 40 2HG PRO 40 8.131 5.042 -12.484
289 HD2 PRO 40 1HD PRO 40 7.197 5.615 -10.008
290 HD3 PRO 40 2HD PRO 40 8.708 4.722 -10.276
291 H SER 41 H SER 41 7.614 8.519 -9.606
292 HA SER 41 HA SER 41 7.258 10.908 -11.242
293 HB2 SER 41 1HB SER 41 5.356 9.348 -10.407
294 HB3 SER 41 2HB SER 41 5.556 10.188 -8.869
295 HG SER 41 HG SER 41 5.234 11.623 -11.274
296 H GLY 42 H GLY 42 6.707 12.968 -10.017
297 HA2 GLY 42 1HA GLY 42 8.164 13.253 -7.498
298 HA3 GLY 42 2HA GLY 42 8.741 14.192 -8.866
299 HA PRO 43 HA PRO 43 5.902 17.394 -7.932
300 HB2 PRO 43 1HB PRO 43 5.240 18.303 -10.402
301 HB3 PRO 43 2HB PRO 43 6.825 18.580 -9.670
302 HG2 PRO 43 1HG PRO 43 6.001 16.523 -11.683
303 HG3 PRO 43 2HG PRO 43 7.466 17.520 -11.638
304 HD2 PRO 43 1HD PRO 43 7.437 14.936 -10.831
305 HD3 PRO 43 2HD PRO 43 8.500 16.154 -10.097
306 H SER 44 H SER 44 3.776 17.636 -7.502
307 HA SER 44 HA SER 44 1.725 16.559 -9.201
308 HB2 SER 44 1HB SER 44 0.797 14.963 -7.637
309 HB3 SER 44 2HB SER 44 2.485 14.544 -7.930
310 HG SER 44 HG SER 44 1.275 15.169 -5.613
311 H SER 45 H SER 45 -0.454 17.030 -8.368
312 HA SER 45 HA SER 45 -0.918 19.592 -7.710
313 HB2 SER 45 1HB SER 45 -3.099 18.885 -6.749
314 HB3 SER 45 2HB SER 45 -2.731 18.068 -8.269
315 HG SER 45 HG SER 45 -3.057 17.032 -5.760
316 H GLY 46 H GLY 46 -0.500 16.980 -5.330
317 HA2 GLY 46 1HA GLY 46 -0.876 18.468 -3.009
318 HA3 GLY 46 2HA GLY 46 0.139 17.038 -3.126
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -30.203 -12.215 -18.023
2 HA2 GLY 1 1HA GLY 1 -31.382 -11.032 -19.968
3 HA3 GLY 1 2HA GLY 1 -31.693 -9.784 -18.771
4 H SER 2 H SER 2 -30.278 -8.175 -18.645
5 HA SER 2 HA SER 2 -28.210 -7.745 -20.368
6 HB2 SER 2 1HB SER 2 -27.359 -6.070 -18.753
7 HB3 SER 2 2HB SER 2 -29.111 -5.981 -18.941
8 HG SER 2 HG SER 2 -29.248 -6.319 -16.883
9 H SER 3 H SER 3 -25.942 -7.896 -20.271
10 HA SER 3 HA SER 3 -25.001 -10.155 -18.658
11 HB2 SER 3 1HB SER 3 -23.091 -10.203 -20.250
12 HB3 SER 3 2HB SER 3 -24.649 -10.381 -21.055
13 HG SER 3 HG SER 3 -24.187 -7.815 -20.992
14 H GLY 4 H GLY 4 -23.557 -9.921 -17.065
15 HA2 GLY 4 1HA GLY 4 -21.622 -7.827 -16.982
16 HA3 GLY 4 2HA GLY 4 -22.962 -7.491 -15.896
17 H SER 5 H SER 5 -20.390 -7.792 -14.943
18 HA SER 5 HA SER 5 -20.519 -10.407 -13.589
19 HB2 SER 5 1HB SER 5 -18.069 -10.257 -13.318
20 HB3 SER 5 2HB SER 5 -18.538 -10.233 -15.018
21 HG SER 5 HG SER 5 -17.135 -8.419 -13.656
22 H SER 6 H SER 6 -21.856 -9.563 -11.940
23 HA SER 6 HA SER 6 -20.782 -7.410 -10.291
24 HB2 SER 6 1HB SER 6 -22.916 -7.398 -9.179
25 HB3 SER 6 2HB SER 6 -23.219 -7.502 -10.913
26 HG SER 6 HG SER 6 -23.846 -9.261 -8.936
27 H GLY 7 H GLY 7 -19.972 -7.663 -8.268
28 HA2 GLY 7 1HA GLY 7 -19.189 -10.332 -7.491
29 HA3 GLY 7 2HA GLY 7 -18.746 -8.835 -6.683
30 H THR 8 H THR 8 -19.567 -11.272 -5.424
31 HA THR 8 HA THR 8 -21.866 -10.232 -3.935
32 HB THR 8 HB THR 8 -22.845 -12.517 -3.795
33 HG1 THR 8 HG1 THR 8 -21.310 -13.931 -4.380
34 HG21 THR 8 3HG2 THR 8 -23.928 -11.074 -5.309
35 HG22 THR 8 1HG2 THR 8 -23.655 -12.560 -6.217
36 HG23 THR 8 2HG2 THR 8 -22.605 -11.165 -6.472
37 H GLY 9 H GLY 9 -21.896 -10.754 -1.758
38 HA2 GLY 9 1HA GLY 9 -21.118 -12.225 0.046
39 HA3 GLY 9 2HA GLY 9 -19.568 -12.289 -0.780
40 H GLU 10 H GLU 10 -18.060 -10.743 -0.386
41 HA GLU 10 HA GLU 10 -18.857 -8.447 1.266
42 HB2 GLU 10 1HB GLU 10 -17.821 -10.387 2.590
43 HB3 GLU 10 2HB GLU 10 -16.315 -9.976 1.782
44 HG2 GLU 10 1HG GLU 10 -16.368 -8.945 3.945
45 HG3 GLU 10 2HG GLU 10 -16.473 -7.698 2.704
46 H LYS 11 H LYS 11 -17.377 -6.650 1.193
47 HA LYS 11 HA LYS 11 -15.938 -6.531 -1.364
48 HB2 LYS 11 1HB LYS 11 -17.831 -4.887 -0.704
49 HB3 LYS 11 2HB LYS 11 -16.619 -4.147 0.333
50 HG2 LYS 11 1HG LYS 11 -15.304 -3.482 -1.473
51 HG3 LYS 11 2HG LYS 11 -16.102 -4.599 -2.583
52 HD2 LYS 11 1HD LYS 11 -17.727 -2.472 -1.271
53 HD3 LYS 11 2HD LYS 11 -16.660 -2.024 -2.604
54 HE2 LYS 11 1HE LYS 11 -17.735 -3.755 -3.998
55 HE3 LYS 11 2HE LYS 11 -18.838 -4.112 -2.669
56 HZ1 LYS 11 3HZ LYS 11 -20.057 -2.296 -3.086
57 HZ2 LYS 11 1HZ LYS 11 -19.350 -2.357 -4.622
58 HZ3 LYS 11 2HZ LYS 11 -18.716 -1.327 -3.440
59 H ARG 12 H ARG 12 -14.531 -7.886 0.479
60 HA ARG 12 HA ARG 12 -12.847 -6.235 2.085
61 HB2 ARG 12 1HB ARG 12 -12.460 -9.088 1.158
62 HB3 ARG 12 2HB ARG 12 -11.520 -8.286 2.410
63 HG2 ARG 12 1HG ARG 12 -13.383 -8.172 3.864
64 HG3 ARG 12 2HG ARG 12 -14.498 -8.643 2.580
65 HD2 ARG 12 1HD ARG 12 -12.985 -10.784 2.486
66 HD3 ARG 12 2HD ARG 12 -12.568 -10.305 4.131
67 HE ARG 12 HE ARG 12 -15.042 -11.437 3.238
68 HH11 ARG 12 1HH1 ARG 12 -13.563 -9.379 5.625
69 HH12 ARG 12 2HH1 ARG 12 -14.791 -9.656 6.815
70 HH21 ARG 12 1HH2 ARG 12 -16.665 -11.811 4.797
71 HH22 ARG 12 2HH2 ARG 12 -16.555 -11.041 6.343
72 H TYR 13 H TYR 13 -11.483 -4.825 1.203
73 HA TYR 13 HA TYR 13 -10.379 -5.177 -1.419
74 HB2 TYR 13 1HB TYR 13 -9.546 -3.138 0.647
75 HB3 TYR 13 2HB TYR 13 -9.357 -3.034 -1.100
76 HD1 TYR 13 HD2 TYR 13 -11.339 -2.644 -2.536
77 HD2 TYR 13 HD1 TYR 13 -11.600 -2.538 1.709
78 HE1 TYR 13 HE2 TYR 13 -13.494 -1.471 -2.704
79 HE2 TYR 13 HE1 TYR 13 -13.757 -1.366 1.553
80 HH TYR 13 HH TYR 13 -15.126 -0.209 0.137
81 H LYS 14 H LYS 14 -8.756 -6.510 -1.829
82 HA LYS 14 HA LYS 14 -6.889 -7.267 0.260
83 HB2 LYS 14 1HB LYS 14 -7.906 -8.891 -1.403
84 HB3 LYS 14 2HB LYS 14 -6.875 -8.157 -2.624
85 HG2 LYS 14 1HG LYS 14 -4.994 -8.705 -0.852
86 HG3 LYS 14 2HG LYS 14 -6.166 -9.925 -0.350
87 HD2 LYS 14 1HD LYS 14 -5.027 -11.119 -1.930
88 HD3 LYS 14 2HD LYS 14 -6.260 -10.382 -2.956
89 HE2 LYS 14 1HE LYS 14 -4.583 -8.497 -3.324
90 HE3 LYS 14 2HE LYS 14 -3.386 -9.574 -2.608
91 HZ1 LYS 14 3HZ LYS 14 -3.163 -10.556 -4.562
92 HZ2 LYS 14 1HZ LYS 14 -4.326 -9.534 -5.244
93 HZ3 LYS 14 2HZ LYS 14 -4.793 -11.005 -4.553
94 H CYS 15 H CYS 15 -4.758 -6.739 0.358
95 HA CYS 15 HA CYS 15 -3.906 -4.417 -1.097
96 HB2 CYS 15 1HB CYS 15 -3.335 -4.900 1.310
97 HB3 CYS 15 2HB CYS 15 -2.247 -6.159 0.733
98 H ASN 16 H ASN 16 -3.062 -4.460 -3.063
99 HA ASN 16 HA ASN 16 -2.160 -6.880 -4.286
100 HB2 ASN 16 1HB ASN 16 -1.747 -4.079 -5.338
101 HB3 ASN 16 2HB ASN 16 -1.838 -5.577 -6.261
102 HD21 ASN 16 1HD2 ASN 16 -3.859 -6.599 -6.507
103 HD22 ASN 16 2HD2 ASN 16 -5.333 -5.716 -6.324
104 H GLU 17 H GLU 17 -0.703 -4.892 -2.105
105 HA GLU 17 HA GLU 17 1.969 -4.993 -3.244
106 HB2 GLU 17 1HB GLU 17 1.091 -4.019 -0.520
107 HB3 GLU 17 2HB GLU 17 2.657 -3.750 -1.273
108 HG2 GLU 17 1HG GLU 17 0.013 -2.674 -2.227
109 HG3 GLU 17 2HG GLU 17 1.283 -1.764 -1.411
110 H CYS 18 H CYS 18 0.374 -6.178 -0.283
111 HA CYS 18 HA CYS 18 2.426 -8.288 -0.138
112 HB2 CYS 18 1HB CYS 18 1.858 -8.388 2.305
113 HB3 CYS 18 2HB CYS 18 2.596 -6.873 1.793
114 H GLY 19 H GLY 19 -1.004 -7.586 0.490
115 HA2 GLY 19 1HA GLY 19 -2.433 -9.349 -0.714
116 HA3 GLY 19 2HA GLY 19 -1.557 -10.474 0.313
117 H LYS 20 H LYS 20 -1.824 -7.818 2.154
118 HA LYS 20 HA LYS 20 -3.547 -8.857 4.027
119 HB2 LYS 20 1HB LYS 20 -2.867 -5.990 3.384
120 HB3 LYS 20 2HB LYS 20 -3.854 -6.438 4.769
121 HG2 LYS 20 1HG LYS 20 -1.204 -7.744 4.422
122 HG3 LYS 20 2HG LYS 20 -1.269 -6.078 5.002
123 HD2 LYS 20 1HD LYS 20 -2.947 -8.229 6.252
124 HD3 LYS 20 2HD LYS 20 -1.269 -7.978 6.739
125 HE2 LYS 20 1HE LYS 20 -1.999 -5.494 6.993
126 HE3 LYS 20 2HE LYS 20 -3.628 -6.165 7.049
127 HZ1 LYS 20 3HZ LYS 20 -2.909 -6.028 9.263
128 HZ2 LYS 20 1HZ LYS 20 -1.385 -6.674 8.911
129 HZ3 LYS 20 2HZ LYS 20 -2.755 -7.664 8.859
130 H VAL 21 H VAL 21 -5.612 -7.454 4.726
131 HA VAL 21 HA VAL 21 -7.325 -6.860 2.452
132 HB VAL 21 HB VAL 21 -9.119 -8.364 3.693
133 HG11 VAL 21 1HG1 VAL 21 -7.148 -9.796 1.953
134 HG12 VAL 21 2HG1 VAL 21 -8.910 -9.902 1.967
135 HG13 VAL 21 3HG1 VAL 21 -8.117 -8.468 1.313
136 HG21 VAL 21 3HG2 VAL 21 -8.004 -10.520 4.374
137 HG22 VAL 21 1HG2 VAL 21 -6.481 -9.630 4.396
138 HG23 VAL 21 2HG2 VAL 21 -7.788 -9.168 5.487
139 H PHE 22 H PHE 22 -9.076 -5.554 2.955
140 HA PHE 22 HA PHE 22 -9.557 -4.869 5.748
141 HB2 PHE 22 1HB PHE 22 -9.041 -2.673 3.749
142 HB3 PHE 22 2HB PHE 22 -9.167 -2.545 5.500
143 HD1 PHE 22 HD2 PHE 22 -7.099 -4.265 2.915
144 HD2 PHE 22 HD1 PHE 22 -7.228 -2.340 6.709
145 HE1 PHE 22 HE2 PHE 22 -4.655 -4.473 3.100
146 HE2 PHE 22 HE1 PHE 22 -4.784 -2.544 6.900
147 HZ PHE 22 HZ PHE 22 -3.494 -3.613 5.095
148 H SER 23 H SER 23 -11.631 -4.293 6.162
149 HA SER 23 HA SER 23 -13.569 -4.742 4.100
150 HB2 SER 23 1HB SER 23 -13.812 -3.919 6.997
151 HB3 SER 23 2HB SER 23 -15.208 -4.147 5.943
152 HG SER 23 HG SER 23 -14.419 -6.309 5.590
153 H ARG 24 H ARG 24 -11.897 -2.016 5.270
154 HA ARG 24 HA ARG 24 -13.799 -0.228 3.902
155 HB2 ARG 24 1HB ARG 24 -12.201 0.151 6.409
156 HB3 ARG 24 2HB ARG 24 -12.641 1.546 5.433
157 HG2 ARG 24 1HG ARG 24 -14.725 -0.416 6.296
158 HG3 ARG 24 2HG ARG 24 -14.161 0.844 7.395
159 HD2 ARG 24 1HD ARG 24 -16.015 1.803 6.357
160 HD3 ARG 24 2HD ARG 24 -14.645 2.465 5.466
161 HE ARG 24 HE ARG 24 -15.732 0.074 4.300
162 HH11 ARG 24 1HH1 ARG 24 -15.995 3.541 4.488
163 HH12 ARG 24 2HH1 ARG 24 -16.769 3.696 2.945
164 HH21 ARG 24 1HH2 ARG 24 -16.751 0.266 2.268
165 HH22 ARG 24 2HH2 ARG 24 -17.200 1.833 1.684
166 H ASN 25 H ASN 25 -13.021 0.509 2.048
167 HA ASN 25 HA ASN 25 -10.441 0.168 1.104
168 HB2 ASN 25 1HB ASN 25 -12.345 0.669 -0.356
169 HB3 ASN 25 2HB ASN 25 -12.440 2.296 0.309
170 HD21 ASN 25 1HD2 ASN 25 -12.069 3.354 -1.587
171 HD22 ASN 25 2HD2 ASN 25 -10.556 3.310 -2.421
172 H SER 26 H SER 26 -11.852 2.911 2.818
173 HA SER 26 HA SER 26 -9.699 4.692 2.523
174 HB2 SER 26 1HB SER 26 -10.675 5.900 4.425
175 HB3 SER 26 2HB SER 26 -11.929 5.399 3.291
176 HG SER 26 HG SER 26 -11.353 3.605 5.317
177 H GLN 27 H GLN 27 -9.981 1.829 4.326
178 HA GLN 27 HA GLN 27 -7.915 2.587 6.242
179 HB2 GLN 27 1HB GLN 27 -9.574 0.083 5.932
180 HB3 GLN 27 2HB GLN 27 -8.310 0.270 7.141
181 HG2 GLN 27 1HG GLN 27 -10.804 1.938 6.904
182 HG3 GLN 27 2HG GLN 27 -10.495 0.680 8.100
183 HE21 GLN 27 1HE2 GLN 27 -9.673 1.287 9.973
184 HE22 GLN 27 2HE2 GLN 27 -8.906 2.800 10.300
185 H LEU 28 H LEU 28 -8.399 0.562 3.423
186 HA LEU 28 HA LEU 28 -5.916 -0.827 3.625
187 HB2 LEU 28 1HB LEU 28 -7.380 -1.996 2.324
188 HB3 LEU 28 2HB LEU 28 -8.063 -0.543 1.598
189 HG LEU 28 HG LEU 28 -5.864 -0.363 0.308
190 HD11 LEU 28 1HD1 LEU 28 -4.478 -1.858 1.522
191 HD12 LEU 28 2HD1 LEU 28 -4.776 -2.596 -0.051
192 HD13 LEU 28 3HD1 LEU 28 -5.647 -3.170 1.371
193 HD21 LEU 28 3HD2 LEU 28 -7.144 -2.836 -0.615
194 HD22 LEU 28 1HD2 LEU 28 -6.934 -1.288 -1.434
195 HD23 LEU 28 2HD2 LEU 28 -8.256 -1.506 -0.288
196 H SER 29 H SER 29 -7.033 1.968 1.746
197 HA SER 29 HA SER 29 -4.764 2.426 0.224
198 HB2 SER 29 1HB SER 29 -6.978 4.139 1.245
199 HB3 SER 29 2HB SER 29 -5.557 4.950 0.586
200 HG SER 29 HG SER 29 -5.994 3.203 -1.184
201 H GLN 30 H GLN 30 -5.478 3.437 3.535
202 HA GLN 30 HA GLN 30 -3.172 5.036 3.884
203 HB2 GLN 30 1HB GLN 30 -4.959 3.629 5.869
204 HB3 GLN 30 2HB GLN 30 -3.650 4.706 6.339
205 HG2 GLN 30 1HG GLN 30 -4.748 6.506 5.017
206 HG3 GLN 30 2HG GLN 30 -6.107 5.414 4.757
207 HE21 GLN 30 1HE2 GLN 30 -5.501 8.011 6.346
208 HE22 GLN 30 2HE2 GLN 30 -6.270 7.715 7.864
209 H HIS 31 H HIS 31 -3.573 1.684 3.656
210 HA HIS 31 HA HIS 31 -1.190 1.069 5.224
211 HB2 HIS 31 1HB HIS 31 -2.865 -0.531 5.597
212 HB3 HIS 31 2HB HIS 31 -3.307 -0.600 3.894
213 HD1 HIS 31 HD1 HIS 31 -0.321 -1.512 6.072
214 HD2 HIS 31 HD2 HIS 31 -2.264 -2.740 2.611
215 HE1 HIS 31 HE1 HIS 31 0.865 -3.605 5.342
216 H GLN 32 H GLN 32 -2.375 0.680 1.892
217 HA GLN 32 HA GLN 32 -0.235 -0.490 0.682
218 HB2 GLN 32 1HB GLN 32 -2.074 1.679 -0.302
219 HB3 GLN 32 2HB GLN 32 -0.837 0.979 -1.338
220 HG2 GLN 32 1HG GLN 32 -1.830 -1.227 -1.047
221 HG3 GLN 32 2HG GLN 32 -3.063 -0.535 0.007
222 HE21 GLN 32 1HE2 GLN 32 -4.753 -1.154 -1.307
223 HE22 GLN 32 2HE2 GLN 32 -5.068 -0.414 -2.836
224 H LYS 33 H LYS 33 -0.560 2.913 1.568
225 HA LYS 33 HA LYS 33 1.679 3.961 0.322
226 HB2 LYS 33 1HB LYS 33 1.592 5.748 1.924
227 HB3 LYS 33 2HB LYS 33 -0.058 5.263 1.557
228 HG2 LYS 33 1HG LYS 33 0.007 3.860 3.645
229 HG3 LYS 33 2HG LYS 33 1.536 4.654 4.031
230 HD2 LYS 33 1HD LYS 33 -1.002 6.171 3.461
231 HD3 LYS 33 2HD LYS 33 -0.536 5.655 5.083
232 HE2 LYS 33 1HE LYS 33 0.294 7.814 4.986
233 HE3 LYS 33 2HE LYS 33 1.702 6.846 4.552
234 HZ1 LYS 33 3HZ LYS 33 1.687 7.605 2.443
235 HZ2 LYS 33 1HZ LYS 33 0.890 8.927 3.136
236 HZ3 LYS 33 2HZ LYS 33 0.001 7.717 2.357
237 H ILE 34 H ILE 34 1.436 2.115 3.303
238 HA ILE 34 HA ILE 34 3.992 2.562 4.331
239 HB ILE 34 HB ILE 34 3.658 0.738 5.738
240 HG12 ILE 34 1HG1 ILE 34 1.743 -0.965 4.966
241 HG13 ILE 34 2HG1 ILE 34 2.290 -0.444 3.376
242 HG21 ILE 34 1HG2 ILE 34 1.838 1.586 6.681
243 HG22 ILE 34 2HG2 ILE 34 1.475 2.423 5.173
244 HG23 ILE 34 3HG2 ILE 34 0.815 0.815 5.469
245 HD11 ILE 34 3HD1 ILE 34 4.651 -0.973 4.587
246 HD12 ILE 34 1HD1 ILE 34 3.596 -2.159 5.355
247 HD13 ILE 34 2HD1 ILE 34 3.749 -2.122 3.598
248 H HIS 35 H HIS 35 2.977 0.748 1.592
249 HA HIS 35 HA HIS 35 5.394 -0.848 1.463
250 HB2 HIS 35 1HB HIS 35 3.001 -0.577 -0.354
251 HB3 HIS 35 2HB HIS 35 4.400 -1.563 -0.768
252 HD1 HIS 35 HD1 HIS 35 4.969 -3.443 1.197
253 HD2 HIS 35 HD2 HIS 35 1.097 -1.953 0.978
254 HE1 HIS 35 HE1 HIS 35 3.537 -5.110 2.419
255 H THR 36 H THR 36 4.055 2.040 0.005
256 HA THR 36 HA THR 36 6.204 2.254 -1.929
257 HB THR 36 HB THR 36 3.737 3.049 -2.223
258 HG1 THR 36 HG1 THR 36 5.052 3.505 -3.890
259 HG21 THR 36 3HG2 THR 36 3.632 4.461 -0.243
260 HG22 THR 36 1HG2 THR 36 3.432 5.437 -1.697
261 HG23 THR 36 2HG2 THR 36 4.975 5.434 -0.843
262 H GLY 37 H GLY 37 5.490 3.350 1.264
263 HA2 GLY 37 1HA GLY 37 6.891 4.405 2.773
264 HA3 GLY 37 2HA GLY 37 8.105 4.521 1.508
265 H GLU 38 H GLU 38 5.564 6.126 3.186
266 HA GLU 38 HA GLU 38 6.108 8.562 1.620
267 HB2 GLU 38 1HB GLU 38 3.801 7.551 1.290
268 HB3 GLU 38 2HB GLU 38 3.481 7.952 2.972
269 HG2 GLU 38 1HG GLU 38 2.558 9.673 1.624
270 HG3 GLU 38 2HG GLU 38 3.981 10.329 2.431
271 H LYS 39 H LYS 39 7.585 7.808 3.874
272 HA LYS 39 HA LYS 39 6.547 9.234 6.167
273 HB2 LYS 39 1HB LYS 39 8.673 8.598 7.238
274 HB3 LYS 39 2HB LYS 39 7.851 7.212 6.532
275 HG2 LYS 39 1HG LYS 39 9.968 6.802 5.821
276 HG3 LYS 39 2HG LYS 39 9.396 7.786 4.472
277 HD2 LYS 39 1HD LYS 39 10.346 9.785 5.698
278 HD3 LYS 39 2HD LYS 39 11.124 8.635 6.788
279 HE2 LYS 39 1HE LYS 39 12.142 7.574 4.732
280 HE3 LYS 39 2HE LYS 39 11.555 8.968 3.827
281 HZ1 LYS 39 3HZ LYS 39 13.946 8.959 4.800
282 HZ2 LYS 39 1HZ LYS 39 13.175 9.402 6.239
283 HZ3 LYS 39 2HZ LYS 39 13.019 10.372 4.863
284 HA PRO 40 HA PRO 40 8.315 13.169 5.334
285 HB2 PRO 40 1HB PRO 40 8.792 14.043 7.859
286 HB3 PRO 40 2HB PRO 40 7.167 13.929 7.174
287 HG2 PRO 40 1HG PRO 40 8.588 12.034 9.006
288 HG3 PRO 40 2HG PRO 40 6.906 12.594 9.060
289 HD2 PRO 40 1HD PRO 40 7.607 10.182 8.050
290 HD3 PRO 40 2HD PRO 40 6.228 11.113 7.430
291 H SER 41 H SER 41 10.273 13.092 4.369
292 HA SER 41 HA SER 41 12.594 12.033 5.709
293 HB2 SER 41 1HB SER 41 12.270 11.748 3.273
294 HB3 SER 41 2HB SER 41 12.388 13.496 3.065
295 HG SER 41 HG SER 41 14.418 11.852 4.178
296 H GLY 42 H GLY 42 14.199 13.128 6.700
297 HA2 GLY 42 1HA GLY 42 14.339 16.037 6.422
298 HA3 GLY 42 2HA GLY 42 14.034 15.394 8.029
299 HA PRO 43 HA PRO 43 18.645 15.738 7.220
300 HB2 PRO 43 1HB PRO 43 19.177 17.417 9.286
301 HB3 PRO 43 2HB PRO 43 18.737 17.989 7.673
302 HG2 PRO 43 1HG PRO 43 17.027 17.701 10.113
303 HG3 PRO 43 2HG PRO 43 17.083 19.026 8.937
304 HD2 PRO 43 1HD PRO 43 15.164 17.116 8.889
305 HD3 PRO 43 2HD PRO 43 15.770 17.899 7.415
306 H SER 44 H SER 44 16.526 14.867 9.761
307 HA SER 44 HA SER 44 18.424 14.031 11.694
308 HB2 SER 44 1HB SER 44 16.614 13.105 12.865
309 HB3 SER 44 2HB SER 44 15.879 14.432 11.966
310 HG SER 44 HG SER 44 14.578 12.900 11.320
311 H SER 45 H SER 45 18.922 11.829 12.306
312 HA SER 45 HA SER 45 20.183 10.305 10.500
313 HB2 SER 45 1HB SER 45 19.965 8.399 11.987
314 HB3 SER 45 2HB SER 45 20.129 9.865 12.954
315 HG SER 45 HG SER 45 17.544 9.092 12.304
316 H GLY 46 H GLY 46 19.761 8.594 9.109
317 HA2 GLY 46 1HA GLY 46 18.313 6.965 8.119
318 HA3 GLY 46 2HA GLY 46 16.936 7.929 8.632
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -15.724 -21.225 -8.847
2 HA2 GLY 1 1HA GLY 1 -16.601 -21.510 -6.038
3 HA3 GLY 1 2HA GLY 1 -15.849 -20.055 -6.677
4 H SER 2 H SER 2 -17.282 -18.473 -6.814
5 HA SER 2 HA SER 2 -20.098 -19.027 -7.125
6 HB2 SER 2 1HB SER 2 -18.584 -16.415 -6.908
7 HB3 SER 2 2HB SER 2 -20.342 -16.553 -6.947
8 HG SER 2 HG SER 2 -19.659 -16.458 -4.813
9 H SER 3 H SER 3 -18.733 -19.934 -9.338
10 HA SER 3 HA SER 3 -18.500 -19.741 -11.613
11 HB2 SER 3 1HB SER 3 -21.211 -18.439 -11.254
12 HB3 SER 3 2HB SER 3 -20.599 -19.156 -12.745
13 HG SER 3 HG SER 3 -20.430 -21.154 -11.515
14 H GLY 4 H GLY 4 -17.146 -17.673 -10.316
15 HA2 GLY 4 1HA GLY 4 -15.936 -15.905 -11.339
16 HA3 GLY 4 2HA GLY 4 -17.316 -15.602 -12.384
17 H SER 5 H SER 5 -19.264 -14.689 -11.343
18 HA SER 5 HA SER 5 -18.455 -12.685 -9.368
19 HB2 SER 5 1HB SER 5 -20.545 -11.518 -10.034
20 HB3 SER 5 2HB SER 5 -19.469 -11.809 -11.401
21 HG SER 5 HG SER 5 -21.674 -12.342 -11.840
22 H SER 6 H SER 6 -19.307 -12.560 -7.367
23 HA SER 6 HA SER 6 -21.128 -14.715 -6.565
24 HB2 SER 6 1HB SER 6 -20.348 -14.341 -4.301
25 HB3 SER 6 2HB SER 6 -18.950 -14.480 -5.367
26 HG SER 6 HG SER 6 -18.694 -12.716 -3.983
27 H GLY 7 H GLY 7 -20.638 -11.218 -6.110
28 HA2 GLY 7 1HA GLY 7 -22.912 -10.063 -6.590
29 HA3 GLY 7 2HA GLY 7 -23.421 -10.996 -5.190
30 H THR 8 H THR 8 -23.828 -8.455 -4.866
31 HA THR 8 HA THR 8 -21.633 -6.902 -3.973
32 HB THR 8 HB THR 8 -24.512 -6.558 -3.126
33 HG1 THR 8 HG1 THR 8 -23.427 -5.165 -5.305
34 HG21 THR 8 3HG2 THR 8 -23.403 -4.990 -1.895
35 HG22 THR 8 1HG2 THR 8 -23.573 -4.079 -3.395
36 HG23 THR 8 2HG2 THR 8 -22.053 -4.895 -3.026
37 H GLY 9 H GLY 9 -20.720 -6.656 -1.995
38 HA2 GLY 9 1HA GLY 9 -21.076 -6.769 0.462
39 HA3 GLY 9 2HA GLY 9 -21.798 -8.346 0.178
40 H GLU 10 H GLU 10 -19.926 -9.325 -1.698
41 HA GLU 10 HA GLU 10 -17.803 -10.058 0.128
42 HB2 GLU 10 1HB GLU 10 -19.128 -11.554 -1.598
43 HB3 GLU 10 2HB GLU 10 -17.887 -10.992 -2.708
44 HG2 GLU 10 1HG GLU 10 -17.097 -12.146 -0.076
45 HG3 GLU 10 2HG GLU 10 -17.569 -13.213 -1.397
46 H LYS 11 H LYS 11 -17.594 -7.395 -0.479
47 HA LYS 11 HA LYS 11 -15.507 -7.167 -2.518
48 HB2 LYS 11 1HB LYS 11 -17.286 -5.215 -1.109
49 HB3 LYS 11 2HB LYS 11 -15.772 -4.650 -1.804
50 HG2 LYS 11 1HG LYS 11 -17.699 -6.238 -3.449
51 HG3 LYS 11 2HG LYS 11 -17.931 -4.506 -3.204
52 HD2 LYS 11 1HD LYS 11 -15.694 -4.081 -4.104
53 HD3 LYS 11 2HD LYS 11 -15.460 -5.814 -4.344
