NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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|
504741 |
2emy   |
10227 | 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 -2.298 3.597 -23.606
2 HA2 GLY 1 1HA GLY 1 -1.499 1.931 -25.813
3 HA3 GLY 1 2HA GLY 1 -0.447 2.603 -24.577
4 H SER 2 H SER 2 0.501 0.380 -24.885
5 HA SER 2 HA SER 2 -0.777 -1.462 -22.977
6 HB2 SER 2 1HB SER 2 0.046 -3.362 -24.352
7 HB3 SER 2 2HB SER 2 -1.135 -2.371 -25.207
8 HG SER 2 HG SER 2 1.009 -1.254 -25.900
9 H SER 3 H SER 3 1.139 0.414 -22.267
10 HA SER 3 HA SER 3 3.513 -1.272 -21.808
11 HB2 SER 3 1HB SER 3 3.370 1.742 -22.060
12 HB3 SER 3 2HB SER 3 4.819 0.833 -21.629
13 HG SER 3 HG SER 3 5.126 0.574 -23.679
14 H GLY 4 H GLY 4 2.634 -2.133 -19.890
15 HA2 GLY 4 1HA GLY 4 1.762 -0.401 -17.762
16 HA3 GLY 4 2HA GLY 4 1.979 -2.143 -17.670
17 H SER 5 H SER 5 3.531 0.971 -17.350
18 HA SER 5 HA SER 5 6.027 -0.237 -16.466
19 HB2 SER 5 1HB SER 5 5.179 2.644 -16.821
20 HB3 SER 5 2HB SER 5 6.766 2.157 -16.227
21 HG SER 5 HG SER 5 5.647 1.858 -18.783
22 H SER 6 H SER 6 5.593 -1.208 -14.520
23 HA SER 6 HA SER 6 4.100 0.035 -12.440
24 HB2 SER 6 1HB SER 6 4.935 -1.823 -11.035
25 HB3 SER 6 2HB SER 6 4.296 -2.399 -12.574
26 HG SER 6 HG SER 6 6.492 -2.444 -13.327
27 H GLY 7 H GLY 7 5.041 0.446 -10.243
28 HA2 GLY 7 1HA GLY 7 7.720 1.672 -10.464
29 HA3 GLY 7 2HA GLY 7 6.384 2.505 -9.684
30 H THR 8 H THR 8 7.468 -0.874 -9.476
31 HA THR 8 HA THR 8 7.840 -0.469 -6.579
32 HB THR 8 HB THR 8 5.861 -1.832 -6.960
33 HG1 THR 8 HG1 THR 8 7.664 -2.398 -5.337
34 HG21 THR 8 3HG2 THR 8 5.721 -3.596 -8.387
35 HG22 THR 8 1HG2 THR 8 7.398 -4.076 -8.133
36 HG23 THR 8 2HG2 THR 8 7.019 -2.727 -9.205
37 H GLY 9 H GLY 9 9.961 -0.485 -6.181
38 HA2 GLY 9 1HA GLY 9 11.547 -2.695 -7.315
39 HA3 GLY 9 2HA GLY 9 12.155 -1.048 -7.391
40 H GLU 10 H GLU 10 12.170 0.091 -5.182
41 HA GLU 10 HA GLU 10 13.195 -1.816 -3.183
42 HB2 GLU 10 1HB GLU 10 14.036 1.055 -3.620
43 HB3 GLU 10 2HB GLU 10 14.695 -0.041 -2.414
44 HG2 GLU 10 1HG GLU 10 14.812 -0.686 -5.335
45 HG3 GLU 10 2HG GLU 10 16.022 0.338 -4.565
46 H ASN 11 H ASN 11 11.003 -1.977 -2.366
47 HA ASN 11 HA ASN 11 10.287 0.326 -0.674
48 HB2 ASN 11 1HB ASN 11 8.483 -1.543 -2.210
49 HB3 ASN 11 2HB ASN 11 7.897 -0.533 -0.891
50 HD21 ASN 11 1HD2 ASN 11 7.905 -0.701 -4.067
51 HD22 ASN 11 2HD2 ASN 11 7.970 0.971 -4.495
52 HA PRO 12 HA PRO 12 11.157 -3.210 2.122
53 HB2 PRO 12 1HB PRO 12 12.152 -1.657 4.114
54 HB3 PRO 12 2HB PRO 12 13.131 -2.216 2.752
55 HG2 PRO 12 1HG PRO 12 11.811 0.438 3.173
56 HG3 PRO 12 2HG PRO 12 13.434 0.081 2.553
57 HD2 PRO 12 1HD PRO 12 11.358 0.706 0.930
58 HD3 PRO 12 2HD PRO 12 12.656 -0.402 0.438
59 H TYR 13 H TYR 13 9.041 -0.606 2.084
60 HA TYR 13 HA TYR 13 7.739 -1.517 4.567
61 HB2 TYR 13 1HB TYR 13 7.504 1.220 3.304
62 HB3 TYR 13 2HB TYR 13 6.830 0.709 4.848
63 HD1 TYR 13 HD1 TYR 13 8.265 0.432 6.802
64 HD2 TYR 13 HD2 TYR 13 9.857 1.744 3.081
65 HE1 TYR 13 HE1 TYR 13 10.315 1.167 7.945
66 HE2 TYR 13 HE2 TYR 13 11.911 2.482 4.213
67 HH TYR 13 HH TYR 13 12.167 2.596 7.665
68 H GLU 14 H GLU 14 6.250 -2.944 3.868
69 HA GLU 14 HA GLU 14 4.438 -2.080 1.711
70 HB2 GLU 14 1HB GLU 14 5.571 -4.732 2.445
71 HB3 GLU 14 2HB GLU 14 3.932 -4.698 1.811
72 HG2 GLU 14 1HG GLU 14 4.594 -4.047 -0.266
73 HG3 GLU 14 2HG GLU 14 6.021 -3.202 0.331
74 H CYS 15 H CYS 15 2.233 -2.234 2.001
75 HA CYS 15 HA CYS 15 1.290 -2.015 4.677
76 HB2 CYS 15 1HB CYS 15 0.289 -0.804 2.749
77 HB3 CYS 15 2HB CYS 15 -0.315 -2.339 2.134
78 H HIS 16 H HIS 16 0.458 -3.505 6.003
79 HA HIS 16 HA HIS 16 0.388 -6.269 5.094
80 HB2 HIS 16 1HB HIS 16 0.104 -6.800 7.501
81 HB3 HIS 16 2HB HIS 16 1.538 -5.828 7.185
82 HD1 HIS 16 HD1 HIS 16 1.842 -4.077 8.886
83 HD2 HIS 16 HD2 HIS 16 -2.180 -4.870 8.209
84 HE1 HIS 16 HE1 HIS 16 0.584 -2.548 10.437
85 H GLU 17 H GLU 17 -1.674 -4.255 4.322
86 HA GLU 17 HA GLU 17 -4.028 -5.684 5.371
87 HB2 GLU 17 1HB GLU 17 -3.898 -2.795 4.490
88 HB3 GLU 17 2HB GLU 17 -5.324 -3.630 5.091
89 HG2 GLU 17 1HG GLU 17 -3.921 -4.044 7.208
90 HG3 GLU 17 2HG GLU 17 -2.883 -2.764 6.583
91 H CYS 18 H CYS 18 -2.917 -3.708 2.619
92 HA CYS 18 HA CYS 18 -4.662 -5.298 0.866
93 HB2 CYS 18 1HB CYS 18 -4.452 -3.450 -0.743
94 HB3 CYS 18 2HB CYS 18 -5.081 -2.889 0.802
95 H GLY 19 H GLY 19 -1.389 -3.937 1.096
96 HA2 GLY 19 1HA GLY 19 0.390 -5.627 0.564
97 HA3 GLY 19 2HA GLY 19 -0.528 -5.938 -0.902
98 H LYS 20 H LYS 20 -0.306 -2.692 0.267
99 HA LYS 20 HA LYS 20 0.926 -1.811 -2.151
100 HB2 LYS 20 1HB LYS 20 -0.748 -0.526 -0.724
101 HB3 LYS 20 2HB LYS 20 0.589 -0.187 0.367
102 HG2 LYS 20 1HG LYS 20 1.680 1.154 -1.183
103 HG3 LYS 20 2HG LYS 20 0.784 0.476 -2.544
104 HD2 LYS 20 1HD LYS 20 -0.748 1.888 -0.423
105 HD3 LYS 20 2HD LYS 20 0.210 2.860 -1.542
106 HE2 LYS 20 1HE LYS 20 -0.947 1.447 -3.376
107 HE3 LYS 20 2HE LYS 20 -2.110 1.053 -2.111
108 HZ1 LYS 20 3HZ LYS 20 -1.493 3.703 -3.269
109 HZ2 LYS 20 1HZ LYS 20 -2.291 3.546 -1.785
110 HZ3 LYS 20 2HZ LYS 20 -2.986 2.911 -3.190
111 H ALA 21 H ALA 21 2.828 -0.214 -1.994
112 HA ALA 21 HA ALA 21 4.840 -1.104 -0.058
113 HB1 ALA 21 3HB ALA 21 5.775 -2.389 -1.635
114 HB2 ALA 21 1HB ALA 21 4.873 -1.612 -2.937
115 HB3 ALA 21 2HB ALA 21 6.350 -0.869 -2.321