54 HE2 LYS 11 1HE LYS 11 -17.071 -5.910 -6.041
55 HE3 LYS 11 2HE LYS 11 -17.774 -4.360 -5.583
56 HZ1 LYS 11 3HZ LYS 11 -16.362 -3.283 -6.895
57 HZ2 LYS 11 1HZ LYS 11 -15.935 -4.780 -7.557
58 HZ3 LYS 11 2HZ LYS 11 -15.020 -4.122 -6.296
59 H ARG 12 H ARG 12 -13.810 -8.186 -1.401
60 HA ARG 12 HA ARG 12 -12.891 -6.871 1.056
61 HB2 ARG 12 1HB ARG 12 -12.462 -9.575 -0.141
62 HB3 ARG 12 2HB ARG 12 -11.230 -8.917 0.927
63 HG2 ARG 12 1HG ARG 12 -12.935 -8.634 2.680
64 HG3 ARG 12 2HG ARG 12 -14.126 -9.372 1.608
65 HD2 ARG 12 1HD ARG 12 -11.570 -10.730 2.439
66 HD3 ARG 12 2HD ARG 12 -13.092 -10.912 3.310
67 HE ARG 12 HE ARG 12 -13.892 -12.237 1.599
68 HH11 ARG 12 1HH1 ARG 12 -10.876 -10.768 0.670
69 HH12 ARG 12 2HH1 ARG 12 -10.678 -11.757 -0.739
70 HH21 ARG 12 1HH2 ARG 12 -13.643 -13.546 -0.253
71 HH22 ARG 12 2HH2 ARG 12 -12.253 -13.336 -1.263
72 H TYR 13 H TYR 13 -11.760 -5.102 0.442
73 HA TYR 13 HA TYR 13 -10.121 -4.939 -1.850
74 HB2 TYR 13 1HB TYR 13 -9.704 -3.235 0.590
75 HB3 TYR 13 2HB TYR 13 -9.523 -2.797 -1.105
76 HD1 TYR 13 HD2 TYR 13 -12.026 -3.613 -2.308
77 HD2 TYR 13 HD1 TYR 13 -11.325 -1.859 1.504
78 HE1 TYR 13 HE2 TYR 13 -14.308 -2.695 -2.317
79 HE2 TYR 13 HE1 TYR 13 -13.605 -0.937 1.506
80 HH TYR 13 HH TYR 13 -15.573 -0.889 0.460
81 H LYS 14 H LYS 14 -8.633 -6.578 -1.963
82 HA LYS 14 HA LYS 14 -6.859 -7.125 0.256
83 HB2 LYS 14 1HB LYS 14 -7.700 -8.920 -1.255
84 HB3 LYS 14 2HB LYS 14 -6.777 -8.202 -2.569
85 HG2 LYS 14 1HG LYS 14 -4.723 -8.530 -1.136
86 HG3 LYS 14 2HG LYS 14 -5.736 -9.511 -0.074
87 HD2 LYS 14 1HD LYS 14 -4.868 -11.130 -1.453
88 HD3 LYS 14 2HD LYS 14 -6.356 -10.731 -2.315
89 HE2 LYS 14 1HE LYS 14 -5.011 -9.112 -3.682
90 HE3 LYS 14 2HE LYS 14 -3.564 -9.771 -2.921
91 HZ1 LYS 14 3HZ LYS 14 -3.844 -10.891 -4.965
92 HZ2 LYS 14 1HZ LYS 14 -5.485 -11.188 -4.678
93 HZ3 LYS 14 2HZ LYS 14 -4.308 -11.990 -3.766
94 H CYS 15 H CYS 15 -4.725 -6.591 0.419
95 HA CYS 15 HA CYS 15 -3.831 -4.334 -1.117
96 HB2 CYS 15 1HB CYS 15 -3.392 -4.721 1.357
97 HB3 CYS 15 2HB CYS 15 -2.206 -5.926 0.866
98 H ASN 16 H ASN 16 -3.404 -4.877 -3.207
99 HA ASN 16 HA ASN 16 -2.278 -7.204 -4.179
100 HB2 ASN 16 1HB ASN 16 -2.397 -4.390 -5.180
101 HB3 ASN 16 2HB ASN 16 -1.379 -5.547 -6.033
102 HD21 ASN 16 1HD2 ASN 16 -2.326 -7.275 -7.104
103 HD22 ASN 16 2HD2 ASN 16 -4.015 -7.318 -7.466
104 H GLU 17 H GLU 17 -0.805 -4.774 -2.313
105 HA GLU 17 HA GLU 17 1.875 -5.100 -3.251
106 HB2 GLU 17 1HB GLU 17 0.925 -4.021 -0.592
107 HB3 GLU 17 2HB GLU 17 2.516 -3.791 -1.305
108 HG2 GLU 17 1HG GLU 17 0.076 -2.877 -2.761
109 HG3 GLU 17 2HG GLU 17 0.751 -1.905 -1.455
110 H CYS 18 H CYS 18 0.292 -6.077 -0.205
111 HA CYS 18 HA CYS 18 2.304 -8.210 0.051
112 HB2 CYS 18 1HB CYS 18 1.667 -8.215 2.473
113 HB3 CYS 18 2HB CYS 18 2.391 -6.707 1.926
114 H GLY 19 H GLY 19 -1.150 -7.491 0.341
115 HA2 GLY 19 1HA GLY 19 -2.602 -9.221 -0.721
116 HA3 GLY 19 2HA GLY 19 -1.668 -10.398 0.191
117 H LYS 20 H LYS 20 -2.011 -7.709 2.087
118 HA LYS 20 HA LYS 20 -3.658 -8.969 3.974
119 HB2 LYS 20 1HB LYS 20 -2.621 -6.195 3.597
120 HB3 LYS 20 2HB LYS 20 -3.899 -6.456 4.777
121 HG2 LYS 20 1HG LYS 20 -1.531 -8.243 4.872
122 HG3 LYS 20 2HG LYS 20 -1.347 -6.578 5.432
123 HD2 LYS 20 1HD LYS 20 -2.746 -6.880 7.214
124 HD3 LYS 20 2HD LYS 20 -3.700 -8.119 6.395
125 HE2 LYS 20 1HE LYS 20 -2.235 -9.802 6.947
126 HE3 LYS 20 2HE LYS 20 -0.861 -8.706 7.085
127 HZ1 LYS 20 3HZ LYS 20 -3.022 -9.199 9.037
128 HZ2 LYS 20 1HZ LYS 20 -2.089 -7.789 9.103
129 HZ3 LYS 20 2HZ LYS 20 -1.349 -9.301 9.264
130 H VAL 21 H VAL 21 -5.604 -7.415 4.856
131 HA VAL 21 HA VAL 21 -7.357 -6.659 2.654
132 HB VAL 21 HB VAL 21 -9.225 -8.015 3.864
133 HG11 VAL 21 1HG1 VAL 21 -9.024 -9.712 2.266
134 HG12 VAL 21 2HG1 VAL 21 -8.188 -8.336 1.544
135 HG13 VAL 21 3HG1 VAL 21 -7.262 -9.643 2.283
136 HG21 VAL 21 3HG2 VAL 21 -8.100 -8.837 5.759
137 HG22 VAL 21 1HG2 VAL 21 -8.254 -10.223 4.680
138 HG23 VAL 21 2HG2 VAL 21 -6.715 -9.372 4.808
139 H PHE 22 H PHE 22 -9.163 -5.392 3.305
140 HA PHE 22 HA PHE 22 -9.317 -4.588 6.099
141 HB2 PHE 22 1HB PHE 22 -8.946 -2.512 3.937
142 HB3 PHE 22 2HB PHE 22 -9.011 -2.248 5.677
143 HD1 PHE 22 HD2 PHE 22 -7.030 -4.138 3.146
144 HD2 PHE 22 HD1 PHE 22 -7.036 -1.983 6.816
145 HE1 PHE 22 HE2 PHE 22 -4.581 -4.337 3.262
146 HE2 PHE 22 HE1 PHE 22 -4.586 -2.177 6.938
147 HZ PHE 22 HZ PHE 22 -3.355 -3.356 5.160
148 H SER 23 H SER 23 -11.373 -4.390 6.686
149 HA SER 23 HA SER 23 -13.549 -4.961 5.157
150 HB2 SER 23 1HB SER 23 -13.325 -3.170 7.576
151 HB3 SER 23 2HB SER 23 -14.878 -3.588 6.853
152 HG SER 23 HG SER 23 -14.746 -5.497 7.719
153 H ARG 24 H ARG 24 -12.148 -1.753 5.691
154 HA ARG 24 HA ARG 24 -13.839 -0.738 3.501
155 HB2 ARG 24 1HB ARG 24 -12.629 0.893 5.738
156 HB3 ARG 24 2HB ARG 24 -13.769 1.446 4.519
157 HG2 ARG 24 1HG ARG 24 -14.524 -0.780 6.358
158 HG3 ARG 24 2HG ARG 24 -14.596 0.894 6.913
159 HD2 ARG 24 1HD ARG 24 -16.076 1.453 5.054
160 HD3 ARG 24 2HD ARG 24 -15.985 -0.209 4.473
161 HE ARG 24 HE ARG 24 -17.571 0.784 6.660
162 HH11 ARG 24 1HH1 ARG 24 -16.060 -2.014 5.242
163 HH12 ARG 24 2HH1 ARG 24 -17.127 -3.142 6.010
164 HH21 ARG 24 1HH2 ARG 24 -18.982 -0.691 7.678
165 HH22 ARG 24 2HH2 ARG 24 -18.790 -2.388 7.395
166 H ASN 25 H ASN 25 -12.891 0.761 2.038
167 HA ASN 25 HA ASN 25 -10.184 0.138 1.377
168 HB2 ASN 25 1HB ASN 25 -10.511 1.702 -0.498
169 HB3 ASN 25 2HB ASN 25 -11.846 0.560 -0.370
170 HD21 ASN 25 1HD2 ASN 25 -11.396 3.470 -1.323
171 HD22 ASN 25 2HD2 ASN 25 -12.766 4.300 -0.676
172 H SER 26 H SER 26 -11.830 2.908 2.802
173 HA SER 26 HA SER 26 -9.837 4.816 2.695
174 HB2 SER 26 1HB SER 26 -12.142 5.206 3.545
175 HB3 SER 26 2HB SER 26 -11.715 4.345 5.023
176 HG SER 26 HG SER 26 -11.402 6.491 5.431
177 H GLN 27 H GLN 27 -9.968 1.918 4.560
178 HA GLN 27 HA GLN 27 -7.813 2.774 6.329
179 HB2 GLN 27 1HB GLN 27 -9.472 0.257 6.196
180 HB3 GLN 27 2HB GLN 27 -8.118 0.456 7.300
181 HG2 GLN 27 1HG GLN 27 -9.249 2.410 8.288
182 HG3 GLN 27 2HG GLN 27 -10.626 2.115 7.228
183 HE21 GLN 27 1HE2 GLN 27 -9.943 1.933 10.256
184 HE22 GLN 27 2HE2 GLN 27 -10.698 0.451 10.724
185 H LEU 28 H LEU 28 -8.395 0.694 3.581
186 HA LEU 28 HA LEU 28 -5.917 -0.704 3.701
187 HB2 LEU 28 1HB LEU 28 -7.483 -1.833 2.458
188 HB3 LEU 28 2HB LEU 28 -8.087 -0.366 1.691
189 HG LEU 28 HG LEU 28 -5.833 -0.348 0.441
190 HD11 LEU 28 1HD1 LEU 28 -5.376 -2.549 2.081
191 HD12 LEU 28 2HD1 LEU 28 -4.408 -2.031 0.701
192 HD13 LEU 28 3HD1 LEU 28 -5.685 -3.228 0.482
193 HD21 LEU 28 3HD2 LEU 28 -6.945 -1.184 -1.324
194 HD22 LEU 28 1HD2 LEU 28 -8.307 -1.236 -0.206
195 HD23 LEU 28 2HD2 LEU 28 -7.347 -2.687 -0.493
196 H SER 29 H SER 29 -7.056 2.123 1.891
197 HA SER 29 HA SER 29 -4.824 2.556 0.298
198 HB2 SER 29 1HB SER 29 -6.733 3.865 -0.174
199 HB3 SER 29 2HB SER 29 -6.849 4.446 1.488
200 HG SER 29 HG SER 29 -5.206 5.820 1.141
201 H GLN 30 H GLN 30 -5.439 3.532 3.634
202 HA GLN 30 HA GLN 30 -3.112 5.123 3.924
203 HB2 GLN 30 1HB GLN 30 -4.950 3.782 5.896
204 HB3 GLN 30 2HB GLN 30 -3.542 4.698 6.416
205 HG2 GLN 30 1HG GLN 30 -5.671 5.862 4.649
206 HG3 GLN 30 2HG GLN 30 -5.748 5.920 6.409
207 HE21 GLN 30 1HE2 GLN 30 -5.709 8.201 6.279
208 HE22 GLN 30 2HE2 GLN 30 -4.232 9.050 5.994
209 H HIS 31 H HIS 31 -3.579 1.765 3.754
210 HA HIS 31 HA HIS 31 -1.146 1.139 5.239
211 HB2 HIS 31 1HB HIS 31 -2.861 -0.411 5.697
212 HB3 HIS 31 2HB HIS 31 -3.321 -0.535 4.001
213 HD1 HIS 31 HD1 HIS 31 -0.480 -1.529 6.306
214 HD2 HIS 31 HD2 HIS 31 -2.156 -2.601 2.659
215 HE1 HIS 31 HE1 HIS 31 0.717 -3.627 5.607
216 H GLN 32 H GLN 32 -2.471 0.637 1.971
217 HA GLN 32 HA GLN 32 -0.410 -0.571 0.696
218 HB2 GLN 32 1HB GLN 32 -2.199 1.652 -0.268
219 HB3 GLN 32 2HB GLN 32 -1.050 0.851 -1.330
220 HG2 GLN 32 1HG GLN 32 -2.150 -1.307 -0.812
221 HG3 GLN 32 2HG GLN 32 -3.357 -0.423 0.121
222 HE21 GLN 32 1HE2 GLN 32 -4.772 -1.543 -1.455
223 HE22 GLN 32 2HE2 GLN 32 -5.093 -0.750 -2.956
224 H LYS 33 H LYS 33 -0.614 2.861 1.515
225 HA LYS 33 HA LYS 33 1.608 3.820 0.176
226 HB2 LYS 33 1HB LYS 33 1.628 5.639 1.745
227 HB3 LYS 33 2HB LYS 33 -0.047 5.193 1.447
228 HG2 LYS 33 1HG LYS 33 0.044 3.835 3.556
229 HG3 LYS 33 2HG LYS 33 1.617 4.573 3.872
230 HD2 LYS 33 1HD LYS 33 -0.771 6.283 3.289
231 HD3 LYS 33 2HD LYS 33 -0.515 5.629 4.908
232 HE2 LYS 33 1HE LYS 33 1.373 6.886 5.262
233 HE3 LYS 33 2HE LYS 33 1.750 7.000 3.544
234 HZ1 LYS 33 3HZ LYS 33 -0.662 8.292 3.873
235 HZ2 LYS 33 1HZ LYS 33 0.845 9.006 3.590
236 HZ3 LYS 33 2HZ LYS 33 0.290 8.802 5.175
237 H ILE 34 H ILE 34 1.427 2.141 3.274
238 HA ILE 34 HA ILE 34 3.993 2.502 4.219
239 HB ILE 34 HB ILE 34 3.700 0.617 5.575
240 HG12 ILE 34 1HG1 ILE 34 1.704 -1.004 4.819
241 HG13 ILE 34 2HG1 ILE 34 2.218 -0.450 3.229
242 HG21 ILE 34 1HG2 ILE 34 0.852 0.778 5.419
243 HG22 ILE 34 2HG2 ILE 34 1.940 1.479 6.615
244 HG23 ILE 34 3HG2 ILE 34 1.544 2.378 5.151
245 HD11 ILE 34 3HD1 ILE 34 4.398 -1.300 4.988
246 HD12 ILE 34 1HD1 ILE 34 3.261 -2.572 4.541
247 HD13 ILE 34 2HD1 ILE 34 4.099 -1.657 3.287
248 H HIS 35 H HIS 35 2.922 0.634 1.512
249 HA HIS 35 HA HIS 35 5.402 -0.860 1.309
250 HB2 HIS 35 1HB HIS 35 2.973 -0.733 -0.487
251 HB3 HIS 35 2HB HIS 35 4.369 -1.765 -0.782
252 HD1 HIS 35 HD1 HIS 35 4.864 -3.519 1.279
253 HD2 HIS 35 HD2 HIS 35 1.043 -1.910 1.005
254 HE1 HIS 35 HE1 HIS 35 3.394 -5.041 2.638
255 H THR 36 H THR 36 3.868 1.933 -0.131
256 HA THR 36 HA THR 36 5.765 2.189 -2.271
257 HB THR 36 HB THR 36 4.713 4.357 -2.707
258 HG1 THR 36 HG1 THR 36 4.309 4.967 -0.527
259 HG21 THR 36 3HG2 THR 36 3.313 1.833 -2.580
260 HG22 THR 36 1HG2 THR 36 3.248 3.089 -3.815
261 HG23 THR 36 2HG2 THR 36 2.197 3.186 -2.403
262 H GLY 37 H GLY 37 7.838 2.455 -1.609
263 HA2 GLY 37 1HA GLY 37 8.421 4.921 -0.130
264 HA3 GLY 37 2HA GLY 37 9.083 3.410 0.475
265 H GLU 38 H GLU 38 10.841 5.344 -0.092
266 HA GLU 38 HA GLU 38 11.820 5.013 -2.808
267 HB2 GLU 38 1HB GLU 38 12.978 6.591 -0.503
268 HB3 GLU 38 2HB GLU 38 13.524 6.656 -2.172
269 HG2 GLU 38 1HG GLU 38 12.174 8.568 -1.763
270 HG3 GLU 38 2HG GLU 38 11.268 7.480 -2.813
271 H LYS 39 H LYS 39 11.777 2.678 -1.131
272 HA LYS 39 HA LYS 39 14.546 1.887 -1.445
273 HB2 LYS 39 1HB LYS 39 13.165 1.866 1.239
274 HB3 LYS 39 2HB LYS 39 14.596 0.906 0.887
275 HG2 LYS 39 1HG LYS 39 15.592 2.722 1.808
276 HG3 LYS 39 2HG LYS 39 15.539 3.258 0.127
277 HD2 LYS 39 1HD LYS 39 14.651 5.104 1.134
278 HD3 LYS 39 2HD LYS 39 13.170 4.177 0.882
279 HE2 LYS 39 1HE LYS 39 14.715 3.797 3.405
280 HE3 LYS 39 2HE LYS 39 13.716 5.238 3.220
281 HZ1 LYS 39 3HZ LYS 39 12.923 2.460 3.537
282 HZ2 LYS 39 1HZ LYS 39 12.003 3.370 2.448
283 HZ3 LYS 39 2HZ LYS 39 12.151 3.873 4.056
284 HA PRO 40 HA PRO 40 12.581 -1.853 -2.678
285 HB2 PRO 40 1HB PRO 40 14.691 -3.547 -2.452
286 HB3 PRO 40 2HB PRO 40 14.549 -2.358 -3.752
287 HG2 PRO 40 1HG PRO 40 16.126 -2.208 -1.212
288 HG3 PRO 40 2HG PRO 40 16.600 -1.732 -2.853
289 HD2 PRO 40 1HD PRO 40 15.790 0.061 -0.994
290 HD3 PRO 40 2HD PRO 40 15.483 0.280 -2.729
291 H SER 41 H SER 41 11.242 -1.812 -0.688
292 HA SER 41 HA SER 41 12.148 -3.270 1.616
293 HB2 SER 41 1HB SER 41 10.417 -1.381 1.589
294 HB3 SER 41 2HB SER 41 9.280 -2.583 0.980
295 HG SER 41 HG SER 41 9.429 -2.233 3.359
296 H GLY 42 H GLY 42 9.419 -3.862 -0.614
297 HA2 GLY 42 1HA GLY 42 8.599 -5.821 -1.494
298 HA3 GLY 42 2HA GLY 42 10.142 -6.565 -1.102
299 HA PRO 43 HA PRO 43 6.561 -7.600 1.983
300 HB2 PRO 43 1HB PRO 43 5.201 -9.555 0.680
301 HB3 PRO 43 2HB PRO 43 4.747 -7.848 0.595
302 HG2 PRO 43 1HG PRO 43 6.304 -9.495 -1.361
303 HG3 PRO 43 2HG PRO 43 5.023 -8.308 -1.668
304 HD2 PRO 43 1HD PRO 43 7.650 -7.725 -1.966
305 HD3 PRO 43 2HD PRO 43 6.456 -6.516 -1.450
306 H SER 44 H SER 44 7.848 -9.968 -0.360
307 HA SER 44 HA SER 44 8.630 -12.110 0.004
308 HB2 SER 44 1HB SER 44 10.581 -10.530 0.246
309 HB3 SER 44 2HB SER 44 10.366 -10.634 1.993
310 HG SER 44 HG SER 44 11.928 -12.130 1.025
311 H SER 45 H SER 45 6.314 -11.749 1.501
312 HA SER 45 HA SER 45 6.831 -12.679 4.199
313 HB2 SER 45 1HB SER 45 4.984 -11.048 3.597
314 HB3 SER 45 2HB SER 45 4.144 -12.403 2.843
315 HG SER 45 HG SER 45 5.059 -12.689 5.472
316 H GLY 46 H GLY 46 5.119 -13.898 1.320
317 HA2 GLY 46 1HA GLY 46 5.287 -16.129 0.536
318 HA3 GLY 46 2HA GLY 46 5.838 -16.620 2.131
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -23.792 -28.578 -17.812
2 HA2 GLY 1 1HA GLY 1 -22.649 -26.607 -18.206
3 HA3 GLY 1 2HA GLY 1 -24.070 -25.997 -19.042
4 H SER 2 H SER 2 -22.379 -24.553 -17.219
5 HA SER 2 HA SER 2 -24.144 -24.181 -14.901
6 HB2 SER 2 1HB SER 2 -21.255 -23.502 -15.406
7 HB3 SER 2 2HB SER 2 -22.155 -22.741 -14.094
8 HG SER 2 HG SER 2 -21.726 -25.522 -14.474
9 H SER 3 H SER 3 -25.557 -22.579 -14.994
10 HA SER 3 HA SER 3 -24.832 -20.134 -16.465
11 HB2 SER 3 1HB SER 3 -27.588 -21.385 -16.419
12 HB3 SER 3 2HB SER 3 -27.102 -19.939 -17.304
13 HG SER 3 HG SER 3 -26.961 -22.474 -18.087
14 H GLY 4 H GLY 4 -25.569 -18.190 -15.609
15 HA2 GLY 4 1HA GLY 4 -27.244 -17.213 -13.980
16 HA3 GLY 4 2HA GLY 4 -26.602 -18.396 -12.850
17 H SER 5 H SER 5 -26.618 -15.704 -12.244
18 HA SER 5 HA SER 5 -23.739 -15.157 -12.139
19 HB2 SER 5 1HB SER 5 -24.052 -12.815 -12.642
20 HB3 SER 5 2HB SER 5 -24.781 -13.761 -13.939
21 HG SER 5 HG SER 5 -25.937 -12.004 -12.228
22 H SER 6 H SER 6 -23.018 -14.286 -10.240
23 HA SER 6 HA SER 6 -24.997 -14.145 -8.078
24 HB2 SER 6 1HB SER 6 -21.987 -14.444 -7.948
25 HB3 SER 6 2HB SER 6 -23.073 -14.435 -6.559
26 HG SER 6 HG SER 6 -23.188 -16.302 -8.695
27 H GLY 7 H GLY 7 -24.757 -12.484 -6.434
28 HA2 GLY 7 1HA GLY 7 -24.213 -9.909 -7.649
29 HA3 GLY 7 2HA GLY 7 -24.936 -10.189 -6.072
30 H THR 8 H THR 8 -23.550 -8.488 -5.296
31 HA THR 8 HA THR 8 -20.705 -8.786 -5.357
32 HB THR 8 HB THR 8 -20.766 -6.954 -3.601
33 HG1 THR 8 HG1 THR 8 -22.761 -6.012 -3.189
34 HG21 THR 8 3HG2 THR 8 -20.416 -6.306 -5.855
35 HG22 THR 8 1HG2 THR 8 -21.683 -5.248 -5.237
36 HG23 THR 8 2HG2 THR 8 -22.100 -6.607 -6.280
37 H GLY 9 H GLY 9 -19.437 -9.922 -4.033
38 HA2 GLY 9 1HA GLY 9 -20.660 -11.385 -1.837
39 HA3 GLY 9 2HA GLY 9 -19.038 -11.618 -2.472
40 H GLU 10 H GLU 10 -18.206 -11.662 -0.342
41 HA GLU 10 HA GLU 10 -18.584 -9.732 1.618
42 HB2 GLU 10 1HB GLU 10 -16.164 -11.432 1.009
43 HB3 GLU 10 2HB GLU 10 -16.322 -10.449 2.458
44 HG2 GLU 10 1HG GLU 10 -18.210 -11.729 3.192
45 HG3 GLU 10 2HG GLU 10 -18.239 -12.631 1.678
46 H LYS 11 H LYS 11 -18.247 -7.622 1.535
47 HA LYS 11 HA LYS 11 -16.591 -6.404 -0.450
48 HB2 LYS 11 1HB LYS 11 -18.736 -5.492 0.719
49 HB3 LYS 11 2HB LYS 11 -17.620 -4.955 1.967
50 HG2 LYS 11 1HG LYS 11 -16.637 -3.392 0.612
51 HG3 LYS 11 2HG LYS 11 -17.043 -4.261 -0.870
52 HD2 LYS 11 1HD LYS 11 -19.398 -3.652 -0.575
53 HD3 LYS 11 2HD LYS 11 -18.987 -2.779 0.903
54 HE2 LYS 11 1HE LYS 11 -17.561 -2.092 -1.621
55 HE3 LYS 11 2HE LYS 11 -19.217 -1.529 -1.402
56 HZ1 LYS 11 3HZ LYS 11 -18.550 0.017 0.027
57 HZ2 LYS 11 1HZ LYS 11 -16.963 -0.314 -0.458
58 HZ3 LYS 11 2HZ LYS 11 -17.605 -1.071 0.912
59 H ARG 12 H ARG 12 -14.548 -7.402 0.034
60 HA ARG 12 HA ARG 12 -13.114 -5.967 2.154
61 HB2 ARG 12 1HB ARG 12 -11.797 -8.116 2.535
62 HB3 ARG 12 2HB ARG 12 -13.433 -8.067 3.177
63 HG2 ARG 12 1HG ARG 12 -14.238 -9.555 1.605
64 HG3 ARG 12 2HG ARG 12 -12.926 -9.224 0.472
65 HD2 ARG 12 1HD ARG 12 -11.384 -10.261 2.218
66 HD3 ARG 12 2HD ARG 12 -12.851 -10.847 3.000
67 HE ARG 12 HE ARG 12 -12.650 -11.511 0.203
68 HH11 ARG 12 1HH1 ARG 12 -11.894 -12.481 3.460
69 HH12 ARG 12 2HH1 ARG 12 -11.756 -14.162 3.066
70 HH21 ARG 12 1HH2 ARG 12 -12.472 -13.722 -0.328
71 HH22 ARG 12 2HH2 ARG 12 -12.084 -14.867 0.911
72 H TYR 13 H TYR 13 -11.468 -4.895 1.304
73 HA TYR 13 HA TYR 13 -10.574 -5.402 -1.373
74 HB2 TYR 13 1HB TYR 13 -9.549 -3.489 0.734
75 HB3 TYR 13 2HB TYR 13 -9.013 -3.515 -0.942
76 HD1 TYR 13 HD1 TYR 13 -12.062 -3.093 1.154
77 HD2 TYR 13 HD2 TYR 13 -10.141 -2.255 -2.548
78 HE1 TYR 13 HE1 TYR 13 -13.901 -1.575 0.551
79 HE2 TYR 13 HE2 TYR 13 -11.974 -0.734 -3.162
80 HH TYR 13 HH TYR 13 -14.720 -0.190 -0.973
81 H LYS 14 H LYS 14 -8.159 -5.467 -1.827
82 HA LYS 14 HA LYS 14 -6.710 -7.091 0.140
83 HB2 LYS 14 1HB LYS 14 -7.883 -8.467 -1.704
84 HB3 LYS 14 2HB LYS 14 -6.663 -7.801 -2.782
85 HG2 LYS 14 1HG LYS 14 -4.985 -8.692 -1.014
86 HG3 LYS 14 2HG LYS 14 -6.340 -9.703 -0.505
87 HD2 LYS 14 1HD LYS 14 -6.434 -10.816 -2.556
88 HD3 LYS 14 2HD LYS 14 -5.516 -9.557 -3.386
89 HE2 LYS 14 1HE LYS 14 -4.096 -11.466 -3.104
90 HE3 LYS 14 2HE LYS 14 -3.534 -10.192 -2.023
91 HZ1 LYS 14 3HZ LYS 14 -3.645 -12.469 -1.031
92 HZ2 LYS 14 1HZ LYS 14 -5.330 -12.381 -1.146
93 HZ3 LYS 14 2HZ LYS 14 -4.491 -11.281 -0.173
94 H CYS 15 H CYS 15 -4.696 -6.398 0.444
95 HA CYS 15 HA CYS 15 -3.672 -4.184 -1.024
96 HB2 CYS 15 1HB CYS 15 -3.229 -4.632 1.405
97 HB3 CYS 15 2HB CYS 15 -2.182 -5.960 0.916
98 H ASN 16 H ASN 16 -3.217 -4.590 -3.127
99 HA ASN 16 HA ASN 16 -2.201 -6.930 -4.220
100 HB2 ASN 16 1HB ASN 16 -2.048 -4.057 -5.116
101 HB3 ASN 16 2HB ASN 16 -1.349 -5.360 -6.072
102 HD21 ASN 16 1HD2 ASN 16 -2.645 -6.620 -7.284
103 HD22 ASN 16 2HD2 ASN 16 -4.360 -6.433 -7.393
104 H GLU 17 H GLU 17 -0.654 -4.705 -2.198
105 HA GLU 17 HA GLU 17 2.019 -5.080 -3.183
106 HB2 GLU 17 1HB GLU 17 1.237 -4.079 -0.448
107 HB3 GLU 17 2HB GLU 17 2.724 -3.760 -1.330
108 HG2 GLU 17 1HG GLU 17 -0.011 -2.794 -2.134
109 HG3 GLU 17 2HG GLU 17 1.207 -1.834 -1.296
110 H CYS 18 H CYS 18 0.545 -5.938 -0.047
111 HA CYS 18 HA CYS 18 2.431 -8.176 0.146
112 HB2 CYS 18 1HB CYS 18 1.721 -8.220 2.556
113 HB3 CYS 18 2HB CYS 18 2.516 -6.731 2.057
114 H GLY 19 H GLY 19 -1.018 -7.408 0.468
115 HA2 GLY 19 1HA GLY 19 -2.431 -9.143 -0.725
116 HA3 GLY 19 2HA GLY 19 -1.591 -10.300 0.296
117 H LYS 20 H LYS 20 -1.806 -7.814 2.288
118 HA LYS 20 HA LYS 20 -3.658 -8.867 4.017
119 HB2 LYS 20 1HB LYS 20 -2.786 -6.010 3.607
120 HB3 LYS 20 2HB LYS 20 -3.851 -6.491 4.921
121 HG2 LYS 20 1HG LYS 20 -1.303 -7.974 4.598
122 HG3 LYS 20 2HG LYS 20 -1.230 -6.324 5.221
123 HD2 LYS 20 1HD LYS 20 -1.499 -7.445 7.189
124 HD3 LYS 20 2HD LYS 20 -3.197 -7.220 6.761
125 HE2 LYS 20 1HE LYS 20 -2.609 -9.533 7.501
126 HE3 LYS 20 2HE LYS 20 -3.348 -9.442 5.903
127 HZ1 LYS 20 3HZ LYS 20 -0.509 -9.259 5.757
128 HZ2 LYS 20 1HZ LYS 20 -1.555 -10.342 4.985
129 HZ3 LYS 20 2HZ LYS 20 -0.988 -10.679 6.542
130 H VAL 21 H VAL 21 -5.672 -7.440 4.755
131 HA VAL 21 HA VAL 21 -7.275 -6.657 2.437
132 HB VAL 21 HB VAL 21 -9.208 -7.982 3.640
133 HG11 VAL 21 1HG1 VAL 21 -9.155 -9.047 1.694
134 HG12 VAL 21 2HG1 VAL 21 -7.512 -8.459 1.432
135 HG13 VAL 21 3HG1 VAL 21 -7.778 -10.009 2.232
136 HG21 VAL 21 3HG2 VAL 21 -8.238 -10.216 4.410