116 H PHE 22 H PHE 22 6.349 0.433 0.498
117 HA PHE 22 HA PHE 22 6.278 3.007 -0.896
118 HB2 PHE 22 1HB PHE 22 6.127 2.827 2.114
119 HB3 PHE 22 2HB PHE 22 5.977 4.268 1.113
120 HD1 PHE 22 HD2 PHE 22 4.339 0.985 1.738
121 HD2 PHE 22 HD1 PHE 22 3.880 5.045 0.545
122 HE1 PHE 22 HE2 PHE 22 1.896 0.692 1.693
123 HE2 PHE 22 HE1 PHE 22 1.437 4.759 0.499
124 HZ PHE 22 HZ PHE 22 0.442 2.580 1.073
125 H SER 23 H SER 23 8.103 4.402 -0.363
126 HA SER 23 HA SER 23 10.536 2.906 -0.228
127 HB2 SER 23 1HB SER 23 9.955 5.175 -1.468
128 HB3 SER 23 2HB SER 23 10.521 5.882 0.045
129 HG SER 23 HG SER 23 12.485 5.422 -0.519
130 H ARG 24 H ARG 24 9.067 5.385 1.866
131 HA ARG 24 HA ARG 24 10.905 4.579 4.011
132 HB2 ARG 24 1HB ARG 24 9.114 6.978 4.162
133 HB3 ARG 24 2HB ARG 24 10.659 6.695 4.953
134 HG2 ARG 24 1HG ARG 24 11.513 6.684 2.444
135 HG3 ARG 24 2HG ARG 24 10.074 7.681 2.223
136 HD2 ARG 24 1HD ARG 24 11.927 9.129 2.667
137 HD3 ARG 24 2HD ARG 24 10.874 9.131 4.081
138 HE ARG 24 HE ARG 24 12.706 7.215 4.654
139 HH11 ARG 24 1HH1 ARG 24 12.924 10.549 3.675
140 HH12 ARG 24 2HH1 ARG 24 14.414 10.833 4.513
141 HH21 ARG 24 1HH2 ARG 24 14.667 7.577 5.761
142 HH22 ARG 24 2HH2 ARG 24 15.405 9.142 5.698
143 H LYS 25 H LYS 25 9.889 4.806 6.267
144 HA LYS 25 HA LYS 25 7.782 2.920 6.468
145 HB2 LYS 25 1HB LYS 25 9.477 3.097 8.201
146 HB3 LYS 25 2HB LYS 25 8.994 4.753 8.545
147 HG2 LYS 25 1HG LYS 25 8.033 3.479 10.249
148 HG3 LYS 25 2HG LYS 25 6.709 3.798 9.126
149 HD2 LYS 25 1HD LYS 25 6.745 1.610 8.286
150 HD3 LYS 25 2HD LYS 25 8.353 1.292 8.941
151 HE2 LYS 25 1HE LYS 25 7.497 1.250 11.180
152 HE3 LYS 25 2HE LYS 25 5.909 1.788 10.634
153 HZ1 LYS 25 3HZ LYS 25 5.804 -0.310 9.311
154 HZ2 LYS 25 1HZ LYS 25 5.787 -0.534 10.988
155 HZ3 LYS 25 2HZ LYS 25 7.203 -0.827 10.111
156 H TYR 26 H TYR 26 7.927 6.415 7.118
157 HA TYR 26 HA TYR 26 5.278 6.765 7.911
158 HB2 TYR 26 1HB TYR 26 5.710 9.014 7.843
159 HB3 TYR 26 2HB TYR 26 7.363 8.411 7.800
160 HD1 TYR 26 HD1 TYR 26 8.616 8.390 5.662
161 HD2 TYR 26 HD2 TYR 26 4.763 10.167 5.978
162 HE1 TYR 26 HE1 TYR 26 9.005 9.595 3.553
163 HE2 TYR 26 HE2 TYR 26 5.141 11.376 3.870
164 HH TYR 26 HH TYR 26 8.200 11.056 2.092
165 H GLN 27 H GLN 27 6.722 6.834 4.682
166 HA GLN 27 HA GLN 27 4.598 7.729 3.179
167 HB2 GLN 27 1HB GLN 27 6.645 5.608 2.524
168 HB3 GLN 27 2HB GLN 27 5.530 6.279 1.341
169 HG2 GLN 27 1HG GLN 27 6.488 8.556 2.020
170 HG3 GLN 27 2HG GLN 27 7.789 7.629 2.765
171 HE21 GLN 27 1HE2 GLN 27 9.025 8.922 1.163
172 HE22 GLN 27 2HE2 GLN 27 9.226 8.259 -0.420
173 H LEU 28 H LEU 28 4.978 4.681 4.794
174 HA LEU 28 HA LEU 28 2.761 3.450 3.382