137 HG22 VAL 21 1HG2 VAL 21 -6.705 -9.358 4.569
138 HG23 VAL 21 2HG2 VAL 21 -8.102 -8.852 5.520
139 H PHE 22 H PHE 22 -9.196 -5.455 2.999
140 HA PHE 22 HA PHE 22 -9.478 -4.563 5.745
141 HB2 PHE 22 1HB PHE 22 -8.984 -2.513 3.585
142 HB3 PHE 22 2HB PHE 22 -9.119 -2.240 5.319
143 HD1 PHE 22 HD2 PHE 22 -7.051 -4.178 2.895
144 HD2 PHE 22 HD1 PHE 22 -7.188 -1.959 6.525
145 HE1 PHE 22 HE2 PHE 22 -4.610 -4.391 3.113
146 HE2 PHE 22 HE1 PHE 22 -4.746 -2.168 6.748
147 HZ PHE 22 HZ PHE 22 -3.454 -3.386 5.042
148 H SER 23 H SER 23 -11.576 -4.523 6.163
149 HA SER 23 HA SER 23 -13.635 -5.039 4.485
150 HB2 SER 23 1HB SER 23 -15.130 -3.912 6.115
151 HB3 SER 23 2HB SER 23 -13.931 -4.938 6.902
152 HG SER 23 HG SER 23 -13.039 -3.233 7.777
153 H ARG 24 H ARG 24 -12.259 -1.852 5.149
154 HA ARG 24 HA ARG 24 -13.844 -0.783 2.905
155 HB2 ARG 24 1HB ARG 24 -12.741 0.789 5.239
156 HB3 ARG 24 2HB ARG 24 -13.803 1.385 3.970
157 HG2 ARG 24 1HG ARG 24 -15.365 -0.550 4.877
158 HG3 ARG 24 2HG ARG 24 -14.423 -0.276 6.344
159 HD2 ARG 24 1HD ARG 24 -14.958 2.242 5.835
160 HD3 ARG 24 2HD ARG 24 -16.291 1.553 4.909
161 HE ARG 24 HE ARG 24 -16.352 0.344 7.396
162 HH11 ARG 24 1HH1 ARG 24 -16.645 3.562 6.100
163 HH12 ARG 24 2HH1 ARG 24 -17.695 4.116 7.363
164 HH21 ARG 24 1HH2 ARG 24 -17.733 1.061 9.064
165 HH22 ARG 24 2HH2 ARG 24 -18.312 2.692 9.049
166 H ASN 25 H ASN 25 -12.809 0.907 1.637
167 HA ASN 25 HA ASN 25 -10.101 0.219 1.004
168 HB2 ASN 25 1HB ASN 25 -11.638 0.798 -0.784
169 HB3 ASN 25 2HB ASN 25 -11.915 2.386 -0.074
170 HD21 ASN 25 1HD2 ASN 25 -10.989 3.880 -1.260
171 HD22 ASN 25 2HD2 ASN 25 -9.424 3.785 -1.985
172 H SER 26 H SER 26 -11.699 2.791 2.744
173 HA SER 26 HA SER 26 -9.598 4.657 2.796
174 HB2 SER 26 1HB SER 26 -12.040 4.980 3.517
175 HB3 SER 26 2HB SER 26 -11.557 4.267 5.056
176 HG SER 26 HG SER 26 -11.437 6.602 4.966
177 H GLN 27 H GLN 27 -10.031 1.662 4.425
178 HA GLN 27 HA GLN 27 -7.993 2.287 6.423
179 HB2 GLN 27 1HB GLN 27 -9.860 -0.046 6.040
180 HB3 GLN 27 2HB GLN 27 -8.537 -0.089 7.199
181 HG2 GLN 27 1HG GLN 27 -9.552 2.080 8.126
182 HG3 GLN 27 2HG GLN 27 -10.987 1.627 7.207
183 HE21 GLN 27 1HE2 GLN 27 -12.036 -0.356 7.724
184 HE22 GLN 27 2HE2 GLN 27 -11.891 -1.038 9.305
185 H LEU 28 H LEU 28 -8.303 0.840 3.361
186 HA LEU 28 HA LEU 28 -5.958 -0.854 3.660
187 HB2 LEU 28 1HB LEU 28 -7.467 -1.925 2.309
188 HB3 LEU 28 2HB LEU 28 -8.031 -0.427 1.570
189 HG LEU 28 HG LEU 28 -5.786 -0.365 0.366
190 HD11 LEU 28 1HD1 LEU 28 -4.934 -2.791 0.047
191 HD12 LEU 28 2HD1 LEU 28 -5.691 -3.080 1.612
192 HD13 LEU 28 3HD1 LEU 28 -4.417 -1.871 1.460
193 HD21 LEU 28 3HD2 LEU 28 -6.872 -1.188 -1.405
194 HD22 LEU 28 1HD2 LEU 28 -8.212 -1.463 -0.292
195 HD23 LEU 28 2HD2 LEU 28 -7.085 -2.770 -0.653
196 H SER 29 H SER 29 -6.953 1.998 1.791
197 HA SER 29 HA SER 29 -4.626 2.428 0.355
198 HB2 SER 29 1HB SER 29 -6.533 3.753 -0.170
199 HB3 SER 29 2HB SER 29 -6.643 4.375 1.477
200 HG SER 29 HG SER 29 -5.687 5.853 -0.046
201 H GLN 30 H GLN 30 -5.470 3.635 3.590
202 HA GLN 30 HA GLN 30 -3.122 5.092 4.046
203 HB2 GLN 30 1HB GLN 30 -3.725 5.044 6.389
204 HB3 GLN 30 2HB GLN 30 -5.174 5.275 5.419
205 HG2 GLN 30 1HG GLN 30 -5.636 2.844 5.642
206 HG3 GLN 30 2HG GLN 30 -4.266 2.733 6.745
207 HE21 GLN 30 1HE2 GLN 30 -5.297 2.239 8.595
208 HE22 GLN 30 2HE2 GLN 30 -6.468 3.251 9.362
209 H HIS 31 H HIS 31 -3.621 1.740 3.854
210 HA HIS 31 HA HIS 31 -1.275 1.096 5.469
211 HB2 HIS 31 1HB HIS 31 -2.930 -0.473 5.908
212 HB3 HIS 31 2HB HIS 31 -3.487 -0.505 4.237
213 HD1 HIS 31 HD1 HIS 31 -1.003 -2.036 6.548
214 HD2 HIS 31 HD2 HIS 31 -2.036 -2.216 2.528
215 HE1 HIS 31 HE1 HIS 31 0.183 -4.058 5.639
216 H GLN 32 H GLN 32 -2.458 0.576 2.150
217 HA GLN 32 HA GLN 32 -0.291 -0.660 1.029
218 HB2 GLN 32 1HB GLN 32 -2.114 1.434 -0.151
219 HB3 GLN 32 2HB GLN 32 -0.933 0.546 -1.103
220 HG2 GLN 32 1HG GLN 32 -2.036 -1.562 -0.424
221 HG3 GLN 32 2HG GLN 32 -3.267 -0.608 0.404
222 HE21 GLN 32 1HE2 GLN 32 -3.973 -2.380 -1.544
223 HE22 GLN 32 2HE2 GLN 32 -4.527 -1.529 -2.941
224 H LYS 33 H LYS 33 -0.660 2.747 1.807
225 HA LYS 33 HA LYS 33 1.398 3.918 0.443
226 HB2 LYS 33 1HB LYS 33 1.530 5.558 2.231
227 HB3 LYS 33 2HB LYS 33 -0.150 5.122 1.942
228 HG2 LYS 33 1HG LYS 33 0.043 3.526 3.874
229 HG3 LYS 33 2HG LYS 33 1.611 4.259 4.219
230 HD2 LYS 33 1HD LYS 33 0.235 6.492 4.118
231 HD3 LYS 33 2HD LYS 33 -1.128 5.422 4.452
232 HE2 LYS 33 1HE LYS 33 0.032 4.581 6.441
233 HE3 LYS 33 2HE LYS 33 1.383 5.662 6.107
234 HZ1 LYS 33 3HZ LYS 33 0.263 6.999 7.507
235 HZ2 LYS 33 1HZ LYS 33 -1.230 6.254 7.226
236 HZ3 LYS 33 2HZ LYS 33 -0.633 7.391 6.126
237 H ILE 34 H ILE 34 1.607 1.832 3.255
238 HA ILE 34 HA ILE 34 4.212 2.280 4.067
239 HB ILE 34 HB ILE 34 4.185 0.167 5.114
240 HG12 ILE 34 1HG1 ILE 34 2.057 -0.633 3.117
241 HG13 ILE 34 2HG1 ILE 34 3.717 -1.217 3.160
242 HG21 ILE 34 1HG2 ILE 34 2.592 0.930 6.458
243 HG22 ILE 34 2HG2 ILE 34 1.842 1.815 5.131
244 HG23 ILE 34 3HG2 ILE 34 1.396 0.136 5.434
245 HD11 ILE 34 3HD1 ILE 34 3.223 -2.775 4.659
246 HD12 ILE 34 1HD1 ILE 34 2.340 -1.635 5.674
247 HD13 ILE 34 2HD1 ILE 34 1.530 -2.417 4.316
248 H HIS 35 H HIS 35 3.017 0.406 1.347
249 HA HIS 35 HA HIS 35 5.655 -0.605 0.698
250 HB2 HIS 35 1HB HIS 35 3.110 -0.803 -0.921
251 HB3 HIS 35 2HB HIS 35 4.572 -1.763 -1.128
252 HD1 HIS 35 HD1 HIS 35 5.131 -3.417 0.935
253 HD2 HIS 35 HD2 HIS 35 1.276 -1.874 0.785
254 HE1 HIS 35 HE1 HIS 35 3.757 -4.892 2.439
255 H THR 36 H THR 36 3.452 1.899 -0.377
256 HA THR 36 HA THR 36 4.747 2.556 -2.795
257 HB THR 36 HB THR 36 3.496 4.603 -2.776
258 HG1 THR 36 HG1 THR 36 3.016 5.595 -0.966
259 HG21 THR 36 3HG2 THR 36 1.391 3.182 -1.411
260 HG22 THR 36 1HG2 THR 36 2.326 2.084 -2.426
261 HG23 THR 36 2HG2 THR 36 1.580 3.518 -3.131
262 H GLY 37 H GLY 37 5.068 3.882 0.491
263 HA2 GLY 37 1HA GLY 37 6.607 5.369 1.363
264 HA3 GLY 37 2HA GLY 37 7.745 4.294 0.565
265 H GLU 38 H GLU 38 9.017 6.327 0.475
266 HA GLU 38 HA GLU 38 8.178 8.452 -1.227
267 HB2 GLU 38 1HB GLU 38 10.964 7.708 -0.318
268 HB3 GLU 38 2HB GLU 38 10.494 9.239 -1.043
269 HG2 GLU 38 1HG GLU 38 9.155 9.808 0.842
270 HG3 GLU 38 2HG GLU 38 9.351 8.199 1.535
271 H LYS 39 H LYS 39 9.323 9.084 -3.220
272 HA LYS 39 HA LYS 39 10.266 6.778 -4.782
273 HB2 LYS 39 1HB LYS 39 8.994 7.537 -6.715
274 HB3 LYS 39 2HB LYS 39 7.917 7.230 -5.360
275 HG2 LYS 39 1HG LYS 39 8.259 9.804 -4.935
276 HG3 LYS 39 2HG LYS 39 8.657 9.800 -6.654
277 HD2 LYS 39 1HD LYS 39 6.155 8.525 -5.578
278 HD3 LYS 39 2HD LYS 39 6.225 10.229 -6.032
279 HE2 LYS 39 1HE LYS 39 7.172 8.158 -7.960
280 HE3 LYS 39 2HE LYS 39 5.440 8.416 -7.754
281 HZ1 LYS 39 3HZ LYS 39 5.567 10.538 -8.590
282 HZ2 LYS 39 1HZ LYS 39 6.734 9.753 -9.530
283 HZ3 LYS 39 2HZ LYS 39 7.209 10.719 -8.225
284 HA PRO 40 HA PRO 40 13.622 9.410 -5.872
285 HB2 PRO 40 1HB PRO 40 14.415 8.178 -8.157
286 HB3 PRO 40 2HB PRO 40 14.704 7.500 -6.551
287 HG2 PRO 40 1HG PRO 40 12.561 6.832 -8.531
288 HG3 PRO 40 2HG PRO 40 13.537 5.742 -7.528
289 HD2 PRO 40 1HD PRO 40 10.997 6.430 -6.887
290 HD3 PRO 40 2HD PRO 40 12.234 6.093 -5.659
291 H SER 41 H SER 41 14.265 10.996 -7.389
292 HA SER 41 HA SER 41 12.251 12.472 -8.577
293 HB2 SER 41 1HB SER 41 14.403 13.467 -8.079
294 HB3 SER 41 2HB SER 41 15.204 12.407 -9.238
295 HG SER 41 HG SER 41 13.111 14.006 -10.160
296 H GLY 42 H GLY 42 14.355 10.019 -10.011
297 HA2 GLY 42 1HA GLY 42 12.583 9.032 -11.853
298 HA3 GLY 42 2HA GLY 42 13.343 10.390 -12.668
299 HA PRO 43 HA PRO 43 15.938 6.690 -13.552
300 HB2 PRO 43 1HB PRO 43 16.420 7.377 -16.134
301 HB3 PRO 43 2HB PRO 43 14.980 6.485 -15.630
302 HG2 PRO 43 1HG PRO 43 15.293 9.405 -16.207
303 HG3 PRO 43 2HG PRO 43 13.983 8.307 -16.676
304 HD2 PRO 43 1HD PRO 43 13.774 10.014 -14.585
305 HD3 PRO 43 2HD PRO 43 12.969 8.432 -14.610
306 H SER 44 H SER 44 18.171 6.567 -13.760
307 HA SER 44 HA SER 44 19.577 9.131 -13.480
308 HB2 SER 44 1HB SER 44 20.173 6.340 -12.535
309 HB3 SER 44 2HB SER 44 21.464 7.535 -12.666
310 HG SER 44 HG SER 44 19.673 7.250 -10.723
311 H SER 45 H SER 45 21.951 8.967 -14.275
312 HA SER 45 HA SER 45 22.581 7.311 -16.472
313 HB2 SER 45 1HB SER 45 22.447 9.010 -18.280
314 HB3 SER 45 2HB SER 45 20.861 8.576 -17.643
315 HG SER 45 HG SER 45 21.412 10.912 -17.941
316 H GLY 46 H GLY 46 24.626 7.881 -17.474
317 HA2 GLY 46 1HA GLY 46 26.295 9.917 -17.253
318 HA3 GLY 46 2HA GLY 46 26.320 9.341 -15.593
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -12.780 -10.261 -18.392
2 HA2 GLY 1 1HA GLY 1 -12.998 -12.135 -20.563
3 HA3 GLY 1 2HA GLY 1 -11.956 -12.709 -19.269
4 H SER 2 H SER 2 -13.422 -14.432 -18.888
5 HA SER 2 HA SER 2 -16.121 -14.306 -18.425
6 HB2 SER 2 1HB SER 2 -15.885 -16.326 -17.096
7 HB3 SER 2 2HB SER 2 -14.765 -16.395 -18.456
8 HG SER 2 HG SER 2 -13.141 -15.618 -16.966
9 H SER 3 H SER 3 -17.411 -13.432 -16.939
10 HA SER 3 HA SER 3 -16.178 -12.057 -14.674
11 HB2 SER 3 1HB SER 3 -18.893 -11.858 -15.976
12 HB3 SER 3 2HB SER 3 -18.522 -11.064 -14.445
13 HG SER 3 HG SER 3 -17.475 -9.588 -15.502
14 H GLY 4 H GLY 4 -16.188 -12.925 -12.714
15 HA2 GLY 4 1HA GLY 4 -17.829 -15.267 -12.185
16 HA3 GLY 4 2HA GLY 4 -16.554 -14.632 -11.157
17 H SER 5 H SER 5 -19.915 -14.290 -12.106
18 HA SER 5 HA SER 5 -20.414 -12.916 -9.552
19 HB2 SER 5 1HB SER 5 -21.707 -12.270 -12.212
20 HB3 SER 5 2HB SER 5 -22.163 -11.563 -10.663
21 HG SER 5 HG SER 5 -20.615 -10.190 -10.947
22 H SER 6 H SER 6 -21.157 -14.738 -8.520
23 HA SER 6 HA SER 6 -23.631 -15.909 -9.613
24 HB2 SER 6 1HB SER 6 -21.549 -17.417 -9.538
25 HB3 SER 6 2HB SER 6 -21.750 -17.397 -7.786
26 HG SER 6 HG SER 6 -23.998 -17.981 -9.320
27 H GLY 7 H GLY 7 -24.812 -14.293 -8.444
28 HA2 GLY 7 1HA GLY 7 -25.926 -13.437 -6.622
29 HA3 GLY 7 2HA GLY 7 -25.927 -15.105 -6.068
30 H THR 8 H THR 8 -24.835 -15.591 -4.269
31 HA THR 8 HA THR 8 -23.969 -13.824 -2.427
32 HB THR 8 HB THR 8 -22.549 -15.580 -1.444
33 HG1 THR 8 HG1 THR 8 -22.541 -17.631 -2.686
34 HG21 THR 8 3HG2 THR 8 -24.939 -15.705 -1.057
35 HG22 THR 8 1HG2 THR 8 -24.286 -17.332 -1.249
36 HG23 THR 8 2HG2 THR 8 -25.168 -16.573 -2.574
37 H GLY 9 H GLY 9 -22.353 -12.416 -2.181
38 HA2 GLY 9 1HA GLY 9 -19.698 -12.820 -3.012
39 HA3 GLY 9 2HA GLY 9 -20.520 -11.857 -4.231
40 H GLU 10 H GLU 10 -18.406 -11.443 -1.961
41 HA GLU 10 HA GLU 10 -19.645 -9.025 -0.824
42 HB2 GLU 10 1HB GLU 10 -17.564 -10.913 0.219
43 HB3 GLU 10 2HB GLU 10 -17.601 -9.252 0.791
44 HG2 GLU 10 1HG GLU 10 -20.085 -10.903 0.847
45 HG3 GLU 10 2HG GLU 10 -18.860 -11.099 2.099
46 H LYS 11 H LYS 11 -17.797 -7.385 -0.190
47 HA LYS 11 HA LYS 11 -16.010 -7.094 -2.515
48 HB2 LYS 11 1HB LYS 11 -18.060 -5.550 -2.430
49 HB3 LYS 11 2HB LYS 11 -17.261 -4.764 -1.074
50 HG2 LYS 11 1HG LYS 11 -16.695 -3.470 -2.930
51 HG3 LYS 11 2HG LYS 11 -15.269 -4.468 -2.635
52 HD2 LYS 11 1HD LYS 11 -15.672 -5.813 -4.482
53 HD3 LYS 11 2HD LYS 11 -17.385 -5.391 -4.540
54 HE2 LYS 11 1HE LYS 11 -15.156 -3.449 -5.121
55 HE3 LYS 11 2HE LYS 11 -15.981 -4.391 -6.362
56 HZ1 LYS 11 3HZ LYS 11 -16.996 -2.258 -6.247
57 HZ2 LYS 11 1HZ LYS 11 -17.181 -2.354 -4.568
58 HZ3 LYS 11 2HZ LYS 11 -18.086 -3.365 -5.578
59 H ARG 12 H ARG 12 -14.235 -7.922 -1.396
60 HA ARG 12 HA ARG 12 -13.331 -6.351 0.923
61 HB2 ARG 12 1HB ARG 12 -11.937 -8.257 1.517
62 HB3 ARG 12 2HB ARG 12 -13.613 -8.758 1.345
63 HG2 ARG 12 1HG ARG 12 -12.614 -10.446 0.210
64 HG3 ARG 12 2HG ARG 12 -12.811 -9.302 -1.119
65 HD2 ARG 12 1HD ARG 12 -10.446 -8.472 -0.247
66 HD3 ARG 12 2HD ARG 12 -10.359 -10.135 0.334
67 HE ARG 12 HE ARG 12 -10.073 -9.264 -2.346
68 HH11 ARG 12 1HH1 ARG 12 -11.394 -11.845 -0.419
69 HH12 ARG 12 2HH1 ARG 12 -11.247 -13.032 -1.673
70 HH21 ARG 12 1HH2 ARG 12 -9.874 -10.817 -4.005
71 HH22 ARG 12 2HH2 ARG 12 -10.382 -12.446 -3.712
72 H TYR 13 H TYR 13 -11.618 -5.069 0.704
73 HA TYR 13 HA TYR 13 -10.206 -5.015 -1.826
74 HB2 TYR 13 1HB TYR 13 -9.661 -3.245 0.550
75 HB3 TYR 13 2HB TYR 13 -9.354 -2.911 -1.151
76 HD1 TYR 13 HD2 TYR 13 -11.604 -3.061 -2.643
77 HD2 TYR 13 HD1 TYR 13 -11.438 -2.141 1.508
78 HE1 TYR 13 HE2 TYR 13 -13.775 -1.920 -2.815
79 HE2 TYR 13 HE1 TYR 13 -13.610 -0.999 1.348
80 HH TYR 13 HH TYR 13 -14.923 0.096 -1.272
81 H LYS 14 H LYS 14 -8.676 -6.529 -2.046
82 HA LYS 14 HA LYS 14 -6.953 -7.199 0.215
83 HB2 LYS 14 1HB LYS 14 -8.010 -8.970 -1.247
84 HB3 LYS 14 2HB LYS 14 -6.952 -8.429 -2.543
85 HG2 LYS 14 1HG LYS 14 -5.090 -8.834 -0.715
86 HG3 LYS 14 2HG LYS 14 -6.309 -9.934 -0.069
87 HD2 LYS 14 1HD LYS 14 -6.220 -11.324 -1.898
88 HD3 LYS 14 2HD LYS 14 -5.676 -10.040 -2.980
89 HE2 LYS 14 1HE LYS 14 -3.470 -10.162 -2.191
90 HE3 LYS 14 2HE LYS 14 -3.942 -11.069 -0.755
91 HZ1 LYS 14 3HZ LYS 14 -3.779 -12.986 -1.846
92 HZ2 LYS 14 1HZ LYS 14 -2.965 -12.131 -3.058
93 HZ3 LYS 14 2HZ LYS 14 -4.628 -12.411 -3.191
94 H CYS 15 H CYS 15 -4.927 -6.491 0.419
95 HA CYS 15 HA CYS 15 -3.893 -4.483 -1.274
96 HB2 CYS 15 1HB CYS 15 -3.365 -4.843 1.184
97 HB3 CYS 15 2HB CYS 15 -2.288 -6.139 0.675
98 H ASN 16 H ASN 16 -3.030 -4.717 -3.217
99 HA ASN 16 HA ASN 16 -2.174 -7.290 -4.180
100 HB2 ASN 16 1HB ASN 16 -2.406 -4.549 -5.384
101 HB3 ASN 16 2HB ASN 16 -1.528 -5.818 -6.233
102 HD21 ASN 16 1HD2 ASN 16 -2.632 -7.351 -7.301
103 HD22 ASN 16 2HD2 ASN 16 -4.356 -7.453 -7.362
104 H GLU 17 H GLU 17 -0.703 -5.329 -2.138
105 HA GLU 17 HA GLU 17 1.950 -5.468 -3.382
106 HB2 GLU 17 1HB GLU 17 0.967 -3.971 -0.947
107 HB3 GLU 17 2HB GLU 17 2.642 -3.996 -1.481
108 HG2 GLU 17 1HG GLU 17 0.453 -3.102 -3.314
109 HG3 GLU 17 2HG GLU 17 1.165 -2.003 -2.135
110 H CYS 18 H CYS 18 0.339 -6.199 -0.291
111 HA CYS 18 HA CYS 18 2.481 -8.135 0.282
112 HB2 CYS 18 1HB CYS 18 1.687 -7.985 2.647
113 HB3 CYS 18 2HB CYS 18 2.308 -6.466 2.010
114 H GLY 19 H GLY 19 -1.043 -7.687 0.526
115 HA2 GLY 19 1HA GLY 19 -2.354 -9.552 -0.501
116 HA3 GLY 19 2HA GLY 19 -1.309 -10.629 0.413
117 H LYS 20 H LYS 20 -2.325 -7.671 1.881
118 HA LYS 20 HA LYS 20 -3.813 -9.178 3.871
119 HB2 LYS 20 1HB LYS 20 -2.610 -6.463 3.708
120 HB3 LYS 20 2HB LYS 20 -3.997 -6.666 4.771
121 HG2 LYS 20 1HG LYS 20 -2.809 -8.496 5.920
122 HG3 LYS 20 2HG LYS 20 -1.404 -8.194 4.894
123 HD2 LYS 20 1HD LYS 20 -0.823 -6.928 6.702
124 HD3 LYS 20 2HD LYS 20 -1.743 -5.724 5.797
125 HE2 LYS 20 1HE LYS 20 -2.578 -5.559 7.971
126 HE3 LYS 20 2HE LYS 20 -3.768 -6.553 7.132
127 HZ1 LYS 20 3HZ LYS 20 -2.718 -7.217 9.468
128 HZ2 LYS 20 1HZ LYS 20 -1.597 -7.972 8.451
129 HZ3 LYS 20 2HZ LYS 20 -3.239 -8.365 8.340
130 H VAL 21 H VAL 21 -5.786 -7.791 4.777
131 HA VAL 21 HA VAL 21 -7.421 -6.797 2.561
132 HB VAL 21 HB VAL 21 -9.349 -8.155 3.767
133 HG11 VAL 21 1HG1 VAL 21 -9.318 -9.643 1.980
134 HG12 VAL 21 2HG1 VAL 21 -8.404 -8.263 1.368
135 HG13 VAL 21 3HG1 VAL 21 -7.556 -9.703 1.934
136 HG21 VAL 21 3HG2 VAL 21 -6.840 -9.678 4.418
137 HG22 VAL 21 1HG2 VAL 21 -8.148 -9.199 5.500
138 HG23 VAL 21 2HG2 VAL 21 -8.415 -10.463 4.300
139 H PHE 22 H PHE 22 -9.236 -5.528 3.224
140 HA PHE 22 HA PHE 22 -9.322 -4.760 6.045
141 HB2 PHE 22 1HB PHE 22 -9.144 -2.711 3.831
142 HB3 PHE 22 2HB PHE 22 -9.177 -2.403 5.564
143 HD1 PHE 22 HD2 PHE 22 -7.166 -4.176 2.979
144 HD2 PHE 22 HD1 PHE 22 -7.192 -2.096 6.692
145 HE1 PHE 22 HE2 PHE 22 -4.708 -4.249 3.033
146 HE2 PHE 22 HE1 PHE 22 -4.733 -2.165 6.751
147 HZ PHE 22 HZ PHE 22 -3.487 -3.244 4.921
148 H SER 23 H SER 23 -11.284 -3.808 6.707
149 HA SER 23 HA SER 23 -13.572 -4.747 5.304
150 HB2 SER 23 1HB SER 23 -14.855 -3.623 7.098
151 HB3 SER 23 2HB SER 23 -13.553 -4.621 7.744
152 HG SER 23 HG SER 23 -13.215 -1.858 7.254
153 H ARG 24 H ARG 24 -11.935 -1.667 5.528
154 HA ARG 24 HA ARG 24 -13.789 -0.600 3.510
155 HB2 ARG 24 1HB ARG 24 -12.619 1.020 5.777
156 HB3 ARG 24 2HB ARG 24 -13.756 1.578 4.557
157 HG2 ARG 24 1HG ARG 24 -14.548 -0.716 6.268
158 HG3 ARG 24 2HG ARG 24 -14.541 0.901 6.975
159 HD2 ARG 24 1HD ARG 24 -16.735 0.452 6.117
160 HD3 ARG 24 2HD ARG 24 -15.970 1.668 5.095
161 HE ARG 24 HE ARG 24 -15.632 -1.017 4.133
162 HH11 ARG 24 1HH1 ARG 24 -17.727 1.764 4.170
163 HH12 ARG 24 2HH1 ARG 24 -18.517 1.351 2.685
164 HH21 ARG 24 1HH2 ARG 24 -16.666 -1.571 2.177
165 HH22 ARG 24 2HH2 ARG 24 -17.913 -0.547 1.552
166 H ASN 25 H ASN 25 -12.881 0.660 1.914
167 HA ASN 25 HA ASN 25 -10.205 0.185 1.236
168 HB2 ASN 25 1HB ASN 25 -10.556 1.640 -0.622
169 HB3 ASN 25 2HB ASN 25 -12.086 0.817 -0.334
170 HD21 ASN 25 1HD2 ASN 25 -10.402 3.820 -0.304
171 HD22 ASN 25 2HD2 ASN 25 -11.769 4.830 0.008
172 H SER 26 H SER 26 -11.749 2.905 2.856
173 HA SER 26 HA SER 26 -9.653 4.736 2.793
174 HB2 SER 26 1HB SER 26 -11.949 4.272 4.662
175 HB3 SER 26 2HB SER 26 -10.714 5.456 5.089
176 HG SER 26 HG SER 26 -11.404 6.741 3.555
177 H GLN 27 H GLN 27 -9.923 1.772 4.480
178 HA GLN 27 HA GLN 27 -7.845 2.474 6.405
179 HB2 GLN 27 1HB GLN 27 -9.500 -0.026 6.041
180 HB3 GLN 27 2HB GLN 27 -8.245 0.148 7.260
181 HG2 GLN 27 1HG GLN 27 -9.485 2.061 8.209
182 HG3 GLN 27 2HG GLN 27 -10.769 1.771 7.037
183 HE21 GLN 27 1HE2 GLN 27 -9.254 0.708 9.949
184 HE22 GLN 27 2HE2 GLN 27 -10.425 -0.489 10.375
185 H LEU 28 H LEU 28 -8.297 0.718 3.446
186 HA LEU 28 HA LEU 28 -5.821 -0.738 3.625
187 HB2 LEU 28 1HB LEU 28 -7.316 -1.886 2.328
188 HB3 LEU 28 2HB LEU 28 -7.987 -0.420 1.615
189 HG LEU 28 HG LEU 28 -5.773 -0.249 0.338
190 HD11 LEU 28 1HD1 LEU 28 -5.505 -2.890 1.655
191 HD12 LEU 28 2HD1 LEU 28 -4.271 -1.714 1.204
192 HD13 LEU 28 3HD1 LEU 28 -4.984 -2.758 -0.025
193 HD21 LEU 28 3HD2 LEU 28 -6.826 -1.162 -1.432
194 HD22 LEU 28 1HD2 LEU 28 -8.177 -1.295 -0.306
195 HD23 LEU 28 2HD2 LEU 28 -7.134 -2.687 -0.600
196 H SER 29 H SER 29 -7.004 2.045 1.759
197 HA SER 29 HA SER 29 -4.741 2.568 0.255
198 HB2 SER 29 1HB SER 29 -7.116 3.738 0.370
199 HB3 SER 29 2HB SER 29 -6.251 4.878 1.401
200 HG SER 29 HG SER 29 -5.788 5.712 -0.497
201 H GLN 30 H GLN 30 -5.487 3.540 3.569
202 HA GLN 30 HA GLN 30 -3.175 5.160 3.908
203 HB2 GLN 30 1HB GLN 30 -5.079 3.876 5.860
204 HB3 GLN 30 2HB GLN 30 -3.721 4.867 6.376
205 HG2 GLN 30 1HG GLN 30 -4.621 6.762 5.138
206 HG3 GLN 30 2HG GLN 30 -5.975 5.770 4.598
207 HE21 GLN 30 1HE2 GLN 30 -5.530 8.217 6.432
208 HE22 GLN 30 2HE2 GLN 30 -6.516 7.857 7.803
209 H HIS 31 H HIS 31 -3.599 1.824 3.722
210 HA HIS 31 HA HIS 31 -1.288 1.208 5.398
211 HB2 HIS 31 1HB HIS 31 -2.917 -0.401 5.778
212 HB3 HIS 31 2HB HIS 31 -3.439 -0.418 4.096
213 HD1 HIS 31 HD1 HIS 31 -0.457 -1.527 6.173
214 HD2 HIS 31 HD2 HIS 31 -2.448 -2.493 2.657
215 HE1 HIS 31 HE1 HIS 31 0.651 -3.620 5.327
216 H GLN 32 H GLN 32 -2.369 0.649 2.049
217 HA GLN 32 HA GLN 32 -0.104 -0.497 1.006
218 HB2 GLN 32 1HB GLN 32 -1.960 1.493 -0.307
219 HB3 GLN 32 2HB GLN 32 -0.778 0.519 -1.172
220 HG2 GLN 32 1HG GLN 32 -2.010 -1.469 -0.001
221 HG3 GLN 32 2HG GLN 32 -3.324 -0.301 0.131
222 HE21 GLN 32 1HE2 GLN 32 -3.610 -2.606 -1.326
223 HE22 GLN 32 2HE2 GLN 32 -3.715 -2.219 -3.007
224 H LYS 33 H LYS 33 -0.657 2.851 1.834
225 HA LYS 33 HA LYS 33 1.342 4.139 0.439
226 HB2 LYS 33 1HB LYS 33 1.291 5.838 2.144
227 HB3 LYS 33 2HB LYS 33 -0.344 5.235 1.908
228 HG2 LYS 33 1HG LYS 33 0.032 3.745 3.898
229 HG3 LYS 33 2HG LYS 33 1.529 4.638 4.181
230 HD2 LYS 33 1HD LYS 33 -1.188 5.929 3.978
231 HD3 LYS 33 2HD LYS 33 -0.440 5.446 5.502
232 HE2 LYS 33 1HE LYS 33 1.130 7.103 5.413
233 HE3 LYS 33 2HE LYS 33 1.144 7.146 3.651
234 HZ1 LYS 33 3HZ LYS 33 -0.794 8.424 3.600
235 HZ2 LYS 33 1HZ LYS 33 0.117 9.110 4.850
236 HZ3 LYS 33 2HZ LYS 33 -1.183 8.090 5.212
237 H ILE 34 H ILE 34 1.597 2.127 3.302
238 HA ILE 34 HA ILE 34 4.210 2.772 4.070
239 HB ILE 34 HB ILE 34 4.190 0.880 5.425
240 HG12 ILE 34 1HG1 ILE 34 2.204 -0.388 3.527
241 HG13 ILE 34 2HG1 ILE 34 3.921 -0.768 3.609
242 HG21 ILE 34 1HG2 ILE 34 2.437 1.564 6.598
243 HG22 ILE 34 2HG2 ILE 34 1.809 2.378 5.166
244 HG23 ILE 34 3HG2 ILE 34 1.348 0.710 5.506
245 HD11 ILE 34 3HD1 ILE 34 1.722 -1.734 5.224
246 HD12 ILE 34 1HD1 ILE 34 3.346 -2.388 5.009
247 HD13 ILE 34 2HD1 ILE 34 3.056 -1.121 6.201
248 H HIS 35 H HIS 35 3.010 0.861 1.445
249 HA HIS 35 HA HIS 35 5.432 -0.586 0.960
250 HB2 HIS 35 1HB HIS 35 3.021 -0.076 -0.791
251 HB3 HIS 35 2HB HIS 35 4.349 -1.149 -1.221
252 HD1 HIS 35 HD1 HIS 35 4.752 -2.762 1.276
253 HD2 HIS 35 HD2 HIS 35 0.984 -1.726 -0.137
254 HE1 HIS 35 HE1 HIS 35 3.174 -4.454 2.264
255 H THR 36 H THR 36 4.070 2.456 -0.109
256 HA THR 36 HA THR 36 5.302 3.176 -2.351
257 HB THR 36 HB THR 36 4.012 4.730 -0.884
258 HG1 THR 36 HG1 THR 36 4.908 5.835 -2.507
259 HG21 THR 36 3HG2 THR 36 5.779 4.148 1.054
260 HG22 THR 36 1HG2 THR 36 4.831 5.635 1.031
261 HG23 THR 36 2HG2 THR 36 6.494 5.640 0.443
262 H GLY 37 H GLY 37 7.295 3.351 -3.180
263 HA2 GLY 37 1HA GLY 37 9.579 3.376 -1.312
264 HA3 GLY 37 2HA GLY 37 9.543 2.267 -2.675
265 H GLU 38 H GLU 38 8.655 5.702 -2.428
266 HA GLU 38 HA GLU 38 10.957 6.675 -3.740
267 HB2 GLU 38 1HB GLU 38 9.950 7.268 -5.914
268 HB3 GLU 38 2HB GLU 38 10.067 5.529 -5.685
269 HG2 GLU 38 1HG GLU 38 7.647 5.632 -4.906
270 HG3 GLU 38 2HG GLU 38 7.625 7.263 -5.575
271 H LYS 39 H LYS 39 11.089 8.573 -2.755
272 HA LYS 39 HA LYS 39 9.191 10.627 -3.153
273 HB2 LYS 39 1HB LYS 39 8.252 10.896 -0.986
274 HB3 LYS 39 2HB LYS 39 8.013 9.209 -1.424
275 HG2 LYS 39 1HG LYS 39 10.441 9.927 0.129
276 HG3 LYS 39 2HG LYS 39 8.883 9.908 0.958
277 HD2 LYS 39 1HD LYS 39 8.636 7.579 -0.225
278 HD3 LYS 39 2HD LYS 39 10.397 7.666 -0.302
279 HE2 LYS 39 1HE LYS 39 8.754 7.958 2.211
280 HE3 LYS 39 2HE LYS 39 9.570 6.480 1.704
281 HZ1 LYS 39 3HZ LYS 39 11.068 7.433 3.156
282 HZ2 LYS 39 1HZ LYS 39 10.745 9.013 2.644
283 HZ3 LYS 39 2HZ LYS 39 11.648 7.974 1.662
284 HA PRO 40 HA PRO 40 12.740 13.026 -2.178
285 HB2 PRO 40 1HB PRO 40 11.574 15.385 -1.510
286 HB3 PRO 40 2HB PRO 40 11.658 14.792 -3.173
287 HG2 PRO 40 1HG PRO 40 9.385 14.665 -1.229
288 HG3 PRO 40 2HG PRO 40 9.359 15.066 -2.956
289 HD2 PRO 40 1HD PRO 40 8.664 12.623 -2.018
290 HD3 PRO 40 2HD PRO 40 9.435 12.855 -3.600
291 H SER 41 H SER 41 13.891 12.577 -0.403
292 HA SER 41 HA SER 41 13.098 12.045 2.129
293 HB2 SER 41 1HB SER 41 15.596 13.485 1.226
294 HB3 SER 41 2HB SER 41 15.354 12.919 2.878
295 HG SER 41 HG SER 41 15.024 11.155 0.711
296 H GLY 42 H GLY 42 11.580 13.175 3.197
297 HA2 GLY 42 1HA GLY 42 11.458 16.045 3.128
298 HA3 GLY 42 2HA GLY 42 10.446 14.980 4.092
299 HA PRO 43 HA PRO 43 14.040 17.055 6.532
300 HB2 PRO 43 1HB PRO 43 12.851 19.356 7.347
301 HB3 PRO 43 2HB PRO 43 13.816 19.244 5.871
302 HG2 PRO 43 1HG PRO 43 10.842 19.177 6.198
303 HG3 PRO 43 2HG PRO 43 11.815 20.032 4.988
304 HD2 PRO 43 1HD PRO 43 10.562 17.691 4.460
305 HD3 PRO 43 2HD PRO 43 12.101 18.143 3.699
306 H SER 44 H SER 44 13.735 15.515 8.105
307 HA SER 44 HA SER 44 11.513 15.976 9.987
308 HB2 SER 44 1HB SER 44 11.543 13.622 10.519
309 HB3 SER 44 2HB SER 44 11.453 13.787 8.766
310 HG SER 44 HG SER 44 13.946 13.691 9.113
311 H SER 45 H SER 45 11.948 15.616 12.239
312 HA SER 45 HA SER 45 14.599 16.531 12.978
313 HB2 SER 45 1HB SER 45 12.251 17.270 13.946
314 HB3 SER 45 2HB SER 45 12.500 15.885 15.009
315 HG SER 45 HG SER 45 13.743 18.328 14.986
316 H GLY 46 H GLY 46 12.454 13.929 14.162
317 HA2 GLY 46 1HA GLY 46 14.812 12.188 14.373
318 HA3 GLY 46 2HA GLY 46 13.811 12.436 15.796
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -13.471 -25.942 -12.251
2 HA2 GLY 1 1HA GLY 1 -15.682 -26.516 -14.123
3 HA3 GLY 1 2HA GLY 1 -15.887 -26.258 -12.397
4 H SER 2 H SER 2 -17.394 -24.604 -12.722
5 HA SER 2 HA SER 2 -16.190 -22.014 -13.229
6 HB2 SER 2 1HB SER 2 -17.142 -22.984 -15.434
7 HB3 SER 2 2HB SER 2 -18.723 -22.666 -14.719
8 HG SER 2 HG SER 2 -18.168 -20.488 -14.565
9 H SER 3 H SER 3 -16.703 -20.967 -11.427
10 HA SER 3 HA SER 3 -19.078 -21.575 -9.927
11 HB2 SER 3 1HB SER 3 -16.718 -19.783 -9.567
12 HB3 SER 3 2HB SER 3 -18.177 -19.431 -8.641
13 HG SER 3 HG SER 3 -16.347 -21.174 -8.039
14 H GLY 4 H GLY 4 -17.883 -18.733 -11.709
15 HA2 GLY 4 1HA GLY 4 -19.339 -17.446 -13.114
16 HA3 GLY 4 2HA GLY 4 -20.684 -17.913 -12.083
17 H SER 5 H SER 5 -20.540 -15.329 -12.677
18 HA SER 5 HA SER 5 -20.349 -14.068 -10.163
19 HB2 SER 5 1HB SER 5 -17.875 -14.329 -10.935
20 HB3 SER 5 2HB SER 5 -18.257 -13.014 -12.047
21 HG SER 5 HG SER 5 -17.735 -11.851 -10.357
22 H SER 6 H SER 6 -21.801 -12.490 -10.205
23 HA SER 6 HA SER 6 -22.743 -11.504 -12.780
24 HB2 SER 6 1HB SER 6 -24.641 -10.614 -11.542
25 HB3 SER 6 2HB SER 6 -24.373 -12.295 -11.080
26 HG SER 6 HG SER 6 -24.655 -11.147 -9.209
27 H GLY 7 H GLY 7 -21.485 -10.228 -9.713
28 HA2 GLY 7 1HA GLY 7 -20.442 -7.915 -11.154
29 HA3 GLY 7 2HA GLY 7 -21.602 -7.583 -9.876
30 H THR 8 H THR 8 -20.801 -7.212 -7.923
31 HA THR 8 HA THR 8 -18.212 -8.408 -7.204
32 HB THR 8 HB THR 8 -17.527 -6.319 -6.106
33 HG1 THR 8 HG1 THR 8 -18.880 -4.419 -6.951
34 HG21 THR 8 3HG2 THR 8 -17.535 -6.850 -8.840
35 HG22 THR 8 1HG2 THR 8 -16.510 -5.691 -7.993
36 HG23 THR 8 2HG2 THR 8 -18.032 -5.163 -8.711
37 H GLY 9 H GLY 9 -19.236 -9.923 -5.881
38 HA2 GLY 9 1HA GLY 9 -21.182 -9.228 -3.926
39 HA3 GLY 9 2HA GLY 9 -20.276 -10.733 -3.996
40 H GLU 10 H GLU 10 -18.127 -10.767 -3.062
41 HA GLU 10 HA GLU 10 -17.976 -9.870 -0.487
42 HB2 GLU 10 1HB GLU 10 -15.527 -10.227 -0.633
43 HB3 GLU 10 2HB GLU 10 -16.455 -11.550 -1.326
44 HG2 GLU 10 1HG GLU 10 -14.581 -11.085 -2.737
45 HG3 GLU 10 2HG GLU 10 -16.058 -10.607 -3.571
46 H LYS 11 H LYS 11 -16.627 -8.246 0.543
47 HA LYS 11 HA LYS 11 -16.106 -5.876 -1.111
48 HB2 LYS 11 1HB LYS 11 -18.336 -5.759 0.123
49 HB3 LYS 11 2HB LYS 11 -17.396 -5.692 1.608
50 HG2 LYS 11 1HG LYS 11 -16.580 -3.589 1.159
51 HG3 LYS 11 2HG LYS 11 -16.817 -3.753 -0.583
52 HD2 LYS 11 1HD LYS 11 -19.343 -3.866 0.052
53 HD3 LYS 11 2HD LYS 11 -18.809 -3.105 1.553
54 HE2 LYS 11 1HE LYS 11 -17.931 -1.228 0.377
55 HE3 LYS 11 2HE LYS 11 -18.144 -2.027 -1.180
56 HZ1 LYS 11 3HZ LYS 11 -19.856 -0.283 -0.433
57 HZ2 LYS 11 1HZ LYS 11 -20.468 -1.511 0.557
58 HZ3 LYS 11 2HZ LYS 11 -20.418 -1.723 -1.121
59 H ARG 12 H ARG 12 -14.192 -7.705 -0.263
60 HA ARG 12 HA ARG 12 -12.821 -6.280 1.919
61 HB2 ARG 12 1HB ARG 12 -12.418 -9.102 0.910
62 HB3 ARG 12 2HB ARG 12 -11.481 -8.344 2.190
63 HG2 ARG 12 1HG ARG 12 -13.725 -8.009 3.376
64 HG3 ARG 12 2HG ARG 12 -14.356 -9.179 2.215
65 HD2 ARG 12 1HD ARG 12 -12.484 -10.714 2.942
66 HD3 ARG 12 2HD ARG 12 -12.181 -9.578 4.256
67 HE ARG 12 HE ARG 12 -14.806 -10.104 4.532
68 HH11 ARG 12 1HH1 ARG 12 -12.018 -12.157 4.175
69 HH12 ARG 12 2HH1 ARG 12 -12.695 -13.457 5.099
70 HH21 ARG 12 1HH2 ARG 12 -15.708 -11.808 5.750
71 HH22 ARG 12 2HH2 ARG 12 -14.795 -13.258 5.994
72 H TYR 13 H TYR 13 -11.587 -4.754 0.990
73 HA TYR 13 HA TYR 13 -10.363 -5.019 -1.556
74 HB2 TYR 13 1HB TYR 13 -9.648 -3.083 0.653
75 HB3 TYR 13 2HB TYR 13 -9.277 -2.909 -1.059
76 HD1 TYR 13 HD1 TYR 13 -11.930 -2.751 1.475
77 HD2 TYR 13 HD2 TYR 13 -10.962 -2.189 -2.630
78 HE1 TYR 13 HE1 TYR 13 -14.051 -1.550 1.146
79 HE2 TYR 13 HE2 TYR 13 -13.079 -0.985 -2.970
80 HH TYR 13 HH TYR 13 -15.612 -1.137 -1.035
81 H LYS 14 H LYS 14 -8.779 -6.405 -1.968
82 HA LYS 14 HA LYS 14 -6.928 -7.226 0.105
83 HB2 LYS 14 1HB LYS 14 -7.973 -8.740 -1.696
84 HB3 LYS 14 2HB LYS 14 -6.796 -8.029 -2.793
85 HG2 LYS 14 1HG LYS 14 -5.078 -8.741 -0.972
86 HG3 LYS 14 2HG LYS 14 -6.363 -9.839 -0.463
87 HD2 LYS 14 1HD LYS 14 -5.139 -11.124 -1.964
88 HD3 LYS 14 2HD LYS 14 -6.462 -10.508 -2.958
89 HE2 LYS 14 1HE LYS 14 -3.936 -8.938 -2.800
90 HE3 LYS 14 2HE LYS 14 -3.959 -10.402 -3.781
91 HZ1 LYS 14 3HZ LYS 14 -6.191 -9.236 -4.611
92 HZ2 LYS 14 1HZ LYS 14 -4.687 -8.968 -5.337
93 HZ3 LYS 14 2HZ LYS 14 -5.294 -7.858 -4.215
94 H CYS 15 H CYS 15 -4.775 -6.756 0.213
95 HA CYS 15 HA CYS 15 -3.895 -4.411 -1.228
96 HB2 CYS 15 1HB CYS 15 -3.466 -4.933 1.253
97 HB3 CYS 15 2HB CYS 15 -2.222 -6.037 0.676
98 H ASN 16 H ASN 16 -3.157 -4.649 -3.235
99 HA ASN 16 HA ASN 16 -2.142 -7.046 -4.310
100 HB2 ASN 16 1HB ASN 16 -2.095 -4.182 -5.233
101 HB3 ASN 16 2HB ASN 16 -1.286 -5.448 -6.152
102 HD21 ASN 16 1HD2 ASN 16 -2.779 -4.846 -7.841
103 HD22 ASN 16 2HD2 ASN 16 -4.372 -5.514 -7.844
104 H GLU 17 H GLU 17 -0.717 -4.772 -2.265
105 HA GLU 17 HA GLU 17 1.987 -5.031 -3.193
106 HB2 GLU 17 1HB GLU 17 0.796 -3.929 -0.648
107 HB3 GLU 17 2HB GLU 17 2.524 -3.944 -0.973
108 HG2 GLU 17 1HG GLU 17 1.561 -1.780 -1.481
109 HG3 GLU 17 2HG GLU 17 2.178 -2.552 -2.940
110 H CYS 18 H CYS 18 0.537 -5.964 -0.069
111 HA CYS 18 HA CYS 18 2.469 -8.170 0.081
112 HB2 CYS 18 1HB CYS 18 1.849 -8.230 2.500
113 HB3 CYS 18 2HB CYS 18 2.551 -6.699 1.989
114 H GLY 19 H GLY 19 -0.982 -7.441 0.360
115 HA2 GLY 19 1HA GLY 19 -2.425 -9.156 -0.747
116 HA3 GLY 19 2HA GLY 19 -1.514 -10.343 0.174
117 H LYS 20 H LYS 20 -1.946 -7.586 2.009
118 HA LYS 20 HA LYS 20 -3.584 -8.859 3.906
119 HB2 LYS 20 1HB LYS 20 -2.666 -6.038 3.488
120 HB3 LYS 20 2HB LYS 20 -3.877 -6.384 4.715
121 HG2 LYS 20 1HG LYS 20 -1.404 -8.023 4.703
122 HG3 LYS 20 2HG LYS 20 -1.297 -6.353 5.266
123 HD2 LYS 20 1HD LYS 20 -3.389 -8.247 6.300
124 HD3 LYS 20 2HD LYS 20 -1.775 -8.163 7.011
125 HE2 LYS 20 1HE LYS 20 -2.124 -5.728 7.365
126 HE3 LYS 20 2HE LYS 20 -3.778 -5.919 6.784
127 HZ1 LYS 20 3HZ LYS 20 -2.853 -6.269 9.369
128 HZ2 LYS 20 1HZ LYS 20 -3.237 -7.817 8.805
129 HZ3 LYS 20 2HZ LYS 20 -4.405 -6.594 8.782
130 H VAL 21 H VAL 21 -5.585 -7.367 4.731
131 HA VAL 21 HA VAL 21 -7.308 -6.621 2.510
132 HB VAL 21 HB VAL 21 -9.162 -8.084 3.606
133 HG11 VAL 21 1HG1 VAL 21 -7.025 -9.445 1.974
134 HG12 VAL 21 2HG1 VAL 21 -8.746 -9.833 2.026
135 HG13 VAL 21 3HG1 VAL 21 -8.205 -8.313 1.313
136 HG21 VAL 21 3HG2 VAL 21 -8.073 -8.934 5.510
137 HG22 VAL 21 1HG2 VAL 21 -8.140 -10.286 4.380
138 HG23 VAL 21 2HG2 VAL 21 -6.638 -9.386 4.591
139 H PHE 22 H PHE 22 -9.041 -5.308 3.105
140 HA PHE 22 HA PHE 22 -9.415 -4.694 5.930
141 HB2 PHE 22 1HB PHE 22 -8.862 -2.480 3.953
142 HB3 PHE 22 2HB PHE 22 -9.026 -2.347 5.700
143 HD1 PHE 22 HD2 PHE 22 -6.956 -4.237 3.233
144 HD2 PHE 22 HD1 PHE 22 -7.092 -2.057 6.887
145 HE1 PHE 22 HE2 PHE 22 -4.521 -4.496 3.475
146 HE2 PHE 22 HE1 PHE 22 -4.658 -2.312 7.134
147 HZ PHE 22 HZ PHE 22 -3.369 -3.534 5.428
148 H SER 23 H SER 23 -11.525 -4.770 6.276
149 HA SER 23 HA SER 23 -13.540 -5.058 4.493
150 HB2 SER 23 1HB SER 23 -13.527 -3.748 7.203
151 HB3 SER 23 2HB SER 23 -15.019 -3.908 6.277
152 HG SER 23 HG SER 23 -14.102 -5.685 7.843
153 H ARG 24 H ARG 24 -12.163 -1.998 5.588
154 HA ARG 24 HA ARG 24 -13.827 -0.591 3.609
155 HB2 ARG 24 1HB ARG 24 -12.441 0.425 6.093
156 HB3 ARG 24 2HB ARG 24 -13.225 1.467 4.914
157 HG2 ARG 24 1HG ARG 24 -14.858 1.239 6.514
158 HG3 ARG 24 2HG ARG 24 -15.302 -0.022 5.362
159 HD2 ARG 24 1HD ARG 24 -13.880 -1.582 6.813
160 HD3 ARG 24 2HD ARG 24 -13.946 -0.303 8.026
161 HE ARG 24 HE ARG 24 -16.108 -2.040 7.201
162 HH11 ARG 24 1HH1 ARG 24 -15.182 0.888 8.841
163 HH12 ARG 24 2HH1 ARG 24 -16.635 0.976 9.779
164 HH21 ARG 24 1HH2 ARG 24 -18.026 -1.935 8.431
165 HH22 ARG 24 2HH2 ARG 24 -18.252 -0.630 9.546
166 H ASN 25 H ASN 25 -12.897 0.558 1.994
167 HA ASN 25 HA ASN 25 -10.208 0.001 1.295
168 HB2 ASN 25 1HB ASN 25 -10.595 1.455 -0.620
169 HB3 ASN 25 2HB ASN 25 -11.992 0.411 -0.371
170 HD21 ASN 25 1HD2 ASN 25 -10.772 3.644 -0.268
171 HD22 ASN 25 2HD2 ASN 25 -12.294 4.435 -0.060
172 H SER 26 H SER 26 -11.829 2.877 2.573
173 HA SER 26 HA SER 26 -9.767 4.709 2.421
174 HB2 SER 26 1HB SER 26 -12.144 5.125 3.198
175 HB3 SER 26 2HB SER 26 -11.654 4.501 4.773
176 HG SER 26 HG SER 26 -10.118 6.520 3.590
177 H GLN 27 H GLN 27 -10.074 1.945 4.464
178 HA GLN 27 HA GLN 27 -7.996 2.833 6.293
179 HB2 GLN 27 1HB GLN 27 -9.641 0.309 6.126
180 HB3 GLN 27 2HB GLN 27 -8.350 0.534 7.298
181 HG2 GLN 27 1HG GLN 27 -10.761 1.007 8.022
182 HG3 GLN 27 2HG GLN 27 -9.508 2.169 8.456
183 HE21 GLN 27 1HE2 GLN 27 -9.351 4.115 7.230
184 HE22 GLN 27 2HE2 GLN 27 -10.737 4.751 6.418
185 H LEU 28 H LEU 28 -8.403 0.718 3.547
186 HA LEU 28 HA LEU 28 -5.907 -0.645 3.857
187 HB2 LEU 28 1HB LEU 28 -7.390 -1.881 2.617
188 HB3 LEU 28 2HB LEU 28 -8.009 -0.472 1.757
189 HG LEU 28 HG LEU 28 -5.680 -0.458 0.614
190 HD11 LEU 28 1HD1 LEU 28 -5.817 -3.362 1.390
191 HD12 LEU 28 2HD1 LEU 28 -4.767 -2.187 2.182
192 HD13 LEU 28 3HD1 LEU 28 -4.555 -2.545 0.468
193 HD21 LEU 28 3HD2 LEU 28 -7.105 -2.809 -0.374
194 HD22 LEU 28 1HD2 LEU 28 -6.759 -1.272 -1.168
195 HD23 LEU 28 2HD2 LEU 28 -8.146 -1.413 -0.087
196 H SER 29 H SER 29 -7.049 2.061 1.874
197 HA SER 29 HA SER 29 -4.859 2.500 0.276
198 HB2 SER 29 1HB SER 29 -7.152 3.799 0.551
199 HB3 SER 29 2HB SER 29 -6.162 4.880 1.531
200 HG SER 29 HG SER 29 -6.312 5.348 -0.800
201 H GLN 30 H GLN 30 -5.356 3.596 3.610
202 HA GLN 30 HA GLN 30 -2.944 5.055 3.813
203 HB2 GLN 30 1HB GLN 30 -4.713 3.806 5.916
204 HB3 GLN 30 2HB GLN 30 -3.325 4.817 6.294
205 HG2 GLN 30 1HG GLN 30 -5.445 5.847 4.469
206 HG3 GLN 30 2HG GLN 30 -5.714 5.838 6.211
207 HE21 GLN 30 1HE2 GLN 30 -3.524 6.594 7.362
208 HE22 GLN 30 2HE2 GLN 30 -2.958 8.124 6.797
209 H HIS 31 H HIS 31 -3.623 1.703 3.851
210 HA HIS 31 HA HIS 31 -1.139 1.025 5.221
211 HB2 HIS 31 1HB HIS 31 -2.818 -0.435 5.905
212 HB3 HIS 31 2HB HIS 31 -3.527 -0.533 4.297
213 HD1 HIS 31 HD1 HIS 31 -0.427 -1.707 6.146
214 HD2 HIS 31 HD2 HIS 31 -2.784 -2.732 2.881
215 HE1 HIS 31 HE1 HIS 31 0.472 -3.911 5.333
216 H GLN 32 H GLN 32 -2.566 0.999 2.020
217 HA GLN 32 HA GLN 32 -0.621 -0.581 0.732
218 HB2 GLN 32 1HB GLN 32 -2.514 1.536 -0.276
219 HB3 GLN 32 2HB GLN 32 -1.430 0.658 -1.346
220 HG2 GLN 32 1HG GLN 32 -2.467 -1.440 -0.722
221 HG3 GLN 32 2HG GLN 32 -3.515 -0.601 0.421
222 HE21 GLN 32 1HE2 GLN 32 -4.439 -2.230 -1.660
223 HE22 GLN 32 2HE2 GLN 32 -5.315 -1.244 -2.776
224 H LYS 33 H LYS 33 -0.576 2.664 1.864
225 HA LYS 33 HA LYS 33 1.569 3.537 0.144
226 HB2 LYS 33 1HB LYS 33 1.568 5.555 1.593
227 HB3 LYS 33 2HB LYS 33 -0.013 5.188 0.917
228 HG2 LYS 33 1HG LYS 33 -0.775 4.300 3.000
229 HG3 LYS 33 2HG LYS 33 0.844 4.412 3.695
230 HD2 LYS 33 1HD LYS 33 -0.405 6.259 4.527
231 HD3 LYS 33 2HD LYS 33 0.722 6.895 3.326
232 HE2 LYS 33 1HE LYS 33 -1.968 6.091 2.376
233 HE3 LYS 33 2HE LYS 33 -1.867 7.544 3.369
234 HZ1 LYS 33 3HZ LYS 33 -1.677 8.044 1.006
235 HZ2 LYS 33 1HZ LYS 33 -0.311 7.053 0.887
236 HZ3 LYS 33 2HZ LYS 33 -0.258 8.456 1.829
237 H ILE 34 H ILE 34 1.342 1.661 2.933
238 HA ILE 34 HA ILE 34 3.722 2.435 4.270
239 HB ILE 34 HB ILE 34 3.469 0.521 5.615
240 HG12 ILE 34 1HG1 ILE 34 1.617 -1.204 4.720
241 HG13 ILE 34 2HG1 ILE 34 2.230 -0.632 3.172
242 HG21 ILE 34 1HG2 ILE 34 1.696 1.635 6.409
243 HG22 ILE 34 2HG2 ILE 34 1.051 1.945 4.798
244 HG23 ILE 34 3HG2 ILE 34 0.741 0.400 5.588
245 HD11 ILE 34 3HD1 ILE 34 4.450 -1.341 3.732
246 HD12 ILE 34 1HD1 ILE 34 3.943 -1.771 5.365
247 HD13 ILE 34 2HD1 ILE 34 3.334 -2.683 3.983
248 H HIS 35 H HIS 35 3.089 0.513 1.481
249 HA HIS 35 HA HIS 35 5.653 -0.840 1.558
250 HB2 HIS 35 1HB HIS 35 3.670 -0.781 -0.720
251 HB3 HIS 35 2HB HIS 35 4.949 -1.960 -0.441
252 HD1 HIS 35 HD1 HIS 35 4.548 -3.695 1.491
253 HD2 HIS 35 HD2 HIS 35 1.293 -1.270 0.605
254 HE1 HIS 35 HE1 HIS 35 2.572 -4.792 2.593
255 H THR 36 H THR 36 4.143 1.873 -0.068
256 HA THR 36 HA THR 36 6.333 2.273 -1.897
257 HB THR 36 HB THR 36 5.172 4.345 -2.534
258 HG1 THR 36 HG1 THR 36 3.513 3.654 -0.331
259 HG21 THR 36 3HG2 THR 36 3.440 3.316 -3.669
260 HG22 THR 36 1HG2 THR 36 3.016 2.285 -2.303
261 HG23 THR 36 2HG2 THR 36 4.458 1.936 -3.257
262 H GLY 37 H GLY 37 5.159 3.808 1.078
263 HA2 GLY 37 1HA GLY 37 6.105 5.455 2.396
264 HA3 GLY 37 2HA GLY 37 7.528 4.436 2.233
265 H GLU 38 H GLU 38 8.668 6.503 2.502
266 HA GLU 38 HA GLU 38 9.145 7.717 -0.114
267 HB2 GLU 38 1HB GLU 38 9.128 9.976 0.802
268 HB3 GLU 38 2HB GLU 38 7.562 9.209 1.029
269 HG2 GLU 38 1HG GLU 38 8.112 8.744 3.353
270 HG3 GLU 38 2HG GLU 38 9.698 9.481 3.133
271 H LYS 39 H LYS 39 11.119 9.239 0.056
272 HA LYS 39 HA LYS 39 13.030 8.579 2.111
273 HB2 LYS 39 1HB LYS 39 14.622 7.444 0.790
274 HB3 LYS 39 2HB LYS 39 13.089 6.660 0.435
275 HG2 LYS 39 1HG LYS 39 14.074 8.880 -1.303
276 HG3 LYS 39 2HG LYS 39 14.708 7.244 -1.496
277 HD2 LYS 39 1HD LYS 39 12.385 6.424 -1.761
278 HD3 LYS 39 2HD LYS 39 11.818 8.094 -1.680
279 HE2 LYS 39 1HE LYS 39 11.954 7.837 -3.946
280 HE3 LYS 39 2HE LYS 39 13.584 8.421 -3.612
281 HZ1 LYS 39 3HZ LYS 39 12.798 5.978 -4.763
282 HZ2 LYS 39 1HZ LYS 39 13.617 5.655 -3.318
283 HZ3 LYS 39 2HZ LYS 39 14.362 6.577 -4.524
284 HA PRO 40 HA PRO 40 14.412 12.623 1.061
285 HB2 PRO 40 1HB PRO 40 16.887 12.545 2.172
286 HB3 PRO 40 2HB PRO 40 15.406 12.660 3.131
287 HG2 PRO 40 1HG PRO 40 17.081 10.257 2.515
288 HG3 PRO 40 2HG PRO 40 16.336 10.737 4.051
289 HD2 PRO 40 1HD PRO 40 15.255 8.854 2.433
290 HD3 PRO 40 2HD PRO 40 14.265 9.926 3.444
291 H SER 41 H SER 41 15.617 13.684 -0.474
292 HA SER 41 HA SER 41 16.999 11.987 -2.397
293 HB2 SER 41 1HB SER 41 15.237 13.778 -2.990
294 HB3 SER 41 2HB SER 41 16.526 14.946 -2.703
295 HG SER 41 HG SER 41 16.624 12.784 -4.542
296 H GLY 42 H GLY 42 18.867 13.404 -3.560
297 HA2 GLY 42 1HA GLY 42 21.065 14.044 -3.391
298 HA3 GLY 42 2HA GLY 42 20.533 15.044 -2.047
299 HA PRO 43 HA PRO 43 21.706 10.904 0.083
300 HB2 PRO 43 1HB PRO 43 22.436 8.813 -1.488
301 HB3 PRO 43 2HB PRO 43 20.759 9.127 -1.024
302 HG2 PRO 43 1HG PRO 43 22.175 9.794 -3.576