175 HB2 LEU 28 1HB LEU 28 4.415 1.903 3.890
176 HB3 LEU 28 2HB LEU 28 4.678 2.568 5.501
177 HG LEU 28 HG LEU 28 2.650 1.552 6.307
178 HD11 LEU 28 1HD1 LEU 28 1.578 1.821 3.929
179 HD12 LEU 28 2HD1 LEU 28 1.040 0.549 5.024
180 HD13 LEU 28 3HD1 LEU 28 2.160 0.170 3.715
181 HD21 LEU 28 3HD2 LEU 28 3.867 -0.266 6.670
182 HD22 LEU 28 1HD2 LEU 28 4.870 0.098 5.265
183 HD23 LEU 28 2HD2 LEU 28 3.412 -0.877 5.078
184 H ILE 29 H ILE 29 3.494 4.552 6.679
185 HA ILE 29 HA ILE 29 1.149 3.886 7.955
186 HB ILE 29 HB ILE 29 3.006 6.216 8.318
187 HG12 ILE 29 1HG1 ILE 29 3.289 4.981 10.554
188 HG13 ILE 29 2HG1 ILE 29 2.396 3.665 9.801
189 HG21 ILE 29 1HG2 ILE 29 1.599 6.324 10.591
190 HG22 ILE 29 2HG2 ILE 29 1.227 7.317 9.183
191 HG23 ILE 29 3HG2 ILE 29 0.316 5.838 9.483
192 HD11 ILE 29 3HD1 ILE 29 4.086 3.420 8.115
193 HD12 ILE 29 1HD1 ILE 29 4.947 4.835 8.721
194 HD13 ILE 29 2HD1 ILE 29 4.840 3.377 9.708
195 H SER 30 H SER 30 1.830 6.846 6.106
196 HA SER 30 HA SER 30 -0.566 8.174 6.503
197 HB2 SER 30 1HB SER 30 1.429 9.123 5.348
198 HB3 SER 30 2HB SER 30 1.039 8.140 3.936
199 HG SER 30 HG SER 30 -0.974 9.764 4.978
200 H HIS 31 H HIS 31 0.173 5.491 4.388
201 HA HIS 31 HA HIS 31 -2.261 5.645 2.886
202 HB2 HIS 31 1HB HIS 31 -0.437 4.587 1.798
203 HB3 HIS 31 2HB HIS 31 -0.132 3.529 3.173
204 HD1 HIS 31 HD1 HIS 31 -2.622 4.041 0.377
205 HD2 HIS 31 HD2 HIS 31 -1.476 1.138 3.120
206 HE1 HIS 31 HE1 HIS 31 -3.860 1.957 -0.293
207 H GLN 32 H GLN 32 -1.084 3.535 5.498
208 HA GLN 32 HA GLN 32 -3.230 1.850 5.779
209 HB2 GLN 32 1HB GLN 32 -1.635 3.070 8.039
210 HB3 GLN 32 2HB GLN 32 -2.576 1.586 8.119
211 HG2 GLN 32 1HG GLN 32 -1.054 0.768 6.217
212 HG3 GLN 32 2HG GLN 32 -0.006 2.108 6.681
213 HE21 GLN 32 1HE2 GLN 32 -0.426 -1.073 7.055
214 HE22 GLN 32 2HE2 GLN 32 0.273 -1.303 8.618
215 H ARG 33 H ARG 33 -3.032 5.219 6.566
216 HA ARG 33 HA ARG 33 -5.056 5.512 8.432
217 HB2 ARG 33 1HB ARG 33 -4.500 7.402 6.141
218 HB3 ARG 33 2HB ARG 33 -5.252 7.802 7.679
219 HG2 ARG 33 1HG ARG 33 -2.422 6.826 7.366
220 HG3 ARG 33 2HG ARG 33 -2.895 8.520 7.511
221 HD2 ARG 33 1HD ARG 33 -3.803 6.566 9.574
222 HD3 ARG 33 2HD ARG 33 -2.141 7.153 9.617
223 HE ARG 33 HE ARG 33 -3.819 9.365 9.380
224 HH11 ARG 33 1HH1 ARG 33 -3.107 6.844 11.672
225 HH12 ARG 33 2HH1 ARG 33 -3.512 7.807 13.054
226 HH21 ARG 33 1HH2 ARG 33 -4.355 10.643 11.192
227 HH22 ARG 33 2HH2 ARG 33 -4.222 9.967 12.780
228 H THR 34 H THR 34 -5.262 4.961 4.985
229 HA THR 34 HA THR 34 -7.995 5.621 4.659
230 HB THR 34 HB THR 34 -7.879 4.597 2.523
231 HG1 THR 34 HG1 THR 34 -7.024 2.638 2.655
232 HG21 THR 34 3HG2 THR 34 -5.316 5.218 1.928
233 HG22 THR 34 1HG2 THR 34 -5.500 6.068 3.461
234 HG23 THR 34 2HG2 THR 34 -6.595 6.417 2.123
235 H HIS 35 H HIS 35 -6.327 2.704 5.655
236 HA HIS 35 HA HIS 35 -8.642 1.018 5.476
237 HB2 HIS 35 1HB HIS 35 -5.923 0.674 6.734
238 HB3 HIS 35 2HB HIS 35 -7.178 -0.555 6.858
239 HD1 HIS 35 HD1 HIS 35 -8.122 -1.352 4.380
240 HD2 HIS 35 HD2 HIS 35 -4.349 0.379 4.556
241 HE1 HIS 35 HE1 HIS 35 -6.970 -2.033 2.251
242 H ALA 36 H ALA 36 -7.227 3.086 7.884
243 HA ALA 36 HA ALA 36 -8.321 2.048 10.219
244 HB1 ALA 36 3HB ALA 36 -7.205 3.774 11.050
245 HB2 ALA 36 1HB ALA 36 -7.006 4.438 9.428
246 HB3 ALA 36 2HB ALA 36 -8.416 4.876 10.393
247 H GLY 37 H GLY 37 -10.351 1.741 10.844
248 HA2 GLY 37 1HA GLY 37 -12.417 3.460 11.000
249 HA3 GLY 37 2HA GLY 37 -12.528 2.913 9.334
250 H GLU 38 H GLU 38 -11.842 0.255 9.575
251 HA GLU 38 HA GLU 38 -13.499 -0.947 11.625
252 HB2 GLU 38 1HB GLU 38 -15.049 -2.017 10.162
253 HB3 GLU 38 2HB GLU 38 -15.065 -0.305 9.766
254 HG2 GLU 38 1HG GLU 38 -13.348 -2.226 8.246
255 HG3 GLU 38 2HG GLU 38 -15.052 -2.007 7.852
256 H LYS 39 H LYS 39 -13.224 -3.221 11.799
257 HA LYS 39 HA LYS 39 -10.648 -4.114 10.788
258 HB2 LYS 39 1HB LYS 39 -12.556 -5.446 12.719
259 HB3 LYS 39 2HB LYS 39 -10.921 -5.983 12.357
260 HG2 LYS 39 1HG LYS 39 -10.113 -3.763 13.210
261 HG3 LYS 39 2HG LYS 39 -11.760 -3.467 13.771
262 HD2 LYS 39 1HD LYS 39 -11.530 -5.739 14.964
263 HD3 LYS 39 2HD LYS 39 -9.797 -5.542 14.691
264 HE2 LYS 39 1HE LYS 39 -10.087 -3.235 15.767
265 HE3 LYS 39 2HE LYS 39 -11.651 -3.831 16.321
266 HZ1 LYS 39 3HZ LYS 39 -9.745 -5.773 16.923
267 HZ2 LYS 39 1HZ LYS 39 -10.620 -4.806 18.001
268 HZ3 LYS 39 2HZ LYS 39 -9.113 -4.289 17.433
269 HA PRO 40 HA PRO 40 -12.353 -6.541 7.523
270 HB2 PRO 40 1HB PRO 40 -10.236 -8.191 7.117
271 HB3 PRO 40 2HB PRO 40 -10.246 -6.500 6.606
272 HG2 PRO 40 1HG PRO 40 -9.019 -7.734 9.041
273 HG3 PRO 40 2HG PRO 40 -8.351 -6.504 7.953
274 HD2 PRO 40 1HD PRO 40 -9.456 -5.887 10.347
275 HD3 PRO 40 2HD PRO 40 -9.541 -4.798 8.948
276 H SER 41 H SER 41 -12.153 -9.082 6.943
277 HA SER 41 HA SER 41 -13.184 -10.467 9.322
278 HB2 SER 41 1HB SER 41 -14.379 -11.933 7.770
279 HB3 SER 41 2HB SER 41 -14.758 -10.245 7.428
280 HG SER 41 HG SER 41 -14.089 -11.842 5.644
281 H GLY 42 H GLY 42 -11.290 -11.263 10.196
282 HA2 GLY 42 1HA GLY 42 -9.668 -13.019 8.473
283 HA3 GLY 42 2HA GLY 42 -9.120 -12.287 9.973
284 HA PRO 43 HA PRO 43 -9.980 -16.081 12.008
285 HB2 PRO 43 1HB PRO 43 -10.274 -15.176 14.551
286 HB3 PRO 43 2HB PRO 43 -8.706 -15.275 13.742
287 HG2 PRO 43 1HG PRO 43 -10.493 -12.904 14.127
288 HG3 PRO 43 2HG PRO 43 -8.732 -13.018 14.302