303 HG3 PRO 43 2HG PRO 43 20.547 9.132 -3.340
304 HD2 PRO 43 1HD PRO 43 20.993 11.751 -3.863
305 HD3 PRO 43 2HD PRO 43 19.642 11.195 -2.854
306 H SER 44 H SER 44 23.494 11.198 -2.987
307 HA SER 44 HA SER 44 25.760 11.033 -3.398
308 HB2 SER 44 1HB SER 44 25.464 13.191 -1.310
309 HB3 SER 44 2HB SER 44 26.997 12.873 -2.123
310 HG SER 44 HG SER 44 24.597 13.882 -3.168
311 H SER 45 H SER 45 25.127 8.900 -1.844
312 HA SER 45 HA SER 45 26.040 7.309 -0.499
313 HB2 SER 45 1HB SER 45 28.093 7.982 -1.855
314 HB3 SER 45 2HB SER 45 28.565 8.967 -0.470
315 HG SER 45 HG SER 45 28.020 6.185 -0.341
316 H GLY 46 H GLY 46 24.519 9.258 0.760
317 HA2 GLY 46 1HA GLY 46 25.845 10.350 3.041
318 HA3 GLY 46 2HA GLY 46 24.108 10.253 2.797
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -14.249 -28.545 -16.019
2 HA2 GLY 1 1HA GLY 1 -15.896 -27.137 -15.250
3 HA3 GLY 1 2HA GLY 1 -15.435 -27.601 -13.619
4 H SER 2 H SER 2 -14.253 -25.614 -16.330
5 HA SER 2 HA SER 2 -12.928 -23.828 -14.450
6 HB2 SER 2 1HB SER 2 -11.987 -22.752 -16.433
7 HB3 SER 2 2HB SER 2 -11.762 -24.499 -16.527
8 HG SER 2 HG SER 2 -13.906 -24.330 -17.741
9 H SER 3 H SER 3 -15.909 -24.096 -16.029
10 HA SER 3 HA SER 3 -16.531 -21.384 -16.490
11 HB2 SER 3 1HB SER 3 -17.853 -23.160 -17.498
12 HB3 SER 3 2HB SER 3 -18.350 -23.734 -15.907
13 HG SER 3 HG SER 3 -19.922 -22.364 -16.048
14 H GLY 4 H GLY 4 -16.981 -19.782 -15.129
15 HA2 GLY 4 1HA GLY 4 -18.501 -20.009 -12.782
16 HA3 GLY 4 2HA GLY 4 -16.802 -20.070 -12.337
17 H SER 5 H SER 5 -19.410 -18.066 -12.881
18 HA SER 5 HA SER 5 -17.866 -15.753 -13.715
19 HB2 SER 5 1HB SER 5 -19.931 -14.613 -13.921
20 HB3 SER 5 2HB SER 5 -20.268 -16.261 -14.452
21 HG SER 5 HG SER 5 -21.469 -14.912 -12.536
22 H SER 6 H SER 6 -17.714 -13.816 -12.482
23 HA SER 6 HA SER 6 -17.565 -14.337 -9.605
24 HB2 SER 6 1HB SER 6 -16.067 -12.452 -9.481
25 HB3 SER 6 2HB SER 6 -15.559 -13.460 -10.836
26 HG SER 6 HG SER 6 -16.078 -11.917 -12.189
27 H GLY 7 H GLY 7 -20.142 -14.000 -10.607
28 HA2 GLY 7 1HA GLY 7 -21.160 -11.400 -10.555
29 HA3 GLY 7 2HA GLY 7 -22.075 -12.847 -10.162
30 H THR 8 H THR 8 -22.824 -13.022 -8.157
31 HA THR 8 HA THR 8 -22.310 -10.989 -6.231
32 HB THR 8 HB THR 8 -23.748 -13.624 -5.860
33 HG1 THR 8 HG1 THR 8 -25.598 -12.053 -6.067
34 HG21 THR 8 3HG2 THR 8 -23.315 -12.838 -3.703
35 HG22 THR 8 1HG2 THR 8 -24.921 -12.201 -4.056
36 HG23 THR 8 2HG2 THR 8 -23.510 -11.150 -4.177
37 H GLY 9 H GLY 9 -20.791 -10.895 -4.707
38 HA2 GLY 9 1HA GLY 9 -19.712 -13.323 -3.534
39 HA3 GLY 9 2HA GLY 9 -18.568 -12.375 -4.473
40 H GLU 10 H GLU 10 -17.355 -11.069 -3.295
41 HA GLU 10 HA GLU 10 -18.533 -9.448 -1.206
42 HB2 GLU 10 1HB GLU 10 -17.858 -11.673 -0.160
43 HB3 GLU 10 2HB GLU 10 -16.195 -11.209 -0.486
44 HG2 GLU 10 1HG GLU 10 -16.537 -9.175 0.874
45 HG3 GLU 10 2HG GLU 10 -18.156 -9.750 1.267
46 H LYS 11 H LYS 11 -17.775 -7.481 -1.560
47 HA LYS 11 HA LYS 11 -15.427 -7.014 -3.129
48 HB2 LYS 11 1HB LYS 11 -17.596 -5.589 -2.944
49 HB3 LYS 11 2HB LYS 11 -16.822 -4.893 -1.526
50 HG2 LYS 11 1HG LYS 11 -16.124 -3.409 -3.093
51 HG3 LYS 11 2HG LYS 11 -14.814 -4.586 -3.219
52 HD2 LYS 11 1HD LYS 11 -15.774 -5.571 -5.160
53 HD3 LYS 11 2HD LYS 11 -17.279 -4.673 -4.947
54 HE2 LYS 11 1HE LYS 11 -15.644 -2.602 -5.118
55 HE3 LYS 11 2HE LYS 11 -14.646 -3.764 -5.991
56 HZ1 LYS 11 3HZ LYS 11 -16.038 -2.576 -7.525
57 HZ2 LYS 11 1HZ LYS 11 -17.432 -2.984 -6.658
58 HZ3 LYS 11 2HZ LYS 11 -16.552 -4.186 -7.459
59 H ARG 12 H ARG 12 -13.779 -8.016 -1.883
60 HA ARG 12 HA ARG 12 -13.081 -6.618 0.610
61 HB2 ARG 12 1HB ARG 12 -12.678 -9.398 -0.368
62 HB3 ARG 12 2HB ARG 12 -11.422 -8.712 0.653
63 HG2 ARG 12 1HG ARG 12 -13.214 -8.169 2.324
64 HG3 ARG 12 2HG ARG 12 -14.321 -9.119 1.331
65 HD2 ARG 12 1HD ARG 12 -11.736 -10.353 2.125
66 HD3 ARG 12 2HD ARG 12 -12.986 -10.184 3.356
67 HE ARG 12 HE ARG 12 -14.321 -11.320 1.309
68 HH11 ARG 12 1HH1 ARG 12 -11.331 -12.106 2.911
69 HH12 ARG 12 2HH1 ARG 12 -11.477 -13.809 2.630
70 HH21 ARG 12 1HH2 ARG 12 -14.524 -13.560 0.933
71 HH22 ARG 12 2HH2 ARG 12 -13.293 -14.635 1.504
72 H TYR 13 H TYR 13 -11.689 -5.016 0.267
73 HA TYR 13 HA TYR 13 -9.974 -4.870 -1.993
74 HB2 TYR 13 1HB TYR 13 -9.641 -3.262 0.533
75 HB3 TYR 13 2HB TYR 13 -9.232 -2.800 -1.115
76 HD1 TYR 13 HD2 TYR 13 -11.364 -2.879 -2.766
77 HD2 TYR 13 HD1 TYR 13 -11.517 -2.292 1.446
78 HE1 TYR 13 HE2 TYR 13 -13.552 -1.782 -3.004
79 HE2 TYR 13 HE1 TYR 13 -13.707 -1.194 1.219
80 HH TYR 13 HH TYR 13 -15.234 -0.407 -0.201
81 H LYS 14 H LYS 14 -8.479 -6.454 -2.159
82 HA LYS 14 HA LYS 14 -6.849 -7.164 0.152
83 HB2 LYS 14 1HB LYS 14 -7.789 -8.915 -1.372
84 HB3 LYS 14 2HB LYS 14 -6.754 -8.292 -2.651
85 HG2 LYS 14 1HG LYS 14 -4.789 -8.777 -1.190
86 HG3 LYS 14 2HG LYS 14 -5.895 -9.573 -0.068
87 HD2 LYS 14 1HD LYS 14 -6.312 -11.321 -1.510
88 HD3 LYS 14 2HD LYS 14 -5.915 -10.371 -2.944
89 HE2 LYS 14 1HE LYS 14 -4.067 -11.716 -2.825
90 HE3 LYS 14 2HE LYS 14 -3.519 -10.349 -1.856
91 HZ1 LYS 14 3HZ LYS 14 -3.335 -11.645 -0.083
92 HZ2 LYS 14 1HZ LYS 14 -3.623 -12.983 -1.078
93 HZ3 LYS 14 2HZ LYS 14 -4.906 -12.246 -0.259
94 H CYS 15 H CYS 15 -4.873 -6.389 0.503
95 HA CYS 15 HA CYS 15 -3.767 -4.338 -1.081
96 HB2 CYS 15 1HB CYS 15 -3.385 -4.822 1.410
97 HB3 CYS 15 2HB CYS 15 -2.195 -6.005 0.877
98 H ASN 16 H ASN 16 -3.332 -4.877 -3.167
99 HA ASN 16 HA ASN 16 -2.288 -7.260 -4.125
100 HB2 ASN 16 1HB ASN 16 -3.249 -5.245 -5.418
101 HB3 ASN 16 2HB ASN 16 -1.609 -4.605 -5.371
102 HD21 ASN 16 1HD2 ASN 16 0.008 -5.621 -6.541
103 HD22 ASN 16 2HD2 ASN 16 -0.336 -6.771 -7.783
104 H GLU 17 H GLU 17 -0.753 -4.851 -2.282
105 HA GLU 17 HA GLU 17 1.919 -5.276 -3.218
106 HB2 GLU 17 1HB GLU 17 0.846 -3.992 -0.703
107 HB3 GLU 17 2HB GLU 17 2.551 -4.031 -1.133
108 HG2 GLU 17 1HG GLU 17 1.637 -1.904 -1.738
109 HG3 GLU 17 2HG GLU 17 2.022 -2.802 -3.205
110 H CYS 18 H CYS 18 0.514 -5.942 -0.008
111 HA CYS 18 HA CYS 18 2.429 -8.127 0.321
112 HB2 CYS 18 1HB CYS 18 1.743 -8.082 2.694
113 HB3 CYS 18 2HB CYS 18 2.314 -6.511 2.140
114 H GLY 19 H GLY 19 -1.062 -7.502 0.557
115 HA2 GLY 19 1HA GLY 19 -2.457 -9.245 -0.564
116 HA3 GLY 19 2HA GLY 19 -1.489 -10.417 0.319
117 H LYS 20 H LYS 20 -2.197 -7.562 2.042
118 HA LYS 20 HA LYS 20 -3.777 -9.014 3.946
119 HB2 LYS 20 1HB LYS 20 -2.626 -6.279 3.748
120 HB3 LYS 20 2HB LYS 20 -4.000 -6.498 4.823
121 HG2 LYS 20 1HG LYS 20 -2.715 -8.388 5.887
122 HG3 LYS 20 2HG LYS 20 -1.318 -7.846 4.954
123 HD2 LYS 20 1HD LYS 20 -0.962 -6.665 6.874
124 HD3 LYS 20 2HD LYS 20 -1.983 -5.510 6.015
125 HE2 LYS 20 1HE LYS 20 -3.919 -6.822 7.205
126 HE3 LYS 20 2HE LYS 20 -2.637 -7.281 8.324
127 HZ1 LYS 20 3HZ LYS 20 -4.084 -5.039 8.526
128 HZ2 LYS 20 1HZ LYS 20 -2.737 -4.464 7.679
129 HZ3 LYS 20 2HZ LYS 20 -2.532 -5.226 9.175
130 H VAL 21 H VAL 21 -5.732 -7.513 4.853
131 HA VAL 21 HA VAL 21 -7.405 -6.607 2.640
132 HB VAL 21 HB VAL 21 -9.324 -7.979 3.773
133 HG11 VAL 21 1HG1 VAL 21 -7.711 -8.332 1.524
134 HG12 VAL 21 2HG1 VAL 21 -7.822 -9.927 2.271
135 HG13 VAL 21 3HG1 VAL 21 -9.290 -9.055 1.828
136 HG21 VAL 21 3HG2 VAL 21 -6.840 -9.406 4.668
137 HG22 VAL 21 1HG2 VAL 21 -8.256 -8.948 5.615
138 HG23 VAL 21 2HG2 VAL 21 -8.366 -10.261 4.442
139 H PHE 22 H PHE 22 -9.175 -5.306 3.285
140 HA PHE 22 HA PHE 22 -9.347 -4.596 6.115
141 HB2 PHE 22 1HB PHE 22 -9.026 -2.481 3.982
142 HB3 PHE 22 2HB PHE 22 -9.082 -2.243 5.726
143 HD1 PHE 22 HD2 PHE 22 -7.093 -4.058 3.147
144 HD2 PHE 22 HD1 PHE 22 -7.102 -1.979 6.860
145 HE1 PHE 22 HE2 PHE 22 -4.641 -4.225 3.242
146 HE2 PHE 22 HE1 PHE 22 -4.649 -2.141 6.961
147 HZ PHE 22 HZ PHE 22 -3.415 -3.266 5.150
148 H SER 23 H SER 23 -11.375 -4.173 6.764
149 HA SER 23 HA SER 23 -13.585 -4.835 5.257
150 HB2 SER 23 1HB SER 23 -14.934 -3.758 6.989
151 HB3 SER 23 2HB SER 23 -13.592 -4.636 7.722
152 HG SER 23 HG SER 23 -12.506 -2.451 7.555
153 H ARG 24 H ARG 24 -12.075 -1.677 5.681
154 HA ARG 24 HA ARG 24 -13.824 -0.637 3.549
155 HB2 ARG 24 1HB ARG 24 -12.595 1.015 5.758
156 HB3 ARG 24 2HB ARG 24 -13.785 1.533 4.571
157 HG2 ARG 24 1HG ARG 24 -15.189 -0.424 5.674
158 HG3 ARG 24 2HG ARG 24 -14.135 -0.063 7.042
159 HD2 ARG 24 1HD ARG 24 -16.221 1.216 7.144
160 HD3 ARG 24 2HD ARG 24 -14.818 2.270 6.976
161 HE ARG 24 HE ARG 24 -15.565 2.901 4.888
162 HH11 ARG 24 1HH1 ARG 24 -17.444 0.219 6.070
163 HH12 ARG 24 2HH1 ARG 24 -18.651 0.352 4.834
164 HH21 ARG 24 1HH2 ARG 24 -17.148 3.086 3.256
165 HH22 ARG 24 2HH2 ARG 24 -18.482 1.982 3.234
166 H ASN 25 H ASN 25 -12.889 0.733 2.011
167 HA ASN 25 HA ASN 25 -10.192 0.151 1.355
168 HB2 ASN 25 1HB ASN 25 -10.600 1.229 -0.639
169 HB3 ASN 25 2HB ASN 25 -12.251 0.862 -0.147
170 HD21 ASN 25 1HD2 ASN 25 -10.017 3.286 -0.930
171 HD22 ASN 25 2HD2 ASN 25 -11.022 4.653 -0.602
172 H SER 26 H SER 26 -11.779 2.845 2.936
173 HA SER 26 HA SER 26 -9.718 4.735 2.785
174 HB2 SER 26 1HB SER 26 -11.775 4.343 4.973
175 HB3 SER 26 2HB SER 26 -10.800 5.794 4.739
176 HG SER 26 HG SER 26 -13.083 5.511 3.750
177 H GLN 27 H GLN 27 -9.978 1.839 4.602
178 HA GLN 27 HA GLN 27 -7.903 2.643 6.491
179 HB2 GLN 27 1HB GLN 27 -9.549 0.121 6.262
180 HB3 GLN 27 2HB GLN 27 -8.305 0.377 7.479
181 HG2 GLN 27 1HG GLN 27 -10.883 1.886 7.147
182 HG3 GLN 27 2HG GLN 27 -10.417 0.822 8.473
183 HE21 GLN 27 1HE2 GLN 27 -11.295 3.517 8.701
184 HE22 GLN 27 2HE2 GLN 27 -10.000 4.429 9.391
185 H LEU 28 H LEU 28 -8.355 0.738 3.627
186 HA LEU 28 HA LEU 28 -5.894 -0.726 3.882
187 HB2 LEU 28 1HB LEU 28 -7.385 -1.908 2.614
188 HB3 LEU 28 2HB LEU 28 -8.040 -0.464 1.844
189 HG LEU 28 HG LEU 28 -5.824 -0.355 0.571
190 HD11 LEU 28 1HD1 LEU 28 -4.546 -1.890 1.930
191 HD12 LEU 28 2HD1 LEU 28 -4.695 -2.526 0.292
192 HD13 LEU 28 3HD1 LEU 28 -5.689 -3.190 1.589
193 HD21 LEU 28 3HD2 LEU 28 -6.862 -1.348 -1.167
194 HD22 LEU 28 1HD2 LEU 28 -8.224 -1.413 -0.049
195 HD23 LEU 28 2HD2 LEU 28 -7.193 -2.828 -0.265
196 H SER 29 H SER 29 -7.022 2.030 1.951
197 HA SER 29 HA SER 29 -4.799 2.477 0.387
198 HB2 SER 29 1HB SER 29 -7.061 3.733 0.453
199 HB3 SER 29 2HB SER 29 -6.286 4.768 1.653
200 HG SER 29 HG SER 29 -4.646 5.179 0.081
201 H GLN 30 H GLN 30 -5.389 3.565 3.708
202 HA GLN 30 HA GLN 30 -3.029 5.078 3.985
203 HB2 GLN 30 1HB GLN 30 -4.865 3.755 5.969
204 HB3 GLN 30 2HB GLN 30 -3.432 4.634 6.484
205 HG2 GLN 30 1HG GLN 30 -4.334 6.609 5.200
206 HG3 GLN 30 2HG GLN 30 -5.839 5.703 5.046
207 HE21 GLN 30 1HE2 GLN 30 -3.544 6.977 7.402
208 HE22 GLN 30 2HE2 GLN 30 -4.699 7.226 8.662
209 H HIS 31 H HIS 31 -3.557 1.712 3.872
210 HA HIS 31 HA HIS 31 -1.070 1.087 5.269
211 HB2 HIS 31 1HB HIS 31 -2.796 -0.411 5.859
212 HB3 HIS 31 2HB HIS 31 -3.325 -0.592 4.189
213 HD1 HIS 31 HD1 HIS 31 -0.635 -1.714 6.563
214 HD2 HIS 31 HD2 HIS 31 -2.017 -2.555 2.737
215 HE1 HIS 31 HE1 HIS 31 0.561 -3.812 5.863
216 H GLN 32 H GLN 32 -2.552 0.669 2.068
217 HA GLN 32 HA GLN 32 -0.437 -0.617 0.800
218 HB2 GLN 32 1HB GLN 32 -2.358 1.378 -0.411
219 HB3 GLN 32 2HB GLN 32 -1.398 0.202 -1.298
220 HG2 GLN 32 1HG GLN 32 -2.624 -1.614 -0.380
221 HG3 GLN 32 2HG GLN 32 -3.444 -0.556 0.767
222 HE21 GLN 32 1HE2 GLN 32 -4.239 -2.362 -1.593
223 HE22 GLN 32 2HE2 GLN 32 -5.352 -1.383 -2.480
224 H LYS 33 H LYS 33 -0.631 2.570 1.975
225 HA LYS 33 HA LYS 33 1.242 3.762 0.160
226 HB2 LYS 33 1HB LYS 33 1.304 5.583 1.926
227 HB3 LYS 33 2HB LYS 33 -0.269 5.255 1.209
228 HG2 LYS 33 1HG LYS 33 -1.128 4.404 3.135
229 HG3 LYS 33 2HG LYS 33 0.435 3.814 3.703
230 HD2 LYS 33 1HD LYS 33 -0.258 5.643 5.103
231 HD3 LYS 33 2HD LYS 33 1.111 6.169 4.120
232 HE2 LYS 33 1HE LYS 33 -1.635 6.638 3.079
233 HE3 LYS 33 2HE LYS 33 -1.061 7.655 4.400
234 HZ1 LYS 33 3HZ LYS 33 0.966 8.042 2.956
235 HZ2 LYS 33 1HZ LYS 33 -0.473 8.776 2.452
236 HZ3 LYS 33 2HZ LYS 33 0.075 7.372 1.684
237 H ILE 34 H ILE 34 1.465 1.813 2.977
238 HA ILE 34 HA ILE 34 4.009 2.641 3.904
239 HB ILE 34 HB ILE 34 3.967 0.828 5.348
240 HG12 ILE 34 1HG1 ILE 34 2.200 -0.620 3.363
241 HG13 ILE 34 2HG1 ILE 34 3.912 -0.927 3.636
242 HG21 ILE 34 1HG2 ILE 34 1.514 2.164 4.845
243 HG22 ILE 34 2HG2 ILE 34 1.151 0.497 5.291
244 HG23 ILE 34 3HG2 ILE 34 2.118 1.506 6.367
245 HD11 ILE 34 3HD1 ILE 34 3.541 -2.061 5.560
246 HD12 ILE 34 1HD1 ILE 34 2.106 -1.121 5.972
247 HD13 ILE 34 2HD1 ILE 34 2.010 -2.389 4.749
248 H HIS 35 H HIS 35 2.993 0.674 1.264
249 HA HIS 35 HA HIS 35 5.554 -0.642 0.952
250 HB2 HIS 35 1HB HIS 35 3.131 -0.601 -0.860
251 HB3 HIS 35 2HB HIS 35 4.547 -1.627 -1.071
252 HD1 HIS 35 HD1 HIS 35 4.991 -3.265 1.123
253 HD2 HIS 35 HD2 HIS 35 1.149 -1.799 0.530
254 HE1 HIS 35 HE1 HIS 35 3.483 -4.772 2.456
255 H THR 36 H THR 36 3.795 2.055 -0.438
256 HA THR 36 HA THR 36 5.732 2.484 -2.537
257 HB THR 36 HB THR 36 3.194 3.078 -2.567
258 HG1 THR 36 HG1 THR 36 4.260 3.674 -4.353
259 HG21 THR 36 3HG2 THR 36 4.059 5.791 -1.735
260 HG22 THR 36 1HG2 THR 36 3.754 4.616 -0.456
261 HG23 THR 36 2HG2 THR 36 2.480 5.017 -1.607
262 H GLY 37 H GLY 37 5.875 2.955 0.687
263 HA2 GLY 37 1HA GLY 37 7.449 4.084 1.948
264 HA3 GLY 37 2HA GLY 37 8.060 4.806 0.467
265 H GLU 38 H GLU 38 7.300 5.858 3.228
266 HA GLU 38 HA GLU 38 5.338 7.883 2.403
267 HB2 GLU 38 1HB GLU 38 5.136 6.435 4.568
268 HB3 GLU 38 2HB GLU 38 6.321 7.560 5.216
269 HG2 GLU 38 1HG GLU 38 3.929 8.102 5.713
270 HG3 GLU 38 2HG GLU 38 4.861 9.397 4.963
271 H LYS 39 H LYS 39 5.752 10.085 2.673
272 HA LYS 39 HA LYS 39 8.405 10.924 3.521
273 HB2 LYS 39 1HB LYS 39 8.408 10.373 1.007
274 HB3 LYS 39 2HB LYS 39 7.408 11.809 0.822
275 HG2 LYS 39 1HG LYS 39 9.156 13.190 1.761
276 HG3 LYS 39 2HG LYS 39 10.152 11.764 2.064
277 HD2 LYS 39 1HD LYS 39 9.176 12.354 -0.703
278 HD3 LYS 39 2HD LYS 39 10.580 13.209 -0.059
279 HE2 LYS 39 1HE LYS 39 11.620 11.423 -1.031
280 HE3 LYS 39 2HE LYS 39 11.341 10.767 0.582
281 HZ1 LYS 39 3HZ LYS 39 9.302 10.371 -1.495
282 HZ2 LYS 39 1HZ LYS 39 9.679 9.401 -0.161
283 HZ3 LYS 39 2HZ LYS 39 10.691 9.405 -1.516
284 HA PRO 40 HA PRO 40 6.022 14.272 5.121
285 HB2 PRO 40 1HB PRO 40 8.056 15.993 5.641
286 HB3 PRO 40 2HB PRO 40 7.732 14.563 6.627
287 HG2 PRO 40 1HG PRO 40 9.756 14.948 4.455
288 HG3 PRO 40 2HG PRO 40 9.941 14.151 6.029
289 HD2 PRO 40 1HD PRO 40 9.572 12.768 3.730
290 HD3 PRO 40 2HD PRO 40 8.961 12.198 5.297
291 H SER 41 H SER 41 7.445 14.226 2.146
292 HA SER 41 HA SER 41 7.766 16.776 1.243
293 HB2 SER 41 1HB SER 41 6.440 14.442 -0.149
294 HB3 SER 41 2HB SER 41 6.872 15.943 -0.968
295 HG SER 41 HG SER 41 8.938 15.435 -0.850
296 H GLY 42 H GLY 42 6.300 18.145 -0.081
297 HA2 GLY 42 1HA GLY 42 4.303 19.250 -0.462
298 HA3 GLY 42 2HA GLY 42 3.465 17.942 0.359
299 HA PRO 43 HA PRO 43 4.036 21.890 3.030
300 HB2 PRO 43 1HB PRO 43 1.685 23.152 2.527
301 HB3 PRO 43 2HB PRO 43 3.162 23.470 1.609
302 HG2 PRO 43 1HG PRO 43 0.828 21.734 0.902
303 HG3 PRO 43 2HG PRO 43 1.730 22.867 -0.121
304 HD2 PRO 43 1HD PRO 43 2.149 20.192 -0.189
305 HD3 PRO 43 2HD PRO 43 3.444 21.370 -0.485
306 H SER 44 H SER 44 3.790 20.293 4.668
307 HA SER 44 HA SER 44 1.406 20.495 6.160
308 HB2 SER 44 1HB SER 44 0.806 18.844 4.247
309 HB3 SER 44 2HB SER 44 1.808 17.696 5.135
310 HG SER 44 HG SER 44 -0.518 17.743 5.649
311 H SER 45 H SER 45 1.438 18.969 8.077
312 HA SER 45 HA SER 45 3.806 17.581 8.765
313 HB2 SER 45 1HB SER 45 4.568 20.015 8.841
314 HB3 SER 45 2HB SER 45 3.496 20.204 10.228
315 HG SER 45 HG SER 45 5.958 19.283 10.224
316 H GLY 46 H GLY 46 3.469 16.295 10.511
317 HA2 GLY 46 1HA GLY 46 1.744 16.882 12.663
318 HA3 GLY 46 2HA GLY 46 0.873 15.917 11.481
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -7.866 -24.647 -19.372
2 HA2 GLY 1 1HA GLY 1 -5.973 -24.695 -17.174
3 HA3 GLY 1 2HA GLY 1 -6.207 -23.119 -17.915
4 H SER 2 H SER 2 -7.116 -24.929 -15.382
5 HA SER 2 HA SER 2 -9.789 -23.691 -15.257
6 HB2 SER 2 1HB SER 2 -10.367 -25.564 -13.669
7 HB3 SER 2 2HB SER 2 -10.077 -26.073 -15.332
8 HG SER 2 HG SER 2 -8.998 -27.197 -13.394
9 H SER 3 H SER 3 -9.058 -21.804 -14.269
10 HA SER 3 HA SER 3 -7.405 -21.823 -11.944
11 HB2 SER 3 1HB SER 3 -7.824 -19.909 -13.667
12 HB3 SER 3 2HB SER 3 -9.218 -19.534 -12.653
13 HG SER 3 HG SER 3 -6.573 -19.790 -11.662
14 H GLY 4 H GLY 4 -7.968 -21.412 -9.793
15 HA2 GLY 4 1HA GLY 4 -10.837 -21.690 -9.156
16 HA3 GLY 4 2HA GLY 4 -9.629 -22.668 -8.336
17 H SER 5 H SER 5 -11.607 -20.431 -7.557
18 HA SER 5 HA SER 5 -9.895 -19.264 -5.567
19 HB2 SER 5 1HB SER 5 -9.389 -17.716 -7.351
20 HB3 SER 5 2HB SER 5 -11.101 -17.513 -7.720
21 HG SER 5 HG SER 5 -9.570 -16.342 -5.765
22 H SER 6 H SER 6 -11.026 -18.993 -3.754
23 HA SER 6 HA SER 6 -13.887 -19.413 -3.808
24 HB2 SER 6 1HB SER 6 -12.102 -20.303 -2.080
25 HB3 SER 6 2HB SER 6 -12.402 -18.752 -1.295
26 HG SER 6 HG SER 6 -14.644 -19.316 -1.290
27 H GLY 7 H GLY 7 -15.166 -17.741 -4.259
28 HA2 GLY 7 1HA GLY 7 -14.381 -15.057 -3.364
29 HA3 GLY 7 2HA GLY 7 -15.586 -15.419 -4.590
30 H THR 8 H THR 8 -14.995 -14.836 -1.268
31 HA THR 8 HA THR 8 -17.865 -15.209 -0.702
32 HB THR 8 HB THR 8 -16.595 -16.880 0.531
33 HG1 THR 8 HG1 THR 8 -17.198 -14.981 2.512
34 HG21 THR 8 3HG2 THR 8 -14.879 -16.326 2.106
35 HG22 THR 8 1HG2 THR 8 -15.140 -14.599 1.867
36 HG23 THR 8 2HG2 THR 8 -14.454 -15.575 0.568
37 H GLY 9 H GLY 9 -14.933 -13.394 0.153
38 HA2 GLY 9 1HA GLY 9 -16.317 -11.405 1.656
39 HA3 GLY 9 2HA GLY 9 -14.664 -11.299 1.069
40 H GLU 10 H GLU 10 -18.030 -10.704 0.303
41 HA GLU 10 HA GLU 10 -17.925 -9.806 -2.278
42 HB2 GLU 10 1HB GLU 10 -19.551 -9.001 0.092
43 HB3 GLU 10 2HB GLU 10 -19.666 -8.031 -1.370
44 HG2 GLU 10 1HG GLU 10 -19.957 -10.982 -1.587
45 HG3 GLU 10 2HG GLU 10 -21.293 -10.038 -0.932
46 H LYS 11 H LYS 11 -17.566 -7.685 0.570
47 HA LYS 11 HA LYS 11 -16.051 -5.816 -1.125
48 HB2 LYS 11 1HB LYS 11 -18.059 -4.826 -0.190
49 HB3 LYS 11 2HB LYS 11 -17.595 -5.333 1.429
50 HG2 LYS 11 1HG LYS 11 -15.696 -3.831 1.389
51 HG3 LYS 11 2HG LYS 11 -16.075 -3.365 -0.271
52 HD2 LYS 11 1HD LYS 11 -17.986 -2.994 2.028
53 HD3 LYS 11 2HD LYS 11 -16.836 -1.757 1.516
54 HE2 LYS 11 1HE LYS 11 -17.840 -1.712 -0.696
55 HE3 LYS 11 2HE LYS 11 -18.949 -3.004 -0.240
56 HZ1 LYS 11 3HZ LYS 11 -19.719 -1.426 1.569
57 HZ2 LYS 11 1HZ LYS 11 -20.168 -1.041 -0.016
58 HZ3 LYS 11 2HZ LYS 11 -18.896 -0.211 0.728
59 H ARG 12 H ARG 12 -14.115 -7.078 -0.833
60 HA ARG 12 HA ARG 12 -12.803 -6.476 1.725
61 HB2 ARG 12 1HB ARG 12 -12.802 -9.119 0.268
62 HB3 ARG 12 2HB ARG 12 -11.616 -8.705 1.498
63 HG2 ARG 12 1HG ARG 12 -13.662 -8.246 2.998
64 HG3 ARG 12 2HG ARG 12 -14.552 -9.183 1.797
65 HD2 ARG 12 1HD ARG 12 -12.742 -10.961 2.111
66 HD3 ARG 12 2HD ARG 12 -12.281 -10.061 3.555
67 HE ARG 12 HE ARG 12 -14.525 -11.790 3.264
68 HH11 ARG 12 1HH1 ARG 12 -13.419 -8.898 4.856