289 HD2 PRO 43 1HD PRO 43 -9.913 -11.984 12.096
290 HD3 PRO 43 2HD PRO 43 -8.370 -12.860 12.031
291 H SER 44 H SER 44 -11.625 -17.213 13.221
292 HA SER 44 HA SER 44 -13.790 -17.846 13.538
293 HB2 SER 44 1HB SER 44 -14.226 -14.937 14.249
294 HB3 SER 44 2HB SER 44 -15.193 -16.315 14.775
295 HG SER 44 HG SER 44 -12.558 -15.620 15.518
296 H SER 45 H SER 45 -13.142 -17.258 10.888
297 HA SER 45 HA SER 45 -15.706 -17.018 9.734
298 HB2 SER 45 1HB SER 45 -15.111 -14.586 10.356
299 HB3 SER 45 2HB SER 45 -13.942 -14.676 9.039
300 HG SER 45 HG SER 45 -15.768 -13.931 8.106
301 H GLY 46 H GLY 46 -15.469 -16.710 7.237
302 HA2 GLY 46 1HA GLY 46 -13.574 -18.693 6.376
303 HA3 GLY 46 2HA GLY 46 -14.745 -17.859 5.365
Start of MODEL 2
1 H1 GLY 1 H GLY 1 0.353 -21.770 -16.889
2 HA2 GLY 1 1HA GLY 1 -0.875 -19.379 -16.077
3 HA3 GLY 1 2HA GLY 1 -0.319 -20.225 -14.640
4 H SER 2 H SER 2 0.638 -17.708 -15.430
5 HA SER 2 HA SER 2 3.408 -18.363 -16.198
6 HB2 SER 2 1HB SER 2 2.108 -16.946 -17.846
7 HB3 SER 2 2HB SER 2 2.061 -15.688 -16.611
8 HG SER 2 HG SER 2 3.930 -15.144 -17.396
9 H SER 3 H SER 3 4.787 -18.174 -14.576
10 HA SER 3 HA SER 3 4.670 -15.892 -12.796
11 HB2 SER 3 1HB SER 3 3.215 -17.392 -11.591
12 HB3 SER 3 2HB SER 3 4.358 -18.723 -11.773
13 HG SER 3 HG SER 3 5.827 -17.509 -10.483
14 H GLY 4 H GLY 4 6.673 -15.185 -12.470
15 HA2 GLY 4 1HA GLY 4 8.872 -16.895 -11.890
16 HA3 GLY 4 2HA GLY 4 8.944 -16.339 -13.556
17 H SER 5 H SER 5 7.923 -13.754 -13.229
18 HA SER 5 HA SER 5 10.073 -12.189 -12.840
19 HB2 SER 5 1HB SER 5 7.667 -11.516 -13.483
20 HB3 SER 5 2HB SER 5 7.414 -11.279 -11.754
21 HG SER 5 HG SER 5 8.102 -9.373 -12.921
22 H SER 6 H SER 6 11.515 -12.472 -11.242
23 HA SER 6 HA SER 6 10.550 -12.564 -8.470
24 HB2 SER 6 1HB SER 6 13.281 -13.250 -9.585
25 HB3 SER 6 2HB SER 6 12.777 -13.435 -7.905
26 HG SER 6 HG SER 6 12.612 -15.267 -9.638
27 H GLY 7 H GLY 7 10.435 -10.088 -9.719
28 HA2 GLY 7 1HA GLY 7 12.810 -8.589 -8.959
29 HA3 GLY 7 2HA GLY 7 11.376 -7.946 -9.746
30 H THR 8 H THR 8 13.090 -7.511 -7.121
31 HA THR 8 HA THR 8 10.755 -7.168 -5.354
32 HB THR 8 HB THR 8 12.432 -7.147 -3.472
33 HG1 THR 8 HG1 THR 8 14.192 -6.936 -5.278
34 HG21 THR 8 3HG2 THR 8 12.372 -9.697 -5.087
35 HG22 THR 8 1HG2 THR 8 11.056 -9.132 -4.060
36 HG23 THR 8 2HG2 THR 8 12.613 -9.552 -3.347
37 H GLY 9 H GLY 9 10.211 -5.102 -6.078
38 HA2 GLY 9 1HA GLY 9 11.841 -2.957 -6.604
39 HA3 GLY 9 2HA GLY 9 10.234 -2.807 -5.908
40 H GLU 10 H GLU 10 12.403 -1.063 -5.375
41 HA GLU 10 HA GLU 10 13.573 -1.744 -2.847
42 HB2 GLU 10 1HB GLU 10 14.654 -0.231 -4.510
43 HB3 GLU 10 2HB GLU 10 13.405 0.962 -4.182
44 HG2 GLU 10 1HG GLU 10 15.028 1.732 -2.802
45 HG3 GLU 10 2HG GLU 10 14.219 0.621 -1.698
46 H ASN 11 H ASN 11 11.195 -2.254 -2.146
47 HA ASN 11 HA ASN 11 10.228 0.106 -0.678
48 HB2 ASN 11 1HB ASN 11 8.520 -2.036 -1.964
49 HB3 ASN 11 2HB ASN 11 7.918 -0.731 -0.947
50 HD21 ASN 11 1HD2 ASN 11 7.651 1.272 -1.792
51 HD22 ASN 11 2HD2 ASN 11 7.906 1.656 -3.457
52 HA PRO 12 HA PRO 12 11.252 -3.213 2.338
53 HB2 PRO 12 1HB PRO 12 12.154 -1.496 4.237
54 HB3 PRO 12 2HB PRO 12 13.172 -2.094 2.922
55 HG2 PRO 12 1HG PRO 12 11.732 0.519 3.164
56 HG3 PRO 12 2HG PRO 12 13.375 0.197 2.582
57 HD2 PRO 12 1HD PRO 12 11.294 0.627 0.905
58 HD3 PRO 12 2HD PRO 12 12.644 -0.450 0.494
59 H TYR 13 H TYR 13 9.025 -0.709 2.121
60 HA TYR 13 HA TYR 13 7.691 -1.593 4.595
61 HB2 TYR 13 1HB TYR 13 7.484 1.162 3.371
62 HB3 TYR 13 2HB TYR 13 6.799 0.629 4.902
63 HD1 TYR 13 HD1 TYR 13 8.319 0.116 6.814
64 HD2 TYR 13 HD2 TYR 13 9.737 1.898 3.221
65 HE1 TYR 13 HE1 TYR 13 10.360 0.834 7.983
66 HE2 TYR 13 HE2 TYR 13 11.783 2.620 4.379
67 HH TYR 13 HH TYR 13 12.372 3.134 6.924
68 H GLU 14 H GLU 14 6.151 -2.951 3.910
69 HA GLU 14 HA GLU 14 4.423 -2.065 1.692
70 HB2 GLU 14 1HB GLU 14 5.531 -4.725 2.414
71 HB3 GLU 14 2HB GLU 14 3.888 -4.690 1.787
72 HG2 GLU 14 1HG GLU 14 4.541 -4.040 -0.291
73 HG3 GLU 14 2HG GLU 14 5.963 -3.183 0.301
74 H CYS 15 H CYS 15 2.212 -2.185 1.931
75 HA CYS 15 HA CYS 15 1.216 -2.005 4.597
76 HB2 CYS 15 1HB CYS 15 0.309 -0.715 2.656
77 HB3 CYS 15 2HB CYS 15 -0.362 -2.216 2.026
78 H HIS 16 H HIS 16 0.538 -3.584 5.878
79 HA HIS 16 HA HIS 16 0.308 -6.282 4.844
80 HB2 HIS 16 1HB HIS 16 0.037 -6.908 7.230
81 HB3 HIS 16 2HB HIS 16 1.497 -5.970 6.935
82 HD1 HIS 16 HD1 HIS 16 1.874 -4.442 8.828
83 HD2 HIS 16 HD2 HIS 16 -2.166 -4.800 7.929
84 HE1 HIS 16 HE1 HIS 16 0.690 -2.906 10.430
85 H GLU 17 H GLU 17 -1.704 -4.166 4.202
86 HA GLU 17 HA GLU 17 -4.088 -5.544 5.255
87 HB2 GLU 17 1HB GLU 17 -3.854 -2.662 4.371
88 HB3 GLU 17 2HB GLU 17 -5.317 -3.440 4.958
89 HG2 GLU 17 1HG GLU 17 -3.960 -3.915 7.087
90 HG3 GLU 17 2HG GLU 17 -2.850 -2.691 6.473
91 H CYS 18 H CYS 18 -2.857 -3.705 2.467
92 HA CYS 18 HA CYS 18 -4.691 -5.241 0.749
93 HB2 CYS 18 1HB CYS 18 -4.506 -3.402 -0.866
94 HB3 CYS 18 2HB CYS 18 -5.091 -2.823 0.691
95 H GLY 19 H GLY 19 -1.411 -3.879 0.913
96 HA2 GLY 19 1HA GLY 19 0.348 -5.597 0.367
97 HA3 GLY 19 2HA GLY 19 -0.587 -5.887 -1.093
98 H LYS 20 H LYS 20 -0.211 -2.673 0.189
99 HA LYS 20 HA LYS 20 1.001 -1.791 -2.264
100 HB2 LYS 20 1HB LYS 20 -0.676 -0.565 -0.620
101 HB3 LYS 20 2HB LYS 20 0.817 -0.024 0.134
102 HG2 LYS 20 1HG LYS 20 1.527 1.065 -1.852