69 HH12 ARG 12 2HH1 ARG 12 -14.505 -9.064 6.196
70 HH21 ARG 12 1HH2 ARG 12 -15.959 -12.019 5.022
71 HH22 ARG 12 2HH2 ARG 12 -15.949 -10.840 6.290
72 H TYR 13 H TYR 13 -11.571 -4.828 0.915
73 HA TYR 13 HA TYR 13 -10.207 -4.951 -1.576
74 HB2 TYR 13 1HB TYR 13 -9.610 -3.157 0.784
75 HB3 TYR 13 2HB TYR 13 -9.138 -2.886 -0.890
76 HD1 TYR 13 HD2 TYR 13 -10.797 -2.192 -2.553
77 HD2 TYR 13 HD1 TYR 13 -11.860 -2.712 1.534
78 HE1 TYR 13 HE2 TYR 13 -12.882 -0.947 -2.943
79 HE2 TYR 13 HE1 TYR 13 -13.949 -1.469 1.155
80 HH TYR 13 HH TYR 13 -14.820 -0.284 -2.074
81 H LYS 14 H LYS 14 -8.658 -6.397 -1.942
82 HA LYS 14 HA LYS 14 -6.850 -7.191 0.204
83 HB2 LYS 14 1HB LYS 14 -7.978 -8.818 -1.427
84 HB3 LYS 14 2HB LYS 14 -6.829 -8.232 -2.622
85 HG2 LYS 14 1HG LYS 14 -5.100 -8.827 -0.706
86 HG3 LYS 14 2HG LYS 14 -6.390 -9.938 -0.239
87 HD2 LYS 14 1HD LYS 14 -5.240 -11.274 -1.693
88 HD3 LYS 14 2HD LYS 14 -6.354 -10.500 -2.822
89 HE2 LYS 14 1HE LYS 14 -3.690 -9.265 -2.256
90 HE3 LYS 14 2HE LYS 14 -3.814 -10.617 -3.381
91 HZ1 LYS 14 3HZ LYS 14 -4.099 -8.870 -4.793
92 HZ2 LYS 14 1HZ LYS 14 -4.843 -7.886 -3.635
93 HZ3 LYS 14 2HZ LYS 14 -5.715 -9.135 -4.369
94 H CYS 15 H CYS 15 -4.889 -6.354 0.447
95 HA CYS 15 HA CYS 15 -3.900 -4.278 -1.162
96 HB2 CYS 15 1HB CYS 15 -3.310 -4.732 1.250
97 HB3 CYS 15 2HB CYS 15 -2.259 -6.025 0.678
98 H ASN 16 H ASN 16 -2.932 -4.323 -3.072
99 HA ASN 16 HA ASN 16 -2.154 -6.824 -4.268
100 HB2 ASN 16 1HB ASN 16 -3.255 -4.786 -5.426
101 HB3 ASN 16 2HB ASN 16 -1.627 -4.115 -5.464
102 HD21 ASN 16 1HD2 ASN 16 -3.350 -7.118 -6.233
103 HD22 ASN 16 2HD2 ASN 16 -2.481 -7.443 -7.691
104 H GLU 17 H GLU 17 -0.656 -5.309 -1.974
105 HA GLU 17 HA GLU 17 2.018 -5.410 -3.200
106 HB2 GLU 17 1HB GLU 17 1.089 -4.013 -0.685
107 HB3 GLU 17 2HB GLU 17 2.754 -4.061 -1.248
108 HG2 GLU 17 1HG GLU 17 0.523 -2.945 -2.916
109 HG3 GLU 17 2HG GLU 17 1.429 -1.969 -1.760
110 H CYS 18 H CYS 18 0.507 -6.017 -0.023
111 HA CYS 18 HA CYS 18 2.478 -8.123 0.466
112 HB2 CYS 18 1HB CYS 18 1.564 -8.083 2.791
113 HB3 CYS 18 2HB CYS 18 2.236 -6.542 2.267
114 H GLY 19 H GLY 19 -1.049 -7.637 0.579
115 HA2 GLY 19 1HA GLY 19 -2.328 -9.425 -0.620
116 HA3 GLY 19 2HA GLY 19 -1.346 -10.564 0.290
117 H LYS 20 H LYS 20 -2.149 -7.810 2.081
118 HA LYS 20 HA LYS 20 -3.807 -9.340 3.851
119 HB2 LYS 20 1HB LYS 20 -2.610 -6.624 3.832
120 HB3 LYS 20 2HB LYS 20 -4.054 -6.842 4.811
121 HG2 LYS 20 1HG LYS 20 -2.693 -8.964 5.649
122 HG3 LYS 20 2HG LYS 20 -1.333 -7.949 5.165
123 HD2 LYS 20 1HD LYS 20 -1.728 -6.405 6.795
124 HD3 LYS 20 2HD LYS 20 -3.471 -6.682 6.786
125 HE2 LYS 20 1HE LYS 20 -3.292 -8.583 8.134
126 HE3 LYS 20 2HE LYS 20 -1.571 -8.769 7.801
127 HZ1 LYS 20 3HZ LYS 20 -1.380 -6.508 8.983
128 HZ2 LYS 20 1HZ LYS 20 -1.602 -7.898 9.922
129 HZ3 LYS 20 2HZ LYS 20 -2.908 -6.869 9.612
130 H VAL 21 H VAL 21 -5.768 -7.795 4.755
131 HA VAL 21 HA VAL 21 -7.370 -6.876 2.490
132 HB VAL 21 HB VAL 21 -9.345 -8.166 3.617
133 HG11 VAL 21 1HG1 VAL 21 -7.648 -10.083 2.165
134 HG12 VAL 21 2HG1 VAL 21 -9.287 -9.525 1.821
135 HG13 VAL 21 3HG1 VAL 21 -7.901 -8.534 1.362
136 HG21 VAL 21 3HG2 VAL 21 -8.438 -10.455 4.369
137 HG22 VAL 21 1HG2 VAL 21 -6.919 -9.601 4.637
138 HG23 VAL 21 2HG2 VAL 21 -8.370 -9.114 5.512
139 H PHE 22 H PHE 22 -9.168 -5.558 3.089
140 HA PHE 22 HA PHE 22 -9.326 -4.739 5.888
141 HB2 PHE 22 1HB PHE 22 -8.975 -2.717 3.670
142 HB3 PHE 22 2HB PHE 22 -9.062 -2.397 5.399
143 HD1 PHE 22 HD2 PHE 22 -7.028 -4.286 2.915
144 HD2 PHE 22 HD1 PHE 22 -7.109 -2.141 6.590
145 HE1 PHE 22 HE2 PHE 22 -4.578 -4.457 3.065
146 HE2 PHE 22 HE1 PHE 22 -4.659 -2.308 6.746
147 HZ PHE 22 HZ PHE 22 -3.391 -3.468 4.982
148 H SER 23 H SER 23 -11.330 -4.087 6.519
149 HA SER 23 HA SER 23 -13.568 -4.869 5.092
150 HB2 SER 23 1HB SER 23 -13.708 -4.524 7.472
151 HB3 SER 23 2HB SER 23 -13.309 -2.815 7.299
152 HG SER 23 HG SER 23 -15.508 -3.694 5.865
153 H ARG 24 H ARG 24 -12.199 -1.605 5.420
154 HA ARG 24 HA ARG 24 -13.771 -0.811 3.057
155 HB2 ARG 24 1HB ARG 24 -12.898 1.014 5.302
156 HB3 ARG 24 2HB ARG 24 -13.938 1.427 3.945
157 HG2 ARG 24 1HG ARG 24 -14.778 -0.774 5.759
158 HG3 ARG 24 2HG ARG 24 -14.928 0.894 6.316
159 HD2 ARG 24 1HD ARG 24 -16.170 1.390 4.195
160 HD3 ARG 24 2HD ARG 24 -16.168 -0.343 3.866
161 HE ARG 24 HE ARG 24 -17.802 -0.619 5.452
162 HH11 ARG 24 1HH1 ARG 24 -16.420 2.562 5.752
163 HH12 ARG 24 2HH1 ARG 24 -17.609 3.115 6.884
164 HH21 ARG 24 1HH2 ARG 24 -19.374 0.098 6.942
165 HH22 ARG 24 2HH2 ARG 24 -19.289 1.712 7.560
166 H ASN 25 H ASN 25 -12.778 0.629 1.583
167 HA ASN 25 HA ASN 25 -10.041 0.134 1.119
168 HB2 ASN 25 1HB ASN 25 -11.377 0.593 -0.781
169 HB3 ASN 25 2HB ASN 25 -12.006 2.081 -0.078
170 HD21 ASN 25 1HD2 ASN 25 -9.382 0.586 -1.752
171 HD22 ASN 25 2HD2 ASN 25 -8.510 2.034 -2.113
172 H SER 26 H SER 26 -11.763 2.896 2.490
173 HA SER 26 HA SER 26 -9.732 4.761 2.602
174 HB2 SER 26 1HB SER 26 -12.219 4.928 3.347
175 HB3 SER 26 2HB SER 26 -11.612 4.414 4.922
176 HG SER 26 HG SER 26 -10.027 6.233 4.542
177 H GLN 27 H GLN 27 -10.072 1.824 4.372
178 HA GLN 27 HA GLN 27 -8.075 2.595 6.350
179 HB2 GLN 27 1HB GLN 27 -9.830 0.179 5.993
180 HB3 GLN 27 2HB GLN 27 -8.487 0.173 7.128
181 HG2 GLN 27 1HG GLN 27 -11.005 1.778 7.196
182 HG3 GLN 27 2HG GLN 27 -10.309 0.740 8.439
183 HE21 GLN 27 1HE2 GLN 27 -11.116 3.706 8.141
184 HE22 GLN 27 2HE2 GLN 27 -9.786 4.543 8.859
185 H LEU 28 H LEU 28 -8.374 0.768 3.419
186 HA LEU 28 HA LEU 28 -5.920 -0.692 3.748
187 HB2 LEU 28 1HB LEU 28 -7.314 -1.847 2.363
188 HB3 LEU 28 2HB LEU 28 -7.977 -0.386 1.634
189 HG LEU 28 HG LEU 28 -5.725 -0.168 0.444
190 HD11 LEU 28 1HD1 LEU 28 -4.586 -2.363 0.097
191 HD12 LEU 28 2HD1 LEU 28 -5.540 -3.007 1.433
192 HD13 LEU 28 3HD1 LEU 28 -4.401 -1.690 1.717
193 HD21 LEU 28 3HD2 LEU 28 -6.957 -2.631 -0.574
194 HD22 LEU 28 1HD2 LEU 28 -6.707 -1.073 -1.361
195 HD23 LEU 28 2HD2 LEU 28 -8.081 -1.303 -0.280
196 H SER 29 H SER 29 -6.965 2.105 1.826
197 HA SER 29 HA SER 29 -4.651 2.608 0.415
198 HB2 SER 29 1HB SER 29 -6.564 3.916 -0.099
199 HB3 SER 29 2HB SER 29 -6.711 4.492 1.561
200 HG SER 29 HG SER 29 -5.646 5.852 -0.230
201 H GLN 30 H GLN 30 -5.469 3.609 3.712
202 HA GLN 30 HA GLN 30 -3.144 5.146 4.164
203 HB2 GLN 30 1HB GLN 30 -3.744 5.063 6.507
204 HB3 GLN 30 2HB GLN 30 -5.196 5.297 5.542
205 HG2 GLN 30 1HG GLN 30 -6.011 3.207 6.004
206 HG3 GLN 30 2HG GLN 30 -4.412 2.534 6.318
207 HE21 GLN 30 1HE2 GLN 30 -3.962 2.142 8.356
208 HE22 GLN 30 2HE2 GLN 30 -4.681 2.908 9.727
209 H HIS 31 H HIS 31 -3.626 1.792 3.934
210 HA HIS 31 HA HIS 31 -1.272 1.142 5.535
211 HB2 HIS 31 1HB HIS 31 -2.915 -0.442 5.961
212 HB3 HIS 31 2HB HIS 31 -3.481 -0.455 4.293
213 HD1 HIS 31 HD1 HIS 31 -0.634 -1.741 6.420
214 HD2 HIS 31 HD2 HIS 31 -2.376 -2.400 2.706
215 HE1 HIS 31 HE1 HIS 31 0.470 -3.813 5.517
216 H GLN 32 H GLN 32 -2.461 0.661 2.213
217 HA GLN 32 HA GLN 32 -0.254 -0.536 1.093
218 HB2 GLN 32 1HB GLN 32 -1.967 1.569 -0.237
219 HB3 GLN 32 2HB GLN 32 -0.999 0.345 -1.048
220 HG2 GLN 32 1HG GLN 32 -2.405 -1.408 -0.144
221 HG3 GLN 32 2HG GLN 32 -3.348 -0.215 0.748
222 HE21 GLN 32 1HE2 GLN 32 -3.698 -2.181 -1.659
223 HE22 GLN 32 2HE2 GLN 32 -4.626 -1.240 -2.771
224 H LYS 33 H LYS 33 -0.725 2.829 1.928
225 HA LYS 33 HA LYS 33 1.259 4.085 0.503
226 HB2 LYS 33 1HB LYS 33 1.310 5.759 2.237
227 HB3 LYS 33 2HB LYS 33 -0.346 5.203 2.039
228 HG2 LYS 33 1HG LYS 33 0.046 3.672 3.993
229 HG3 LYS 33 2HG LYS 33 1.575 4.516 4.246
230 HD2 LYS 33 1HD LYS 33 0.058 6.651 4.173
231 HD3 LYS 33 2HD LYS 33 -1.223 5.506 4.578
232 HE2 LYS 33 1HE LYS 33 -0.467 6.282 6.649
233 HE3 LYS 33 2HE LYS 33 0.329 4.721 6.455
234 HZ1 LYS 33 3HZ LYS 33 1.475 7.352 6.627
235 HZ2 LYS 33 1HZ LYS 33 2.088 6.443 5.338
236 HZ3 LYS 33 2HZ LYS 33 2.183 5.843 6.916
237 H ILE 34 H ILE 34 1.597 1.747 3.001
238 HA ILE 34 HA ILE 34 4.230 2.403 3.842
239 HB ILE 34 HB ILE 34 4.251 0.372 5.019
240 HG12 ILE 34 1HG1 ILE 34 2.020 -0.637 3.244
241 HG13 ILE 34 2HG1 ILE 34 3.717 -1.060 3.048
242 HG21 ILE 34 1HG2 ILE 34 1.494 0.268 5.439
243 HG22 ILE 34 2HG2 ILE 34 2.677 1.213 6.341
244 HG23 ILE 34 3HG2 ILE 34 1.834 1.934 4.971
245 HD11 ILE 34 3HD1 ILE 34 2.320 -2.759 4.225
246 HD12 ILE 34 1HD1 ILE 34 3.745 -2.224 5.114
247 HD13 ILE 34 2HD1 ILE 34 2.151 -1.609 5.551
248 H HIS 35 H HIS 35 2.913 0.429 1.259
249 HA HIS 35 HA HIS 35 5.493 -0.672 0.553
250 HB2 HIS 35 1HB HIS 35 2.888 -0.805 -0.978
251 HB3 HIS 35 2HB HIS 35 4.313 -1.807 -1.238
252 HD1 HIS 35 HD1 HIS 35 4.965 -3.300 1.011
253 HD2 HIS 35 HD2 HIS 35 1.047 -1.976 0.614
254 HE1 HIS 35 HE1 HIS 35 3.602 -4.766 2.533
255 H THR 36 H THR 36 3.425 1.955 -0.435
256 HA THR 36 HA THR 36 5.331 2.636 -2.576
257 HB THR 36 HB THR 36 3.082 2.312 -3.439
258 HG1 THR 36 HG1 THR 36 4.035 4.984 -3.329
259 HG21 THR 36 3HG2 THR 36 2.250 4.487 -1.515
260 HG22 THR 36 1HG2 THR 36 1.838 2.779 -1.373
261 HG23 THR 36 2HG2 THR 36 1.220 3.725 -2.727
262 H GLY 37 H GLY 37 6.580 4.366 -2.292
263 HA2 GLY 37 1HA GLY 37 6.038 6.869 -1.519
264 HA3 GLY 37 2HA GLY 37 6.151 6.055 0.034
265 H GLU 38 H GLU 38 8.217 4.405 -0.135
266 HA GLU 38 HA GLU 38 10.461 6.225 -0.337
267 HB2 GLU 38 1HB GLU 38 10.064 4.561 1.562
268 HB3 GLU 38 2HB GLU 38 10.578 3.315 0.433
269 HG2 GLU 38 1HG GLU 38 12.552 3.748 1.473
270 HG3 GLU 38 2HG GLU 38 12.654 4.895 0.138
271 H LYS 39 H LYS 39 9.380 5.732 -2.829
272 HA LYS 39 HA LYS 39 11.665 4.850 -4.265
273 HB2 LYS 39 1HB LYS 39 10.532 2.961 -5.465
274 HB3 LYS 39 2HB LYS 39 10.914 2.630 -3.780
275 HG2 LYS 39 1HG LYS 39 8.796 1.824 -3.843
276 HG3 LYS 39 2HG LYS 39 8.444 3.502 -3.423
277 HD2 LYS 39 1HD LYS 39 6.989 3.238 -5.163
278 HD3 LYS 39 2HD LYS 39 8.415 3.768 -6.060
279 HE2 LYS 39 1HE LYS 39 7.998 0.856 -5.553
280 HE3 LYS 39 2HE LYS 39 7.066 1.653 -6.819
281 HZ1 LYS 39 3HZ LYS 39 9.226 2.449 -7.732
282 HZ2 LYS 39 1HZ LYS 39 9.020 0.772 -7.801
283 HZ3 LYS 39 2HZ LYS 39 10.018 1.453 -6.619
284 HA PRO 40 HA PRO 40 9.838 7.463 -7.287
285 HB2 PRO 40 1HB PRO 40 11.032 6.529 -9.539
286 HB3 PRO 40 2HB PRO 40 11.889 7.481 -8.322
287 HG2 PRO 40 1HG PRO 40 11.857 4.516 -8.729
288 HG3 PRO 40 2HG PRO 40 13.228 5.580 -8.366
289 HD2 PRO 40 1HD PRO 40 12.006 4.081 -6.471
290 HD3 PRO 40 2HD PRO 40 12.730 5.663 -6.117
291 H SER 41 H SER 41 7.735 7.240 -7.750
292 HA SER 41 HA SER 41 6.565 4.783 -8.601
293 HB2 SER 41 1HB SER 41 5.395 7.576 -8.652
294 HB3 SER 41 2HB SER 41 4.489 6.068 -8.791
295 HG SER 41 HG SER 41 4.353 6.564 -6.681
296 H GLY 42 H GLY 42 7.283 4.035 -10.531
297 HA2 GLY 42 1HA GLY 42 7.742 5.732 -12.790
298 HA3 GLY 42 2HA GLY 42 7.752 3.975 -12.789
299 HA PRO 43 HA PRO 43 3.710 5.951 -14.522
300 HB2 PRO 43 1HB PRO 43 4.371 6.337 -17.127
301 HB3 PRO 43 2HB PRO 43 4.548 7.592 -15.895
302 HG2 PRO 43 1HG PRO 43 6.617 5.758 -17.042
303 HG3 PRO 43 2HG PRO 43 6.731 7.492 -16.689
304 HD2 PRO 43 1HD PRO 43 7.759 5.600 -15.047
305 HD3 PRO 43 2HD PRO 43 7.110 7.137 -14.443
306 H SER 44 H SER 44 2.222 4.766 -15.752
307 HA SER 44 HA SER 44 3.207 2.156 -16.704
308 HB2 SER 44 1HB SER 44 1.809 1.961 -14.689
309 HB3 SER 44 2HB SER 44 0.504 2.820 -15.508
310 HG SER 44 HG SER 44 0.978 0.950 -17.143
311 H SER 45 H SER 45 3.528 3.028 -18.813
312 HA SER 45 HA SER 45 1.110 2.958 -20.417
313 HB2 SER 45 1HB SER 45 1.246 5.329 -19.915
314 HB3 SER 45 2HB SER 45 2.943 5.368 -20.393
315 HG SER 45 HG SER 45 0.836 5.750 -21.922
316 H GLY 46 H GLY 46 1.562 2.787 -22.726
317 HA2 GLY 46 1HA GLY 46 4.285 2.354 -23.578
318 HA3 GLY 46 2HA GLY 46 3.349 0.873 -23.435
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -31.676 -26.003 -9.565
2 HA2 GLY 1 1HA GLY 1 -32.966 -26.696 -7.245
3 HA3 GLY 1 2HA GLY 1 -31.614 -27.814 -7.346
4 H SER 2 H SER 2 -32.621 -24.650 -6.551
5 HA SER 2 HA SER 2 -29.823 -23.830 -6.126
6 HB2 SER 2 1HB SER 2 -31.274 -22.432 -7.689
7 HB3 SER 2 2HB SER 2 -32.195 -21.965 -6.259
8 HG SER 2 HG SER 2 -29.391 -21.689 -6.323
9 H SER 3 H SER 3 -29.748 -24.959 -4.117
10 HA SER 3 HA SER 3 -31.559 -24.164 -2.001
11 HB2 SER 3 1HB SER 3 -29.123 -25.963 -1.941
12 HB3 SER 3 2HB SER 3 -30.257 -25.737 -0.610
13 HG SER 3 HG SER 3 -31.456 -26.409 -2.982
14 H GLY 4 H GLY 4 -28.008 -24.107 -2.396
15 HA2 GLY 4 1HA GLY 4 -27.945 -21.472 -1.137
16 HA3 GLY 4 2HA GLY 4 -27.086 -22.765 -0.314
17 H SER 5 H SER 5 -27.402 -21.691 -3.702
18 HA SER 5 HA SER 5 -24.497 -22.003 -3.981
19 HB2 SER 5 1HB SER 5 -25.648 -23.251 -5.646
20 HB3 SER 5 2HB SER 5 -26.741 -21.913 -5.999
21 HG SER 5 HG SER 5 -24.883 -20.763 -6.778
22 H SER 6 H SER 6 -24.068 -20.009 -2.860
23 HA SER 6 HA SER 6 -24.605 -17.625 -4.509
24 HB2 SER 6 1HB SER 6 -24.234 -17.809 -1.510
25 HB3 SER 6 2HB SER 6 -24.391 -16.302 -2.412
26 HG SER 6 HG SER 6 -26.360 -18.231 -2.802
27 H GLY 7 H GLY 7 -22.920 -15.864 -4.143
28 HA2 GLY 7 1HA GLY 7 -20.271 -16.777 -3.425
29 HA3 GLY 7 2HA GLY 7 -20.497 -16.508 -5.146
30 H THR 8 H THR 8 -22.087 -14.277 -5.182
31 HA THR 8 HA THR 8 -20.168 -12.239 -4.489
32 HB THR 8 HB THR 8 -21.416 -12.165 -6.630
33 HG1 THR 8 HG1 THR 8 -21.647 -9.964 -6.552
34 HG21 THR 8 3HG2 THR 8 -23.726 -11.656 -6.737
35 HG22 THR 8 1HG2 THR 8 -23.812 -11.333 -5.006
36 HG23 THR 8 2HG2 THR 8 -23.581 -12.983 -5.584
37 H GLY 9 H GLY 9 -20.385 -10.616 -2.991
38 HA2 GLY 9 1HA GLY 9 -22.293 -9.465 -1.645
39 HA3 GLY 9 2HA GLY 9 -22.447 -11.072 -0.950
40 H GLU 10 H GLU 10 -19.473 -9.381 -1.851
41 HA GLU 10 HA GLU 10 -18.806 -8.518 0.755
42 HB2 GLU 10 1HB GLU 10 -18.627 -11.148 0.767
43 HB3 GLU 10 2HB GLU 10 -17.095 -10.838 -0.037
44 HG2 GLU 10 1HG GLU 10 -16.418 -9.411 1.846
45 HG3 GLU 10 2HG GLU 10 -17.934 -9.796 2.659
46 H LYS 11 H LYS 11 -17.693 -6.762 0.244
47 HA LYS 11 HA LYS 11 -15.926 -6.801 -2.092
48 HB2 LYS 11 1HB LYS 11 -17.397 -4.686 -0.606
49 HB3 LYS 11 2HB LYS 11 -15.875 -4.229 -1.359
50 HG2 LYS 11 1HG LYS 11 -16.964 -5.463 -3.436
51 HG3 LYS 11 2HG LYS 11 -18.450 -5.012 -2.598
52 HD2 LYS 11 1HD LYS 11 -16.328 -2.951 -2.952
53 HD3 LYS 11 2HD LYS 11 -17.319 -3.393 -4.345
54 HE2 LYS 11 1HE LYS 11 -18.585 -1.697 -3.482
55 HE3 LYS 11 2HE LYS 11 -19.283 -3.066 -2.619
56 HZ1 LYS 11 3HZ LYS 11 -17.499 -2.494 -0.864
57 HZ2 LYS 11 1HZ LYS 11 -18.905 -1.556 -0.943
58 HZ3 LYS 11 2HZ LYS 11 -17.466 -0.979 -1.618
59 H ARG 12 H ARG 12 -14.257 -8.020 -1.048
60 HA ARG 12 HA ARG 12 -12.896 -6.769 1.202
61 HB2 ARG 12 1HB ARG 12 -11.650 -8.770 1.402
62 HB3 ARG 12 2HB ARG 12 -13.289 -9.271 1.010
63 HG2 ARG 12 1HG ARG 12 -12.161 -10.606 -0.429
64 HG3 ARG 12 2HG ARG 12 -12.318 -9.180 -1.457
65 HD2 ARG 12 1HD ARG 12 -10.076 -8.442 -0.595
66 HD3 ARG 12 2HD ARG 12 -9.931 -10.021 0.175
67 HE ARG 12 HE ARG 12 -9.644 -9.420 -2.625
68 HH11 ARG 12 1HH1 ARG 12 -10.341 -11.888 -0.271
69 HH12 ARG 12 2HH1 ARG 12 -9.870 -13.194 -1.308
70 HH21 ARG 12 1HH2 ARG 12 -9.021 -11.130 -3.999
71 HH22 ARG 12 2HH2 ARG 12 -9.118 -12.761 -3.428
72 H TYR 13 H TYR 13 -11.188 -5.481 0.999
73 HA TYR 13 HA TYR 13 -10.017 -5.112 -1.650
74 HB2 TYR 13 1HB TYR 13 -9.339 -3.472 0.776
75 HB3 TYR 13 2HB TYR 13 -9.277 -3.009 -0.920
76 HD1 TYR 13 HD2 TYR 13 -11.851 -3.590 -1.991
77 HD2 TYR 13 HD1 TYR 13 -10.874 -2.170 1.899
78 HE1 TYR 13 HE2 TYR 13 -14.089 -2.586 -1.802
79 HE2 TYR 13 HE1 TYR 13 -13.109 -1.163 2.099
80 HH TYR 13 HH TYR 13 -15.349 -1.447 1.137
81 H LYS 14 H LYS 14 -8.553 -6.718 -1.966
82 HA LYS 14 HA LYS 14 -6.684 -7.481 0.098
83 HB2 LYS 14 1HB LYS 14 -7.651 -9.087 -1.575
84 HB3 LYS 14 2HB LYS 14 -6.691 -8.289 -2.813
85 HG2 LYS 14 1HG LYS 14 -4.680 -8.827 -1.305
86 HG3 LYS 14 2HG LYS 14 -5.773 -9.963 -0.510
87 HD2 LYS 14 1HD LYS 14 -5.897 -11.335 -2.340
88 HD3 LYS 14 2HD LYS 14 -5.598 -10.021 -3.480
89 HE2 LYS 14 1HE LYS 14 -3.433 -10.834 -1.597
90 HE3 LYS 14 2HE LYS 14 -3.766 -11.843 -3.004
91 HZ1 LYS 14 3HZ LYS 14 -2.666 -10.422 -4.272
92 HZ2 LYS 14 1HZ LYS 14 -2.265 -9.508 -2.906
93 HZ3 LYS 14 2HZ LYS 14 -3.659 -9.141 -3.791
94 H CYS 15 H CYS 15 -4.669 -6.747 0.376
95 HA CYS 15 HA CYS 15 -3.760 -4.503 -1.157
96 HB2 CYS 15 1HB CYS 15 -3.379 -4.784 1.306
97 HB3 CYS 15 2HB CYS 15 -2.240 -6.073 0.932
98 H ASN 16 H ASN 16 -3.321 -5.114 -3.242
99 HA ASN 16 HA ASN 16 -2.085 -7.405 -4.144
100 HB2 ASN 16 1HB ASN 16 -3.100 -5.840 -5.684
101 HB3 ASN 16 2HB ASN 16 -1.921 -4.600 -5.264
102 HD21 ASN 16 1HD2 ASN 16 -1.134 -4.349 -7.313
103 HD22 ASN 16 2HD2 ASN 16 -0.209 -5.560 -8.126
104 H GLU 17 H GLU 17 -0.728 -4.876 -2.313
105 HA GLU 17 HA GLU 17 1.979 -5.143 -3.186
106 HB2 GLU 17 1HB GLU 17 1.079 -4.081 -0.513
107 HB3 GLU 17 2HB GLU 17 2.544 -3.681 -1.398
108 HG2 GLU 17 1HG GLU 17 -0.194 -3.043 -2.447
109 HG3 GLU 17 2HG GLU 17 0.700 -1.951 -1.390
110 H CYS 18 H CYS 18 0.336 -6.123 -0.174
111 HA CYS 18 HA CYS 18 2.413 -8.182 0.179
112 HB2 CYS 18 1HB CYS 18 1.726 -8.139 2.596
113 HB3 CYS 18 2HB CYS 18 2.455 -6.644 2.018
114 H GLY 19 H GLY 19 -1.063 -7.542 0.520
115 HA2 GLY 19 1HA GLY 19 -2.419 -9.383 -0.578
116 HA3 GLY 19 2HA GLY 19 -1.517 -10.459 0.479
117 H LYS 20 H LYS 20 -1.869 -7.806 2.290
118 HA LYS 20 HA LYS 20 -3.653 -8.897 4.107
119 HB2 LYS 20 1HB LYS 20 -2.738 -6.081 3.600
120 HB3 LYS 20 2HB LYS 20 -3.922 -6.428 4.854
121 HG2 LYS 20 1HG LYS 20 -1.413 -8.014 4.831
122 HG3 LYS 20 2HG LYS 20 -1.335 -6.332 5.362
123 HD2 LYS 20 1HD LYS 20 -3.361 -8.260 6.464
124 HD3 LYS 20 2HD LYS 20 -1.742 -8.112 7.150
125 HE2 LYS 20 1HE LYS 20 -2.167 -5.672 7.439
126 HE3 LYS 20 2HE LYS 20 -3.828 -5.948 6.916
127 HZ1 LYS 20 3HZ LYS 20 -2.901 -7.659 9.064
128 HZ2 LYS 20 1HZ LYS 20 -4.381 -6.862 8.874
129 HZ3 LYS 20 2HZ LYS 20 -3.037 -6.020 9.462
130 H VAL 21 H VAL 21 -5.669 -7.390 4.804
131 HA VAL 21 HA VAL 21 -7.302 -6.708 2.491
132 HB VAL 21 HB VAL 21 -9.192 -8.099 3.743
133 HG11 VAL 21 1HG1 VAL 21 -7.420 -9.776 2.059
134 HG12 VAL 21 2HG1 VAL 21 -9.157 -9.485 1.940
135 HG13 VAL 21 3HG1 VAL 21 -8.016 -8.269 1.364
136 HG21 VAL 21 3HG2 VAL 21 -7.868 -8.964 5.528
137 HG22 VAL 21 1HG2 VAL 21 -8.218 -10.303 4.435
138 HG23 VAL 21 2HG2 VAL 21 -6.630 -9.537 4.411
139 H PHE 22 H PHE 22 -9.170 -5.471 3.012
140 HA PHE 22 HA PHE 22 -9.556 -4.654 5.771
141 HB2 PHE 22 1HB PHE 22 -8.977 -2.552 3.684
142 HB3 PHE 22 2HB PHE 22 -9.167 -2.324 5.419
143 HD1 PHE 22 HD2 PHE 22 -7.022 -4.155 2.983
144 HD2 PHE 22 HD1 PHE 22 -7.284 -2.145 6.725
145 HE1 PHE 22 HE2 PHE 22 -4.591 -4.389 3.275
146 HE2 PHE 22 HE1 PHE 22 -4.852 -2.375 7.023
147 HZ PHE 22 HZ PHE 22 -3.503 -3.500 5.297
148 H SER 23 H SER 23 -11.622 -4.081 6.192
149 HA SER 23 HA SER 23 -13.610 -4.595 4.233
150 HB2 SER 23 1HB SER 23 -13.725 -3.471 7.032
151 HB3 SER 23 2HB SER 23 -15.170 -3.683 6.043
152 HG SER 23 HG SER 23 -13.621 -5.557 7.332
153 H ARG 24 H ARG 24 -12.251 -1.650 5.615
154 HA ARG 24 HA ARG 24 -13.921 -0.053 3.797
155 HB2 ARG 24 1HB ARG 24 -12.680 0.465 6.449
156 HB3 ARG 24 2HB ARG 24 -12.792 1.821 5.335
157 HG2 ARG 24 1HG ARG 24 -15.194 1.526 5.176
158 HG3 ARG 24 2HG ARG 24 -15.105 0.114 6.232
159 HD2 ARG 24 1HD ARG 24 -13.895 1.854 7.826
160 HD3 ARG 24 2HD ARG 24 -14.842 3.002 6.881
161 HE ARG 24 HE ARG 24 -16.603 1.031 7.652
162 HH11 ARG 24 1HH1 ARG 24 -14.510 3.317 9.236
163 HH12 ARG 24 2HH1 ARG 24 -15.516 3.465 10.639
164 HH21 ARG 24 1HH2 ARG 24 -17.936 1.216 9.494
165 HH22 ARG 24 2HH2 ARG 24 -17.464 2.268 10.785
166 H ASN 25 H ASN 25 -13.031 0.893 2.082
167 HA ASN 25 HA ASN 25 -10.438 0.401 1.225
168 HB2 ASN 25 1HB ASN 25 -12.250 2.698 0.448
169 HB3 ASN 25 2HB ASN 25 -10.832 2.169 -0.454
170 HD21 ASN 25 1HD2 ASN 25 -10.864 0.049 -1.386
171 HD22 ASN 25 2HD2 ASN 25 -12.368 -0.674 -1.835
172 H SER 26 H SER 26 -11.739 3.145 3.020
173 HA SER 26 HA SER 26 -9.468 4.797 2.893
174 HB2 SER 26 1HB SER 26 -11.642 4.607 4.990
175 HB3 SER 26 2HB SER 26 -10.436 5.893 4.927
176 HG SER 26 HG SER 26 -11.987 6.765 3.749
177 H GLN 27 H GLN 27 -9.996 1.872 4.532
178 HA GLN 27 HA GLN 27 -7.963 2.401 6.558
179 HB2 GLN 27 1HB GLN 27 -9.748 0.016 6.060
180 HB3 GLN 27 2HB GLN 27 -8.537 0.083 7.333
181 HG2 GLN 27 1HG GLN 27 -10.545 2.263 7.202
182 HG3 GLN 27 2HG GLN 27 -11.065 0.679 7.776
183 HE21 GLN 27 1HE2 GLN 27 -11.313 1.024 9.895
184 HE22 GLN 27 2HE2 GLN 27 -10.072 1.581 10.960
185 H LEU 28 H LEU 28 -8.399 0.729 3.544
186 HA LEU 28 HA LEU 28 -5.986 -0.835 3.797
187 HB2 LEU 28 1HB LEU 28 -7.491 -1.951 2.486
188 HB3 LEU 28 2HB LEU 28 -8.107 -0.474 1.748
189 HG LEU 28 HG LEU 28 -5.873 -0.380 0.502
190 HD11 LEU 28 1HD1 LEU 28 -4.996 -2.775 0.150
191 HD12 LEU 28 2HD1 LEU 28 -5.765 -3.124 1.697
192 HD13 LEU 28 3HD1 LEU 28 -4.500 -1.899 1.598
193 HD21 LEU 28 3HD2 LEU 28 -8.297 -1.386 -0.158
194 HD22 LEU 28 1HD2 LEU 28 -7.269 -2.791 -0.438
195 HD23 LEU 28 2HD2 LEU 28 -6.932 -1.273 -1.271
196 H SER 29 H SER 29 -7.041 2.010 1.961
197 HA SER 29 HA SER 29 -4.747 2.434 0.455
198 HB2 SER 29 1HB SER 29 -6.909 3.670 0.204
199 HB3 SER 29 2HB SER 29 -6.499 4.594 1.649
200 HG SER 29 HG SER 29 -5.578 5.858 0.230
201 H GLN 30 H GLN 30 -5.517 3.533 3.734
202 HA GLN 30 HA GLN 30 -3.186 5.068 4.123
203 HB2 GLN 30 1HB GLN 30 -3.742 5.019 6.478
204 HB3 GLN 30 2HB GLN 30 -5.210 5.239 5.536
205 HG2 GLN 30 1HG GLN 30 -5.866 2.982 5.879
206 HG3 GLN 30 2HG GLN 30 -4.303 2.573 6.584
207 HE21 GLN 30 1HE2 GLN 30 -7.363 4.124 7.091
208 HE22 GLN 30 2HE2 GLN 30 -7.222 4.303 8.804
209 H HIS 31 H HIS 31 -3.646 1.715 3.931
210 HA HIS 31 HA HIS 31 -1.277 1.089 5.519
211 HB2 HIS 31 1HB HIS 31 -2.951 -0.484 5.944
212 HB3 HIS 31 2HB HIS 31 -3.452 -0.552 4.258
213 HD1 HIS 31 HD1 HIS 31 -0.618 -1.692 6.494
214 HD2 HIS 31 HD2 HIS 31 -2.308 -2.561 2.799
215 HE1 HIS 31 HE1 HIS 31 0.539 -3.778 5.699
216 H GLN 32 H GLN 32 -2.466 0.756 2.190
217 HA GLN 32 HA GLN 32 -0.265 -0.487 1.056
218 HB2 GLN 32 1HB GLN 32 -2.219 1.501 -0.091
219 HB3 GLN 32 2HB GLN 32 -0.986 0.716 -1.068
220 HG2 GLN 32 1HG GLN 32 -1.967 -1.482 -0.203
221 HG3 GLN 32 2HG GLN 32 -3.344 -0.508 0.310
222 HE21 GLN 32 1HE2 GLN 32 -3.957 -2.391 -1.387
223 HE22 GLN 32 2HE2 GLN 32 -4.208 -1.786 -2.985
224 H LYS 33 H LYS 33 -0.759 2.885 1.882
225 HA LYS 33 HA LYS 33 1.225 4.150 0.474
226 HB2 LYS 33 1HB LYS 33 1.286 5.807 2.236
227 HB3 LYS 33 2HB LYS 33 -0.373 5.270 2.002
228 HG2 LYS 33 1HG LYS 33 -0.002 3.695 3.941
229 HG3 LYS 33 2HG LYS 33 1.503 4.568 4.240
230 HD2 LYS 33 1HD LYS 33 -1.210 5.877 4.094
231 HD3 LYS 33 2HD LYS 33 -0.444 5.358 5.597
232 HE2 LYS 33 1HE LYS 33 1.220 6.964 5.452
233 HE3 LYS 33 2HE LYS 33 1.024 7.156 3.711
234 HZ1 LYS 33 3HZ LYS 33 -0.717 8.195 5.867
235 HZ2 LYS 33 1HZ LYS 33 -1.232 8.113 4.257
236 HZ3 LYS 33 2HZ LYS 33 0.102 9.067 4.671
237 H ILE 34 H ILE 34 1.585 1.750 2.885
238 HA ILE 34 HA ILE 34 4.211 2.425 3.761
239 HB ILE 34 HB ILE 34 4.245 0.377 4.906
240 HG12 ILE 34 1HG1 ILE 34 2.069 -0.599 3.042
241 HG13 ILE 34 2HG1 ILE 34 3.764 -1.071 2.973
242 HG21 ILE 34 1HG2 ILE 34 2.677 1.283 6.209
243 HG22 ILE 34 2HG2 ILE 34 1.747 1.860 4.827
244 HG23 ILE 34 3HG2 ILE 34 1.539 0.205 5.400
245 HD11 ILE 34 3HD1 ILE 34 3.510 -2.592 4.575
246 HD12 ILE 34 1HD1 ILE 34 2.563 -1.502 5.587
247 HD13 ILE 34 2HD1 ILE 34 1.779 -2.408 4.292
248 H HIS 35 H HIS 35 2.908 0.422 1.182
249 HA HIS 35 HA HIS 35 5.513 -0.595 0.441
250 HB2 HIS 35 1HB HIS 35 2.904 -0.826 -1.068
251 HB3 HIS 35 2HB HIS 35 4.353 -1.798 -1.306
252 HD1 HIS 35 HD1 HIS 35 5.002 -3.364 0.818
253 HD2 HIS 35 HD2 HIS 35 1.125 -1.876 0.699
254 HE1 HIS 35 HE1 HIS 35 3.682 -4.799 2.406
255 H THR 36 H THR 36 4.910 2.329 0.382
256 HA THR 36 HA THR 36 5.135 2.925 -2.473
257 HB THR 36 HB THR 36 4.819 5.254 -1.875
258 HG1 THR 36 HG1 THR 36 4.781 5.929 0.225
259 HG21 THR 36 3HG2 THR 36 2.767 4.109 -2.144
260 HG22 THR 36 1HG2 THR 36 2.591 5.057 -0.668
261 HG23 THR 36 2HG2 THR 36 2.910 3.325 -0.572
262 H GLY 37 H GLY 37 7.012 3.413 -3.419
263 HA2 GLY 37 1HA GLY 37 9.231 3.927 -3.705
264 HA3 GLY 37 2HA GLY 37 9.120 4.831 -2.202
265 H GLU 38 H GLU 38 10.772 2.444 -3.666
266 HA GLU 38 HA GLU 38 12.079 1.595 -1.323
267 HB2 GLU 38 1HB GLU 38 9.849 0.344 -1.180
268 HB3 GLU 38 2HB GLU 38 10.419 -0.599 -2.549
269 HG2 GLU 38 1HG GLU 38 10.822 -1.752 -0.451
270 HG3 GLU 38 2HG GLU 38 12.336 -1.349 -1.259
271 H LYS 39 H LYS 39 14.078 1.345 -2.037
272 HA LYS 39 HA LYS 39 14.563 0.591 -4.803
273 HB2 LYS 39 1HB LYS 39 16.884 1.201 -4.356
274 HB3 LYS 39 2HB LYS 39 15.796 2.484 -3.841
275 HG2 LYS 39 1HG LYS 39 17.170 2.419 -2.038
276 HG3 LYS 39 2HG LYS 39 15.982 1.218 -1.527
277 HD2 LYS 39 1HD LYS 39 17.960 0.104 -1.124
278 HD3 LYS 39 2HD LYS 39 17.573 -0.453 -2.754
279 HE2 LYS 39 1HE LYS 39 19.911 0.155 -2.625
280 HE3 LYS 39 2HE LYS 39 19.055 1.284 -3.674
281 HZ1 LYS 39 3HZ LYS 39 19.716 1.800 -0.825
282 HZ2 LYS 39 1HZ LYS 39 19.007 2.890 -1.908
283 HZ3 LYS 39 2HZ LYS 39 20.604 2.385 -2.141
284 HA PRO 40 HA PRO 40 15.486 -3.631 -3.971
285 HB2 PRO 40 1HB PRO 40 17.134 -4.145 -6.066
286 HB3 PRO 40 2HB PRO 40 15.387 -3.947 -6.245
287 HG2 PRO 40 1HG PRO 40 17.578 -1.970 -6.748
288 HG3 PRO 40 2HG PRO 40 16.132 -2.309 -7.718
289 HD2 PRO 40 1HD PRO 40 16.298 -0.188 -6.043
290 HD3 PRO 40 2HD PRO 40 14.771 -1.035 -6.364
291 H SER 41 H SER 41 18.335 -1.747 -5.015
292 HA SER 41 HA SER 41 20.407 -1.518 -4.081
293 HB2 SER 41 1HB SER 41 18.934 -1.724 -1.889
294 HB3 SER 41 2HB SER 41 19.743 -3.286 -1.764
295 HG SER 41 HG SER 41 21.690 -1.758 -2.263
296 H GLY 42 H GLY 42 19.837 -3.532 -5.960
297 HA2 GLY 42 1HA GLY 42 21.618 -5.713 -5.060
298 HA3 GLY 42 2HA GLY 42 20.337 -5.922 -6.245
299 HA PRO 43 HA PRO 43 24.230 -5.423 -8.635
300 HB2 PRO 43 1HB PRO 43 23.538 -7.225 -10.544
301 HB3 PRO 43 2HB PRO 43 24.297 -7.687 -9.016
302 HG2 PRO 43 1HG PRO 43 21.409 -7.774 -9.799
303 HG3 PRO 43 2HG PRO 43 22.366 -8.978 -8.916
304 HD2 PRO 43 1HD PRO 43 20.691 -7.252 -7.673
305 HD3 PRO 43 2HD PRO 43 22.186 -7.842 -6.919
306 H SER 44 H SER 44 24.075 -3.495 -9.634
307 HA SER 44 HA SER 44 21.836 -2.951 -11.421
308 HB2 SER 44 1HB SER 44 22.726 -0.650 -11.481
309 HB3 SER 44 2HB SER 44 22.475 -1.203 -9.826
310 HG SER 44 HG SER 44 24.515 -0.898 -9.486
311 H SER 45 H SER 45 22.647 -1.476 -13.390
312 HA SER 45 HA SER 45 24.112 -3.276 -15.076
313 HB2 SER 45 1HB SER 45 22.290 -2.119 -16.093
314 HB3 SER 45 2HB SER 45 22.887 -0.554 -15.542
315 HG SER 45 HG SER 45 24.504 -2.135 -17.202
316 H GLY 46 H GLY 46 26.251 -3.418 -14.715
317 HA2 GLY 46 1HA GLY 46 27.812 -0.942 -14.986
318 HA3 GLY 46 2HA GLY 46 28.126 -2.001 -13.620
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -17.440 -22.056 -24.197
2 HA2 GLY 1 1HA GLY 1 -17.999 -23.180 -21.877
3 HA3 GLY 1 2HA GLY 1 -16.471 -22.417 -21.462
4 H SER 2 H SER 2 -19.597 -22.042 -21.007
5 HA SER 2 HA SER 2 -19.371 -19.141 -20.794
6 HB2 SER 2 1HB SER 2 -20.453 -19.363 -22.933
7 HB3 SER 2 2HB SER 2 -21.588 -20.552 -22.293
8 HG SER 2 HG SER 2 -22.699 -18.685 -22.245
9 H SER 3 H SER 3 -20.121 -18.448 -18.899
10 HA SER 3 HA SER 3 -22.409 -19.558 -17.609
11 HB2 SER 3 1HB SER 3 -20.429 -21.197 -17.155
12 HB3 SER 3 2HB SER 3 -19.883 -19.951 -16.032
13 HG SER 3 HG SER 3 -21.329 -20.640 -14.690
14 H GLY 4 H GLY 4 -22.674 -18.585 -15.359
15 HA2 GLY 4 1HA GLY 4 -21.284 -16.005 -15.119
16 HA3 GLY 4 2HA GLY 4 -23.040 -16.029 -15.178
17 H SER 5 H SER 5 -20.485 -15.841 -13.143
18 HA SER 5 HA SER 5 -22.135 -16.621 -10.863
19 HB2 SER 5 1HB SER 5 -20.264 -17.834 -9.804
20 HB3 SER 5 2HB SER 5 -20.760 -18.599 -11.314
21 HG SER 5 HG SER 5 -18.997 -17.510 -12.324
22 H SER 6 H SER 6 -22.281 -14.803 -9.734
23 HA SER 6 HA SER 6 -20.004 -13.560 -8.592
24 HB2 SER 6 1HB SER 6 -20.218 -11.342 -9.652
25 HB3 SER 6 2HB SER 6 -19.777 -12.581 -10.827
26 HG SER 6 HG SER 6 -21.729 -10.936 -11.068
27 H GLY 7 H GLY 7 -20.668 -12.928 -6.653
28 HA2 GLY 7 1HA GLY 7 -23.522 -12.432 -6.229
29 HA3 GLY 7 2HA GLY 7 -22.328 -12.744 -4.978
30 H THR 8 H THR 8 -24.173 -10.398 -6.486
31 HA THR 8 HA THR 8 -22.545 -8.125 -6.394
32 HB THR 8 HB THR 8 -24.741 -8.147 -7.503
33 HG1 THR 8 HG1 THR 8 -24.421 -6.219 -5.427
34 HG21 THR 8 3HG2 THR 8 -26.785 -8.187 -6.349
35 HG22 THR 8 1HG2 THR 8 -26.014 -7.891 -4.792
36 HG23 THR 8 2HG2 THR 8 -25.828 -9.455 -5.585
37 H GLY 9 H GLY 9 -21.722 -6.977 -4.768
38 HA2 GLY 9 1HA GLY 9 -23.019 -6.394 -2.353
39 HA3 GLY 9 2HA GLY 9 -21.971 -7.779 -2.080
40 H GLU 10 H GLU 10 -20.129 -7.193 -1.164
41 HA GLU 10 HA GLU 10 -18.868 -4.680 -2.050
42 HB2 GLU 10 1HB GLU 10 -19.658 -4.426 0.224
43 HB3 GLU 10 2HB GLU 10 -18.876 -5.926 0.702
44 HG2 GLU 10 1HG GLU 10 -16.792 -4.994 0.743
45 HG3 GLU 10 2HG GLU 10 -17.199 -3.762 -0.450
46 H LYS 11 H LYS 11 -16.880 -4.840 -2.861
47 HA LYS 11 HA LYS 11 -15.614 -7.434 -2.996
48 HB2 LYS 11 1HB LYS 11 -14.146 -6.472 -4.596
49 HB3 LYS 11 2HB LYS 11 -15.738 -5.797 -4.919
50 HG2 LYS 11 1HG LYS 11 -14.925 -3.855 -3.390
51 HG3 LYS 11 2HG LYS 11 -13.319 -4.480 -3.775
52 HD2 LYS 11 1HD LYS 11 -15.263 -4.010 -5.989
53 HD3 LYS 11 2HD LYS 11 -14.436 -2.628 -5.266
54 HE2 LYS 11 1HE LYS 11 -13.041 -5.068 -6.357
55 HE3 LYS 11 2HE LYS 11 -13.289 -3.578 -7.266
56 HZ1 LYS 11 3HZ LYS 11 -11.111 -3.557 -6.318
57 HZ2 LYS 11 1HZ LYS 11 -11.710 -3.897 -4.773
58 HZ3 LYS 11 2HZ LYS 11 -12.044 -2.407 -5.501
59 H ARG 12 H ARG 12 -13.933 -8.130 -1.824
60 HA ARG 12 HA ARG 12 -13.041 -6.584 0.415
61 HB2 ARG 12 1HB ARG 12 -12.053 -9.241 -0.637
62 HB3 ARG 12 2HB ARG 12 -11.636 -8.543 0.922
63 HG2 ARG 12 1HG ARG 12 -14.174 -8.534 1.353
64 HG3 ARG 12 2HG ARG 12 -14.251 -9.665 0.000
65 HD2 ARG 12 1HD ARG 12 -13.110 -11.309 1.135
66 HD3 ARG 12 2HD ARG 12 -12.292 -10.158 2.192
67 HE ARG 12 HE ARG 12 -14.901 -11.343 2.587
68 HH11 ARG 12 1HH1 ARG 12 -12.688 -8.806 3.475
69 HH12 ARG 12 2HH1 ARG 12 -13.444 -8.503 5.004
70 HH21 ARG 12 1HH2 ARG 12 -15.904 -10.954 4.598
71 HH22 ARG 12 2HH2 ARG 12 -15.273 -9.727 5.642
72 H TYR 13 H TYR 13 -11.661 -4.956 0.146
73 HA TYR 13 HA TYR 13 -9.873 -4.723 -2.037
74 HB2 TYR 13 1HB TYR 13 -9.525 -3.229 0.547
75 HB3 TYR 13 2HB TYR 13 -9.206 -2.682 -1.096
76 HD1 TYR 13 HD2 TYR 13 -11.644 -3.204 -2.530
77 HD2 TYR 13 HD1 TYR 13 -11.142 -1.867 1.478
78 HE1 TYR 13 HE2 TYR 13 -13.862 -2.144 -2.612
79 HE2 TYR 13 HE1 TYR 13 -13.359 -0.804 1.407
80 HH TYR 13 HH TYR 13 -15.055 -0.278 -1.441
81 H LYS 14 H LYS 14 -8.406 -6.342 -2.224
82 HA LYS 14 HA LYS 14 -6.821 -7.142 0.085
83 HB2 LYS 14 1HB LYS 14 -7.724 -8.844 -1.491
84 HB3 LYS 14 2HB LYS 14 -6.717 -8.160 -2.760
85 HG2 LYS 14 1HG LYS 14 -4.762 -8.626 -1.136
86 HG3 LYS 14 2HG LYS 14 -5.906 -9.705 -0.334
87 HD2 LYS 14 1HD LYS 14 -6.025 -11.137 -2.141
88 HD3 LYS 14 2HD LYS 14 -5.540 -9.890 -3.293
89 HE2 LYS 14 1HE LYS 14 -3.272 -10.002 -2.579
90 HE3 LYS 14 2HE LYS 14 -3.693 -11.011 -1.195
91 HZ1 LYS 14 3HZ LYS 14 -2.947 -12.587 -2.634
92 HZ2 LYS 14 1HZ LYS 14 -3.432 -11.741 -4.017
93 HZ3 LYS 14 2HZ LYS 14 -4.576 -12.573 -3.091
94 H CYS 15 H CYS 15 -4.878 -6.341 0.524
95 HA CYS 15 HA CYS 15 -3.713 -4.292 -1.044
96 HB2 CYS 15 1HB CYS 15 -3.493 -4.695 1.485
97 HB3 CYS 15 2HB CYS 15 -2.249 -5.867 1.065
98 H ASN 16 H ASN 16 -3.566 -5.384 -3.114
99 HA ASN 16 HA ASN 16 -2.284 -7.630 -3.847
100 HB2 ASN 16 1HB ASN 16 -1.659 -6.546 -5.938
101 HB3 ASN 16 2HB ASN 16 -3.255 -5.998 -5.434
102 HD21 ASN 16 1HD2 ASN 16 -3.609 -3.890 -5.298
103 HD22 ASN 16 2HD2 ASN 16 -2.394 -2.663 -5.358
104 H GLU 17 H GLU 17 -0.804 -4.843 -2.416
105 HA GLU 17 HA GLU 17 1.868 -5.280 -3.163
106 HB2 GLU 17 1HB GLU 17 0.588 -3.906 -0.814
107 HB3 GLU 17 2HB GLU 17 2.336 -4.035 -0.950
108 HG2 GLU 17 1HG GLU 17 1.588 -1.901 -1.785
109 HG3 GLU 17 2HG GLU 17 2.250 -2.869 -3.101
110 H CYS 18 H CYS 18 0.487 -5.914 0.063
111 HA CYS 18 HA CYS 18 2.504 -7.985 0.475
112 HB2 CYS 18 1HB CYS 18 1.598 -7.963 2.836
113 HB3 CYS 18 2HB CYS 18 2.333 -6.456 2.296
114 H GLY 19 H GLY 19 -1.007 -7.574 0.397
115 HA2 GLY 19 1HA GLY 19 -2.290 -9.394 -0.629
116 HA3 GLY 19 2HA GLY 19 -1.242 -10.514 0.230
117 H LYS 20 H LYS 20 -2.306 -7.672 1.875
118 HA LYS 20 HA LYS 20 -3.830 -9.327 3.722
119 HB2 LYS 20 1HB LYS 20 -2.627 -6.599 3.804
120 HB3 LYS 20 2HB LYS 20 -3.994 -6.932 4.860
121 HG2 LYS 20 1HG LYS 20 -2.649 -8.996 5.600
122 HG3 LYS 20 2HG LYS 20 -1.273 -8.177 4.856
123 HD2 LYS 20 1HD LYS 20 -1.100 -7.379 6.993
124 HD3 LYS 20 2HD LYS 20 -2.149 -6.144 6.294
125 HE2 LYS 20 1HE LYS 20 -4.059 -7.027 7.316
126 HE3 LYS 20 2HE LYS 20 -3.282 -8.577 7.634
127 HZ1 LYS 20 3HZ LYS 20 -3.515 -7.217 9.639
128 HZ2 LYS 20 1HZ LYS 20 -2.555 -6.011 8.941
129 HZ3 LYS 20 2HZ LYS 20 -1.891 -7.529 9.281
130 H VAL 21 H VAL 21 -5.776 -7.913 4.723
131 HA VAL 21 HA VAL 21 -7.371 -6.761 2.557
132 HB VAL 21 HB VAL 21 -9.359 -8.115 3.533
133 HG11 VAL 21 1HG1 VAL 21 -8.122 -8.306 1.261
134 HG12 VAL 21 2HG1 VAL 21 -7.445 -9.783 1.950
135 HG13 VAL 21 3HG1 VAL 21 -9.192 -9.611 1.774
136 HG21 VAL 21 3HG2 VAL 21 -8.435 -9.179 5.399
137 HG22 VAL 21 1HG2 VAL 21 -8.519 -10.452 4.181
138 HG23 VAL 21 2HG2 VAL 21 -6.982 -9.658 4.523
139 H PHE 22 H PHE 22 -9.199 -5.528 3.295
140 HA PHE 22 HA PHE 22 -9.253 -4.904 6.153
141 HB2 PHE 22 1HB PHE 22 -9.091 -2.751 4.038
142 HB3 PHE 22 2HB PHE 22 -9.115 -2.524 5.784
143 HD1 PHE 22 HD2 PHE 22 -7.122 -4.238 3.141
144 HD2 PHE 22 HD1 PHE 22 -7.121 -2.208 6.882
145 HE1 PHE 22 HE2 PHE 22 -4.663 -4.315 3.178
146 HE2 PHE 22 HE1 PHE 22 -4.662 -2.281 6.925
147 HZ PHE 22 HZ PHE 22 -3.430 -3.337 5.072
148 H SER 23 H SER 23 -11.169 -3.678 6.793
149 HA SER 23 HA SER 23 -13.514 -4.716 5.582
150 HB2 SER 23 1HB SER 23 -13.610 -4.325 7.922
151 HB3 SER 23 2HB SER 23 -13.054 -2.661 7.744
152 HG SER 23 HG SER 23 -15.141 -2.301 7.851
153 H ARG 24 H ARG 24 -12.063 -1.479 5.657
154 HA ARG 24 HA ARG 24 -13.790 -0.752 3.384
155 HB2 ARG 24 1HB ARG 24 -12.814 1.113 5.554
156 HB3 ARG 24 2HB ARG 24 -13.854 1.539 4.201
157 HG2 ARG 24 1HG ARG 24 -14.718 -0.589 6.102
158 HG3 ARG 24 2HG ARG 24 -14.869 1.110 6.557
159 HD2 ARG 24 1HD ARG 24 -16.335 1.566 4.778
160 HD3 ARG 24 2HD ARG 24 -15.922 0.068 3.946
161 HE ARG 24 HE ARG 24 -17.104 -0.405 6.501
162 HH11 ARG 24 1HH1 ARG 24 -17.803 0.376 3.181
163 HH12 ARG 24 2HH1 ARG 24 -19.400 -0.293 3.223
164 HH21 ARG 24 1HH2 ARG 24 -19.206 -1.290 6.569
165 HH22 ARG 24 2HH2 ARG 24 -20.197 -1.240 5.151
166 H ASN 25 H ASN 25 -12.872 0.986 2.010
167 HA ASN 25 HA ASN 25 -10.175 0.350 1.309
168 HB2 ASN 25 1HB ASN 25 -11.665 0.840 -0.485
169 HB3 ASN 25 2HB ASN 25 -12.155 2.365 0.247
170 HD21 ASN 25 1HD2 ASN 25 -10.075 0.860 -1.919
171 HD22 ASN 25 2HD2 ASN 25 -9.029 2.198 -2.238
172 H SER 26 H SER 26 -11.782 3.066 2.873
173 HA SER 26 HA SER 26 -9.673 4.895 2.864
174 HB2 SER 26 1HB SER 26 -12.024 4.474 4.689
175 HB3 SER 26 2HB SER 26 -10.825 5.717 5.046
176 HG SER 26 HG SER 26 -12.472 5.488 2.753
177 H GLN 27 H GLN 27 -10.033 1.956 4.567
178 HA GLN 27 HA GLN 27 -8.027 2.682 6.566
179 HB2 GLN 27 1HB GLN 27 -9.843 0.303 6.234
180 HB3 GLN 27 2HB GLN 27 -8.517 0.305 7.389
181 HG2 GLN 27 1HG GLN 27 -9.495 2.292 8.466
182 HG3 GLN 27 2HG GLN 27 -10.852 2.202 7.344
183 HE21 GLN 27 1HE2 GLN 27 -12.580 1.306 8.182
184 HE22 GLN 27 2HE2 GLN 27 -12.612 0.057 9.375
185 H LEU 28 H LEU 28 -8.395 0.912 3.622
186 HA LEU 28 HA LEU 28 -5.958 -0.609 3.955
187 HB2 LEU 28 1HB LEU 28 -7.478 -1.790 2.697
188 HB3 LEU 28 2HB LEU 28 -8.050 -0.355 1.850
189 HG LEU 28 HG LEU 28 -5.768 -0.368 0.680
190 HD11 LEU 28 1HD1 LEU 28 -4.940 -2.130 2.387
191 HD12 LEU 28 2HD1 LEU 28 -4.466 -2.278 0.695
192 HD13 LEU 28 3HD1 LEU 28 -5.764 -3.284 1.338
193 HD21 LEU 28 3HD2 LEU 28 -7.209 -2.797 -0.158
194 HD22 LEU 28 1HD2 LEU 28 -6.773 -1.357 -1.078
195 HD23 LEU 28 2HD2 LEU 28 -8.186 -1.334 -0.022
196 H SER 29 H SER 29 -7.071 2.103 1.951
197 HA SER 29 HA SER 29 -4.826 2.539 0.420
198 HB2 SER 29 1HB SER 29 -6.887 3.804 0.095
199 HB3 SER 29 2HB SER 29 -6.663 4.612 1.646
200 HG SER 29 HG SER 29 -5.622 5.231 -0.761
201 H GLN 30 H GLN 30 -5.488 3.762 3.687
202 HA GLN 30 HA GLN 30 -3.107 5.239 3.964
203 HB2 GLN 30 1HB GLN 30 -3.606 5.296 6.331
204 HB3 GLN 30 2HB GLN 30 -5.092 5.516 5.416
205 HG2 GLN 30 1HG GLN 30 -5.914 3.441 5.992
206 HG3 GLN 30 2HG GLN 30 -4.314 2.792 6.350
207 HE21 GLN 30 1HE2 GLN 30 -7.101 4.253 7.600
208 HE22 GLN 30 2HE2 GLN 30 -6.558 4.461 9.227
209 H HIS 31 H HIS 31 -3.669 1.892 3.927
210 HA HIS 31 HA HIS 31 -1.268 1.268 5.467
211 HB2 HIS 31 1HB HIS 31 -2.948 -0.242 6.031
212 HB3 HIS 31 2HB HIS 31 -3.546 -0.349 4.378
213 HD1 HIS 31 HD1 HIS 31 -0.949 -1.745 6.673
214 HD2 HIS 31 HD2 HIS 31 -2.237 -2.216 2.751
215 HE1 HIS 31 HE1 HIS 31 0.170 -3.839 5.846
216 H GLN 32 H GLN 32 -2.600 0.644 2.223
217 HA GLN 32 HA GLN 32 -0.495 -0.671 1.066
218 HB2 GLN 32 1HB GLN 32 -2.128 1.480 -0.289
219 HB3 GLN 32 2HB GLN 32 -1.275 0.157 -1.074
220 HG2 GLN 32 1HG GLN 32 -2.760 -1.448 0.009
221 HG3 GLN 32 2HG GLN 32 -3.613 -0.124 0.800
222 HE21 GLN 32 1HE2 GLN 32 -4.267 -2.247 -1.314
223 HE22 GLN 32 2HE2 GLN 32 -5.084 -1.348 -2.542
224 H LYS 33 H LYS 33 -0.785 2.757 1.750
225 HA LYS 33 HA LYS 33 1.226 3.842 0.231
226 HB2 LYS 33 1HB LYS 33 1.412 5.583 1.896
227 HB3 LYS 33 2HB LYS 33 -0.277 5.118 1.738
228 HG2 LYS 33 1HG LYS 33 0.043 3.652 3.751
229 HG3 LYS 33 2HG LYS 33 1.627 4.405 3.952
230 HD2 LYS 33 1HD LYS 33 -0.963 5.943 3.823
231 HD3 LYS 33 2HD LYS 33 -0.200 5.425 5.328
232 HE2 LYS 33 1HE LYS 33 1.157 7.138 3.254
233 HE3 LYS 33 2HE LYS 33 0.296 7.784 4.650
234 HZ1 LYS 33 3HZ LYS 33 2.056 5.852 5.594
235 HZ2 LYS 33 1HZ LYS 33 2.141 7.526 5.819
236 HZ3 LYS 33 2HZ LYS 33 2.933 6.808 4.508
237 H ILE 34 H ILE 34 1.505 1.825 3.069
238 HA ILE 34 HA ILE 34 4.110 2.297 3.855
239 HB ILE 34 HB ILE 34 4.130 0.156 4.868
240 HG12 ILE 34 1HG1 ILE 34 1.902 -0.622 2.972
241 HG13 ILE 34 2HG1 ILE 34 3.574 -1.164 2.866
242 HG21 ILE 34 1HG2 ILE 34 1.381 0.103 5.317
243 HG22 ILE 34 2HG2 ILE 34 2.597 0.968 6.257
244 HG23 ILE 34 3HG2 ILE 34 1.752 1.786 4.943
245 HD11 ILE 34 3HD1 ILE 34 1.437 -2.329 4.286
246 HD12 ILE 34 1HD1 ILE 34 3.119 -2.855 4.209
247 HD13 ILE 34 2HD1 ILE 34 2.600 -1.739 5.473
248 H HIS 35 H HIS 35 2.925 0.546 1.074
249 HA HIS 35 HA HIS 35 5.582 -0.444 0.412
250 HB2 HIS 35 1HB HIS 35 3.159 -0.716 -1.345
251 HB3 HIS 35 2HB HIS 35 4.558 -1.779 -1.223
252 HD1 HIS 35 HD1 HIS 35 4.707 -3.124 1.152
253 HD2 HIS 35 HD2 HIS 35 1.014 -1.539 0.098
254 HE1 HIS 35 HE1 HIS 35 3.024 -4.341 2.570
255 H THR 36 H THR 36 4.696 2.470 0.379
256 HA THR 36 HA THR 36 5.677 3.051 -2.336
257 HB THR 36 HB THR 36 4.189 4.856 -2.630
258 HG1 THR 36 HG1 THR 36 3.082 4.533 -0.046
259 HG21 THR 36 3HG2 THR 36 1.902 3.716 -1.813
260 HG22 THR 36 1HG2 THR 36 2.987 2.337 -1.644
261 HG23 THR 36 2HG2 THR 36 2.818 3.139 -3.205
262 H GLY 37 H GLY 37 7.375 4.393 -2.427
263 HA2 GLY 37 1HA GLY 37 8.389 6.491 -1.636
264 HA3 GLY 37 2HA GLY 37 8.011 5.961 -0.004
265 H GLU 38 H GLU 38 8.830 3.249 -0.309
266 HA GLU 38 HA GLU 38 11.475 3.048 -1.290
267 HB2 GLU 38 1HB GLU 38 11.821 4.596 0.664
268 HB3 GLU 38 2HB GLU 38 11.282 3.292 1.713
269 HG2 GLU 38 1HG GLU 38 13.141 1.925 1.072
270 HG3 GLU 38 2HG GLU 38 13.635 3.095 -0.150
271 H LYS 39 H LYS 39 11.460 0.990 -1.878
272 HA LYS 39 HA LYS 39 10.361 -1.001 -0.001
273 HB2 LYS 39 1HB LYS 39 9.966 -2.376 -2.132
274 HB3 LYS 39 2HB LYS 39 8.877 -1.032 -1.817
275 HG2 LYS 39 1HG LYS 39 9.744 0.248 -3.524
276 HG3 LYS 39 2HG LYS 39 11.287 -0.611 -3.525
277 HD2 LYS 39 1HD LYS 39 10.045 -2.627 -4.371
278 HD3 LYS 39 2HD LYS 39 8.633 -1.587 -4.570
279 HE2 LYS 39 1HE LYS 39 11.241 -0.781 -5.780
280 HE3 LYS 39 2HE LYS 39 10.264 -2.016 -6.572
281 HZ1 LYS 39 3HZ LYS 39 9.785 0.835 -6.304
282 HZ2 LYS 39 1HZ LYS 39 8.425 -0.154 -6.117
283 HZ3 LYS 39 2HZ LYS 39 9.335 -0.228 -7.541
284 HA PRO 40 HA PRO 40 14.840 -1.945 -0.529
285 HB2 PRO 40 1HB PRO 40 15.191 -2.744 2.042
286 HB3 PRO 40 2HB PRO 40 15.288 -1.052 1.540
287 HG2 PRO 40 1HG PRO 40 13.013 -2.522 2.813
288 HG3 PRO 40 2HG PRO 40 13.632 -0.898 3.164
289 HD2 PRO 40 1HD PRO 40 11.426 -1.321 1.651
290 HD3 PRO 40 2HD PRO 40 12.524 0.047 1.378
291 H SER 41 H SER 41 12.022 -3.683 0.264
292 HA SER 41 HA SER 41 13.399 -6.257 0.374
293 HB2 SER 41 1HB SER 41 11.138 -7.174 0.859
294 HB3 SER 41 2HB SER 41 11.622 -5.920 2.001
295 HG SER 41 HG SER 41 9.651 -5.268 1.453
296 H GLY 42 H GLY 42 10.842 -4.656 -1.522
297 HA2 GLY 42 1HA GLY 42 10.494 -4.791 -3.821
298 HA3 GLY 42 2HA GLY 42 11.764 -6.002 -3.916
299 HA PRO 43 HA PRO 43 7.757 -8.349 -2.546
300 HB2 PRO 43 1HB PRO 43 5.437 -6.942 -2.655
301 HB3 PRO 43 2HB PRO 43 6.445 -7.021 -1.205
302 HG2 PRO 43 1HG PRO 43 6.275 -4.869 -3.279
303 HG3 PRO 43 2HG PRO 43 6.359 -4.718 -1.514
304 HD2 PRO 43 1HD PRO 43 8.516 -4.361 -3.111
305 HD3 PRO 43 2HD PRO 43 8.643 -5.027 -1.470
306 H SER 44 H SER 44 7.976 -6.107 -5.148
307 HA SER 44 HA SER 44 5.938 -6.934 -6.843
308 HB2 SER 44 1HB SER 44 7.260 -6.015 -8.660
309 HB3 SER 44 2HB SER 44 7.434 -4.980 -7.243
310 HG SER 44 HG SER 44 9.321 -6.376 -8.601
311 H SER 45 H SER 45 5.802 -8.457 -8.498
312 HA SER 45 HA SER 45 7.924 -10.405 -8.833
313 HB2 SER 45 1HB SER 45 6.577 -12.332 -8.240
314 HB3 SER 45 2HB SER 45 6.618 -11.225 -6.868
315 HG SER 45 HG SER 45 4.547 -10.760 -8.603
316 H GLY 46 H GLY 46 7.853 -11.444 -10.791
317 HA2 GLY 46 1HA GLY 46 5.500 -10.920 -12.491
318 HA3 GLY 46 2HA GLY 46 7.122 -10.587 -13.079
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -3.760 -32.125 -3.355
2 HA2 GLY 1 1HA GLY 1 -3.760 -29.537 -1.932
3 HA3 GLY 1 2HA GLY 1 -4.346 -29.673 -3.583
4 H SER 2 H SER 2 -6.075 -28.600 -1.918
5 HA SER 2 HA SER 2 -8.187 -30.567 -1.802
6 HB2 SER 2 1HB SER 2 -7.081 -29.284 0.695
7 HB3 SER 2 2HB SER 2 -8.719 -29.931 0.615
8 HG SER 2 HG SER 2 -6.705 -31.604 -0.289
9 H SER 3 H SER 3 -10.290 -29.592 -1.332
10 HA SER 3 HA SER 3 -10.329 -26.738 -2.063
11 HB2 SER 3 1HB SER 3 -12.515 -27.158 -3.099
12 HB3 SER 3 2HB SER 3 -11.282 -28.210 -3.793
13 HG SER 3 HG SER 3 -13.477 -29.076 -3.003
14 H GLY 4 H GLY 4 -12.567 -25.737 -1.422
15 HA2 GLY 4 1HA GLY 4 -13.894 -26.684 0.885
16 HA3 GLY 4 2HA GLY 4 -12.644 -25.544 1.361
17 H SER 5 H SER 5 -13.672 -23.728 1.904
18 HA SER 5 HA SER 5 -15.135 -22.297 -0.134
19 HB2 SER 5 1HB SER 5 -17.165 -21.978 1.177
20 HB3 SER 5 2HB SER 5 -16.893 -23.701 0.918
21 HG SER 5 HG SER 5 -17.340 -22.637 3.183
22 H SER 6 H SER 6 -15.424 -20.070 0.358
23 HA SER 6 HA SER 6 -13.416 -19.073 2.201
24 HB2 SER 6 1HB SER 6 -13.804 -18.205 -0.185
25 HB3 SER 6 2HB SER 6 -15.222 -17.388 0.471
26 HG SER 6 HG SER 6 -13.963 -15.958 1.354
27 H GLY 7 H GLY 7 -16.865 -18.380 1.578
28 HA2 GLY 7 1HA GLY 7 -18.515 -18.303 3.290
29 HA3 GLY 7 2HA GLY 7 -17.239 -18.031 4.468
30 H THR 8 H THR 8 -15.933 -15.909 3.868
31 HA THR 8 HA THR 8 -17.783 -13.770 4.203
32 HB THR 8 HB THR 8 -15.515 -13.800 5.232
33 HG1 THR 8 HG1 THR 8 -16.240 -11.779 5.268
34 HG21 THR 8 3HG2 THR 8 -13.591 -13.131 3.862
35 HG22 THR 8 1HG2 THR 8 -14.597 -13.205 2.416
36 HG23 THR 8 2HG2 THR 8 -14.255 -14.675 3.329
37 H GLY 9 H GLY 9 -18.387 -12.150 2.812
38 HA2 GLY 9 1HA GLY 9 -18.787 -12.641 0.155
39 HA3 GLY 9 2HA GLY 9 -18.677 -11.021 0.825
40 H GLU 10 H GLU 10 -17.823 -12.014 -1.793
41 HA GLU 10 HA GLU 10 -14.919 -11.922 -1.676
42 HB2 GLU 10 1HB GLU 10 -14.980 -12.385 -4.050
43 HB3 GLU 10 2HB GLU 10 -16.060 -13.491 -3.212
44 HG2 GLU 10 1HG GLU 10 -17.959 -12.488 -4.052
45 HG3 GLU 10 2HG GLU 10 -17.133 -10.966 -4.384
46 H LYS 11 H LYS 11 -16.260 -9.585 -0.786
47 HA LYS 11 HA LYS 11 -15.475 -7.671 -2.886
48 HB2 LYS 11 1HB LYS 11 -17.966 -7.829 -2.188
49 HB3 LYS 11 2HB LYS 11 -17.449 -7.016 -0.716
50 HG2 LYS 11 1HG LYS 11 -16.568 -5.164 -2.075
51 HG3 LYS 11 2HG LYS 11 -17.163 -5.973 -3.527
52 HD2 LYS 11 1HD LYS 11 -19.351 -5.509 -3.054
53 HD3 LYS 11 2HD LYS 11 -19.085 -5.503 -1.309
54 HE2 LYS 11 1HE LYS 11 -17.853 -3.373 -3.003
55 HE3 LYS 11 2HE LYS 11 -19.562 -3.270 -2.581
56 HZ1 LYS 11 3HZ LYS 11 -19.031 -3.232 -0.287
57 HZ2 LYS 11 1HZ LYS 11 -18.015 -2.103 -1.032
58 HZ3 LYS 11 2HZ LYS 11 -17.408 -3.612 -0.571
59 H ARG 12 H ARG 12 -13.698 -8.794 -0.965
60 HA ARG 12 HA ARG 12 -13.267 -6.626 0.955
61 HB2 ARG 12 1HB ARG 12 -11.997 -8.093 2.222
62 HB3 ARG 12 2HB ARG 12 -13.196 -9.169 1.517
63 HG2 ARG 12 1HG ARG 12 -10.433 -8.747 0.402
64 HG3 ARG 12 2HG ARG 12 -10.887 -10.066 1.484
65 HD2 ARG 12 1HD ARG 12 -12.724 -10.555 -0.266
66 HD3 ARG 12 2HD ARG 12 -11.746 -9.556 -1.341
67 HE ARG 12 HE ARG 12 -10.328 -11.695 -0.005
68 HH11 ARG 12 1HH1 ARG 12 -12.083 -10.681 -2.836
69 HH12 ARG 12 2HH1 ARG 12 -11.396 -11.899 -3.858
70 HH21 ARG 12 1HH2 ARG 12 -9.416 -13.303 -1.341
71 HH22 ARG 12 2HH2 ARG 12 -9.880 -13.391 -3.007
72 H TYR 13 H TYR 13 -11.698 -5.160 0.718
73 HA TYR 13 HA TYR 13 -10.202 -5.047 -1.706
74 HB2 TYR 13 1HB TYR 13 -9.692 -3.358 0.738
75 HB3 TYR 13 2HB TYR 13 -9.416 -2.943 -0.950
76 HD1 TYR 13 HD2 TYR 13 -11.933 -3.633 -2.233
77 HD2 TYR 13 HD1 TYR 13 -11.241 -1.845 1.565
78 HE1 TYR 13 HE2 TYR 13 -14.148 -2.570 -2.337
79 HE2 TYR 13 HE1 TYR 13 -13.455 -0.777 1.472
80 HH TYR 13 HH TYR 13 -15.117 -0.201 -1.001
81 H LYS 14 H LYS 14 -8.718 -6.641 -1.935
82 HA LYS 14 HA LYS 14 -6.903 -7.280 0.246
83 HB2 LYS 14 1HB LYS 14 -7.921 -9.039 -1.242
84 HB3 LYS 14 2HB LYS 14 -6.934 -8.411 -2.555
85 HG2 LYS 14 1HG LYS 14 -4.964 -8.816 -0.902
86 HG3 LYS 14 2HG LYS 14 -6.107 -9.904 -0.110
87 HD2 LYS 14 1HD LYS 14 -6.428 -11.083 -2.251
88 HD3 LYS 14 2HD LYS 14 -5.234 -10.019 -2.998
89 HE2 LYS 14 1HE LYS 14 -3.883 -11.777 -2.472
90 HE3 LYS 14 2HE LYS 14 -3.757 -10.864 -0.970
91 HZ1 LYS 14 3HZ LYS 14 -5.744 -13.025 -1.376
92 HZ2 LYS 14 1HZ LYS 14 -5.297 -12.287 0.080
93 HZ3 LYS 14 2HZ LYS 14 -4.207 -13.301 -0.724
94 H CYS 15 H CYS 15 -4.915 -6.483 0.460
95 HA CYS 15 HA CYS 15 -3.960 -4.446 -1.276
96 HB2 CYS 15 1HB CYS 15 -3.497 -4.577 1.184
97 HB3 CYS 15 2HB CYS 15 -2.412 -5.925 0.858
98 H ASN 16 H ASN 16 -3.660 -5.251 -3.334
99 HA ASN 16 HA ASN 16 -2.479 -7.623 -4.095
100 HB2 ASN 16 1HB ASN 16 -1.702 -6.152 -6.149
101 HB3 ASN 16 2HB ASN 16 -3.408 -6.504 -5.883
102 HD21 ASN 16 1HD2 ASN 16 -4.425 -4.757 -6.599
103 HD22 ASN 16 2HD2 ASN 16 -4.114 -3.137 -6.086
104 H GLU 17 H GLU 17 -1.019 -4.906 -2.624
105 HA GLU 17 HA GLU 17 1.627 -5.240 -3.605
106 HB2 GLU 17 1HB GLU 17 0.872 -4.030 -0.949
107 HB3 GLU 17 2HB GLU 17 2.287 -3.679 -1.932
108 HG2 GLU 17 1HG GLU 17 -0.560 -3.018 -2.650
109 HG3 GLU 17 2HG GLU 17 0.642 -1.885 -2.037
110 H CYS 18 H CYS 18 0.272 -5.968 -0.383
111 HA CYS 18 HA CYS 18 2.392 -7.969 -0.027
112 HB2 CYS 18 1HB CYS 18 1.818 -7.841 2.385
113 HB3 CYS 18 2HB CYS 18 2.325 -6.291 1.722
114 H GLY 19 H GLY 19 -1.108 -7.500 0.271
115 HA2 GLY 19 1HA GLY 19 -2.448 -9.386 -0.651
116 HA3 GLY 19 2HA GLY 19 -1.397 -10.442 0.282
117 H LYS 20 H LYS 20 -2.096 -7.558 1.898
118 HA LYS 20 HA LYS 20 -3.571 -8.921 3.925
119 HB2 LYS 20 1HB LYS 20 -2.586 -6.145 3.487
120 HB3 LYS 20 2HB LYS 20 -3.891 -6.372 4.644
121 HG2 LYS 20 1HG LYS 20 -1.514 -8.136 4.862
122 HG3 LYS 20 2HG LYS 20 -1.356 -6.452 5.366
123 HD2 LYS 20 1HD LYS 20 -3.672 -8.084 6.324
124 HD3 LYS 20 2HD LYS 20 -2.092 -8.266 7.090
125 HE2 LYS 20 1HE LYS 20 -2.061 -5.805 7.459
126 HE3 LYS 20 2HE LYS 20 -3.707 -5.732 6.832
127 HZ1 LYS 20 3HZ LYS 20 -4.481 -6.302 8.812
128 HZ2 LYS 20 1HZ LYS 20 -2.909 -6.254 9.437
129 HZ3 LYS 20 2HZ LYS 20 -3.537 -7.706 8.840
130 H VAL 21 H VAL 21 -5.558 -7.411 4.796
131 HA VAL 21 HA VAL 21 -7.351 -6.728 2.610
132 HB VAL 21 HB VAL 21 -9.152 -8.169 3.871
133 HG11 VAL 21 1HG1 VAL 21 -9.026 -9.718 2.160
134 HG12 VAL 21 2HG1 VAL 21 -8.125 -8.356 1.490
135 HG13 VAL 21 3HG1 VAL 21 -7.262 -9.737 2.168
136 HG21 VAL 21 3HG2 VAL 21 -8.043 -10.376 4.534
137 HG22 VAL 21 1HG2 VAL 21 -6.549 -9.446 4.649
138 HG23 VAL 21 2HG2 VAL 21 -7.926 -9.035 5.672
139 H PHE 22 H PHE 22 -9.158 -5.489 3.256
140 HA PHE 22 HA PHE 22 -9.358 -4.735 6.065
141 HB2 PHE 22 1HB PHE 22 -9.038 -2.620 3.932
142 HB3 PHE 22 2HB PHE 22 -9.108 -2.384 5.676
143 HD1 PHE 22 HD2 PHE 22 -7.074 -4.095 3.068
144 HD2 PHE 22 HD1 PHE 22 -7.146 -2.174 6.865
145 HE1 PHE 22 HE2 PHE 22 -4.620 -4.231 3.179
146 HE2 PHE 22 HE1 PHE 22 -4.692 -2.305 6.982
147 HZ PHE 22 HZ PHE 22 -3.425 -3.336 5.138
148 H SER 23 H SER 23 -11.367 -3.968 6.662
149 HA SER 23 HA SER 23 -13.571 -4.794 5.144
150 HB2 SER 23 1HB SER 23 -13.328 -2.956 7.525
151 HB3 SER 23 2HB SER 23 -14.887 -3.364 6.809
152 HG SER 23 HG SER 23 -14.787 -5.251 7.722
153 H ARG 24 H ARG 24 -12.216 -1.555 5.668
154 HA ARG 24 HA ARG 24 -13.888 -0.582 3.446
155 HB2 ARG 24 1HB ARG 24 -12.625 1.078 5.631
156 HB3 ARG 24 2HB ARG 24 -13.772 1.623 4.415
157 HG2 ARG 24 1HG ARG 24 -14.481 -0.516 6.390
158 HG3 ARG 24 2HG ARG 24 -14.640 1.199 6.776
159 HD2 ARG 24 1HD ARG 24 -16.000 1.387 4.632
160 HD3 ARG 24 2HD ARG 24 -16.051 -0.375 4.639
161 HE ARG 24 HE ARG 24 -16.889 0.678 7.137
162 HH11 ARG 24 1HH1 ARG 24 -17.935 0.190 3.853
163 HH12 ARG 24 2HH1 ARG 24 -19.618 0.121 4.261
164 HH21 ARG 24 1HH2 ARG 24 -19.101 0.589 7.688
165 HH22 ARG 24 2HH2 ARG 24 -20.279 0.349 6.443
166 H ASN 25 H ASN 25 -12.912 1.110 2.093
167 HA ASN 25 HA ASN 25 -10.282 0.338 1.263
168 HB2 ASN 25 1HB ASN 25 -12.037 1.004 -0.348
169 HB3 ASN 25 2HB ASN 25 -12.002 2.638 0.309
170 HD21 ASN 25 1HD2 ASN 25 -11.294 3.713 -1.447
171 HD22 ASN 25 2HD2 ASN 25 -9.754 3.459 -2.189
172 H SER 26 H SER 26 -11.696 3.172 2.835
173 HA SER 26 HA SER 26 -9.540 4.895 2.801
174 HB2 SER 26 1HB SER 26 -11.630 5.688 3.638
175 HB3 SER 26 2HB SER 26 -11.663 4.463 4.906
176 HG SER 26 HG SER 26 -9.526 6.274 4.814
177 H GLN 27 H GLN 27 -9.889 1.928 4.487
178 HA GLN 27 HA GLN 27 -7.728 2.526 6.349
179 HB2 GLN 27 1HB GLN 27 -9.572 0.169 6.009
180 HB3 GLN 27 2HB GLN 27 -8.187 0.122 7.091
181 HG2 GLN 27 1HG GLN 27 -9.285 2.358 7.988
182 HG3 GLN 27 2HG GLN 27 -10.738 1.606 7.333
183 HE21 GLN 27 1HE2 GLN 27 -11.604 1.393 9.410
184 HE22 GLN 27 2HE2 GLN 27 -11.042 0.185 10.509
185 H LEU 28 H LEU 28 -8.356 0.708 3.435
186 HA LEU 28 HA LEU 28 -5.914 -0.789 3.516
187 HB2 LEU 28 1HB LEU 28 -7.430 -1.901 2.239
188 HB3 LEU 28 2HB LEU 28 -8.154 -0.419 1.617
189 HG LEU 28 HG LEU 28 -6.050 -0.180 0.197
190 HD11 LEU 28 1HD1 LEU 28 -5.007 -2.437 -0.309
191 HD12 LEU 28 2HD1 LEU 28 -5.718 -2.989 1.207
192 HD13 LEU 28 3HD1 LEU 28 -4.544 -1.673 1.212
193 HD21 LEU 28 3HD2 LEU 28 -8.459 -1.307 -0.300
194 HD22 LEU 28 1HD2 LEU 28 -7.379 -2.641 -0.709
195 HD23 LEU 28 2HD2 LEU 28 -7.198 -1.082 -1.514
196 H SER 29 H SER 29 -7.049 2.057 1.722
197 HA SER 29 HA SER 29 -4.784 2.494 0.167
198 HB2 SER 29 1HB SER 29 -7.011 4.204 1.163
199 HB3 SER 29 2HB SER 29 -5.595 5.017 0.498
200 HG SER 29 HG SER 29 -7.038 4.627 -1.163
201 H GLN 30 H GLN 30 -5.530 3.611 3.444
202 HA GLN 30 HA GLN 30 -3.164 5.152 3.749
203 HB2 GLN 30 1HB GLN 30 -5.015 3.956 5.817
204 HB3 GLN 30 2HB GLN 30 -3.736 5.109 6.171
205 HG2 GLN 30 1HG GLN 30 -6.119 5.612 4.402
206 HG3 GLN 30 2HG GLN 30 -5.916 6.186 6.056
207 HE21 GLN 30 1HE2 GLN 30 -4.938 8.073 6.378
208 HE22 GLN 30 2HE2 GLN 30 -4.115 8.991 5.168
209 H HIS 31 H HIS 31 -3.648 1.847 3.598
210 HA HIS 31 HA HIS 31 -1.419 1.189 5.367
211 HB2 HIS 31 1HB HIS 31 -3.099 -0.378 5.697
212 HB3 HIS 31 2HB HIS 31 -3.556 -0.398 3.996
213 HD1 HIS 31 HD1 HIS 31 -1.011 -1.803 6.377
214 HD2 HIS 31 HD2 HIS 31 -2.225 -2.258 2.430
215 HE1 HIS 31 HE1 HIS 31 0.165 -3.864 5.545
216 H GLN 32 H GLN 32 -2.374 0.804 1.966
217 HA GLN 32 HA GLN 32 -0.114 -0.464 1.005
218 HB2 GLN 32 1HB GLN 32 -2.062 1.447 -0.239
219 HB3 GLN 32 2HB GLN 32 -0.673 0.883 -1.157
220 HG2 GLN 32 1HG GLN 32 -1.396 -1.435 -0.797
221 HG3 GLN 32 2HG GLN 32 -2.810 -0.842 0.073
222 HE21 GLN 32 1HE2 GLN 32 -4.540 -0.100 -1.046
223 HE22 GLN 32 2HE2 GLN 32 -4.659 -0.124 -2.769
224 H LYS 33 H LYS 33 -0.552 2.853 1.947
225 HA LYS 33 HA LYS 33 1.584 4.056 0.612
226 HB2 LYS 33 1HB LYS 33 1.567 5.634 2.642
227 HB3 LYS 33 2HB LYS 33 0.101 5.522 1.677
228 HG2 LYS 33 1HG LYS 33 -1.053 4.387 3.312
229 HG3 LYS 33 2HG LYS 33 0.418 3.770 4.069
230 HD2 LYS 33 1HD LYS 33 -0.504 5.434 5.515
231 HD3 LYS 33 2HD LYS 33 0.942 6.116 4.767
232 HE2 LYS 33 1HE LYS 33 -0.840 6.951 2.987
233 HE3 LYS 33 2HE LYS 33 -1.919 6.811 4.374
234 HZ1 LYS 33 3HZ LYS 33 0.614 8.358 4.371
235 HZ2 LYS 33 1HZ LYS 33 -0.534 8.302 5.612
236 HZ3 LYS 33 2HZ LYS 33 -0.919 9.033 4.136
237 H ILE 34 H ILE 34 1.554 1.841 3.247
238 HA ILE 34 HA ILE 34 4.068 2.493 4.388
239 HB ILE 34 HB ILE 34 3.883 0.553 5.665
240 HG12 ILE 34 1HG1 ILE 34 2.070 -0.596 3.530
241 HG13 ILE 34 2HG1 ILE 34 3.756 -1.032 3.784
242 HG21 ILE 34 1HG2 ILE 34 1.092 0.383 5.603
243 HG22 ILE 34 2HG2 ILE 34 2.082 1.392 6.657
244 HG23 ILE 34 3HG2 ILE 34 1.480 2.037 5.130
245 HD11 ILE 34 3HD1 ILE 34 3.283 -2.365 5.528
246 HD12 ILE 34 1HD1 ILE 34 1.999 -1.314 6.125
247 HD13 ILE 34 2HD1 ILE 34 1.686 -2.412 4.781
248 H HIS 35 H HIS 35 3.144 0.818 1.534
249 HA HIS 35 HA HIS 35 5.594 -0.679 1.269
250 HB2 HIS 35 1HB HIS 35 3.421 -0.125 -0.763
251 HB3 HIS 35 2HB HIS 35 4.723 -1.297 -0.944
252 HD1 HIS 35 HD1 HIS 35 4.686 -2.958 1.456
253 HD2 HIS 35 HD2 HIS 35 1.163 -1.459 -0.158
254 HE1 HIS 35 HE1 HIS 35 2.861 -4.459 2.315
255 H THR 36 H THR 36 4.406 2.442 0.350
256 HA THR 36 HA THR 36 6.491 2.895 -1.611
257 HB THR 36 HB THR 36 4.209 3.890 -1.856
258 HG1 THR 36 HG1 THR 36 5.720 4.926 -3.049
259 HG21 THR 36 3HG2 THR 36 4.166 6.175 -0.458
260 HG22 THR 36 1HG2 THR 36 5.017 5.153 0.699
261 HG23 THR 36 2HG2 THR 36 3.417 4.687 0.121
262 H GLY 37 H GLY 37 6.925 2.451 1.413
263 HA2 GLY 37 1HA GLY 37 8.516 4.893 1.892
264 HA3 GLY 37 2HA GLY 37 7.844 3.888 3.167
265 H GLU 38 H GLU 38 10.389 4.402 3.491
266 HA GLU 38 HA GLU 38 12.348 2.986 2.188
267 HB2 GLU 38 1HB GLU 38 12.440 4.604 4.255
268 HB3 GLU 38 2HB GLU 38 12.400 3.108 5.177
269 HG2 GLU 38 1HG GLU 38 14.665 3.619 4.957
270 HG3 GLU 38 2HG GLU 38 14.369 2.360 3.760
271 H LYS 39 H LYS 39 13.426 0.985 2.657
272 HA LYS 39 HA LYS 39 11.791 -1.019 4.045
273 HB2 LYS 39 1HB LYS 39 12.132 -2.626 2.247
274 HB3 LYS 39 2HB LYS 39 11.311 -1.195 1.639
275 HG2 LYS 39 1HG LYS 39 13.239 -0.429 0.532
276 HG3 LYS 39 2HG LYS 39 14.281 -1.558 1.401
277 HD2 LYS 39 1HD LYS 39 13.661 -3.342 0.101
278 HD3 LYS 39 2HD LYS 39 12.074 -2.662 -0.265
279 HE2 LYS 39 1HE LYS 39 13.563 -0.844 -1.498
280 HE3 LYS 39 2HE LYS 39 14.701 -2.188 -1.570
281 HZ1 LYS 39 3HZ LYS 39 12.390 -1.736 -3.134
282 HZ2 LYS 39 1HZ LYS 39 12.241 -3.209 -2.315
283 HZ3 LYS 39 2HZ LYS 39 13.578 -2.927 -3.312
284 HA PRO 40 HA PRO 40 15.576 -2.315 5.858
285 HB2 PRO 40 1HB PRO 40 15.050 -4.942 6.296
286 HB3 PRO 40 2HB PRO 40 14.311 -3.644 7.240
287 HG2 PRO 40 1HG PRO 40 13.182 -5.190 4.939
288 HG3 PRO 40 2HG PRO 40 12.400 -4.714 6.457
289 HD2 PRO 40 1HD PRO 40 12.011 -3.376 4.136
290 HD3 PRO 40 2HD PRO 40 11.986 -2.570 5.717
291 H SER 41 H SER 41 17.124 -4.354 5.727
292 HA SER 41 HA SER 41 18.751 -5.359 4.490
293 HB2 SER 41 1HB SER 41 18.020 -6.899 2.826
294 HB3 SER 41 2HB SER 41 16.717 -6.812 4.011
295 HG SER 41 HG SER 41 16.561 -6.366 1.424
296 H GLY 42 H GLY 42 18.538 -2.590 4.104
297 HA2 GLY 42 1HA GLY 42 18.972 -0.885 2.591
298 HA3 GLY 42 2HA GLY 42 20.242 -1.999 2.108
299 HA PRO 43 HA PRO 43 17.691 -1.171 -1.638
300 HB2 PRO 43 1HB PRO 43 19.816 -1.040 -3.323
301 HB3 PRO 43 2HB PRO 43 19.241 0.348 -2.393
302 HG2 PRO 43 1HG PRO 43 21.525 -1.500 -1.820
303 HG3 PRO 43 2HG PRO 43 21.451 0.265 -1.673
304 HD2 PRO 43 1HD PRO 43 21.206 -1.386 0.459
305 HD3 PRO 43 2HD PRO 43 20.368 0.176 0.360
306 H SER 44 H SER 44 20.610 -3.215 -1.472
307 HA SER 44 HA SER 44 20.175 -4.953 -3.517
308 HB2 SER 44 1HB SER 44 22.119 -4.982 -1.922
309 HB3 SER 44 2HB SER 44 21.090 -5.837 -0.772
310 HG SER 44 HG SER 44 22.439 -7.195 -2.139
311 H SER 45 H SER 45 18.838 -6.603 -4.001
312 HA SER 45 HA SER 45 16.416 -6.883 -2.518
313 HB2 SER 45 1HB SER 45 17.506 -8.422 -4.884
314 HB3 SER 45 2HB SER 45 15.888 -8.645 -4.220
315 HG SER 45 HG SER 45 16.615 -6.037 -4.809
316 H GLY 46 H GLY 46 18.947 -9.258 -3.366
317 HA2 GLY 46 1HA GLY 46 19.872 -10.509 -1.401
318 HA3 GLY 46 2HA GLY 46 18.197 -10.741 -0.921