103 HG3 LYS 20 2HG LYS 20 0.230 0.325 -2.794
104 HD2 LYS 20 1HD LYS 20 -1.295 1.540 -1.022
105 HD3 LYS 20 2HD LYS 20 0.123 2.576 -0.843
106 HE2 LYS 20 1HE LYS 20 -0.035 3.390 -2.986
107 HE3 LYS 20 2HE LYS 20 -0.871 1.957 -3.583
108 HZ1 LYS 20 3HZ LYS 20 -1.951 4.340 -2.309
109 HZ2 LYS 20 1HZ LYS 20 -2.680 2.873 -1.886
110 HZ3 LYS 20 2HZ LYS 20 -2.623 3.352 -3.507
111 H ALA 21 H ALA 21 2.906 -0.207 -2.087
112 HA ALA 21 HA ALA 21 4.885 -1.111 -0.120
113 HB1 ALA 21 3HB ALA 21 5.925 -2.324 -1.672
114 HB2 ALA 21 1HB ALA 21 4.935 -1.652 -2.969
115 HB3 ALA 21 2HB ALA 21 6.378 -0.795 -2.425
116 H PHE 22 H PHE 22 6.374 0.419 0.494
117 HA PHE 22 HA PHE 22 6.313 3.020 -0.854
118 HB2 PHE 22 1HB PHE 22 6.158 2.787 2.151
119 HB3 PHE 22 2HB PHE 22 5.983 4.239 1.170
120 HD1 PHE 22 HD2 PHE 22 4.399 0.916 1.729
121 HD2 PHE 22 HD1 PHE 22 3.872 4.997 0.642
122 HE1 PHE 22 HE2 PHE 22 1.962 0.585 1.687
123 HE2 PHE 22 HE1 PHE 22 1.433 4.673 0.598
124 HZ PHE 22 HZ PHE 22 0.475 2.465 1.120
125 H SER 23 H SER 23 8.165 4.332 -0.483
126 HA SER 23 HA SER 23 10.580 2.849 -0.272
127 HB2 SER 23 1HB SER 23 9.941 5.777 -0.540
128 HB3 SER 23 2HB SER 23 11.599 5.231 -0.288
129 HG SER 23 HG SER 23 11.662 4.703 -2.310
130 H ARG 24 H ARG 24 9.105 5.340 1.800
131 HA ARG 24 HA ARG 24 10.966 4.588 3.942
132 HB2 ARG 24 1HB ARG 24 9.104 6.931 4.099
133 HB3 ARG 24 2HB ARG 24 10.666 6.701 4.873
134 HG2 ARG 24 1HG ARG 24 11.575 6.750 2.435
135 HG3 ARG 24 2HG ARG 24 10.041 7.547 2.083
136 HD2 ARG 24 1HD ARG 24 10.523 9.337 3.541
137 HD3 ARG 24 2HD ARG 24 11.858 8.465 4.293
138 HE ARG 24 HE ARG 24 11.912 9.928 1.796
139 HH11 ARG 24 1HH1 ARG 24 13.480 7.589 3.842
140 HH12 ARG 24 2HH1 ARG 24 15.038 7.804 3.115
141 HH21 ARG 24 1HH2 ARG 24 13.958 10.220 0.830
142 HH22 ARG 24 2HH2 ARG 24 15.309 9.302 1.403
143 H LYS 25 H LYS 25 9.855 4.983 6.210
144 HA LYS 25 HA LYS 25 7.823 2.978 6.425
145 HB2 LYS 25 1HB LYS 25 9.524 3.166 8.146
146 HB3 LYS 25 2HB LYS 25 9.041 4.823 8.487
147 HG2 LYS 25 1HG LYS 25 8.066 3.615 10.204
148 HG3 LYS 25 2HG LYS 25 6.743 3.812 9.051
149 HD2 LYS 25 1HD LYS 25 8.460 1.401 8.794
150 HD3 LYS 25 2HD LYS 25 7.325 1.463 10.145
151 HE2 LYS 25 1HE LYS 25 5.658 2.216 8.235
152 HE3 LYS 25 2HE LYS 25 6.804 1.344 7.218
153 HZ1 LYS 25 3HZ LYS 25 6.147 -0.149 9.547
154 HZ2 LYS 25 1HZ LYS 25 6.002 -0.585 7.919
155 HZ3 LYS 25 2HZ LYS 25 4.751 0.259 8.683
156 H TYR 26 H TYR 26 7.929 6.471 7.104
157 HA TYR 26 HA TYR 26 5.286 6.789 7.914
158 HB2 TYR 26 1HB TYR 26 5.719 9.026 7.891
159 HB3 TYR 26 2HB TYR 26 7.376 8.459 7.725
160 HD1 TYR 26 HD1 TYR 26 8.338 8.283 5.360
161 HD2 TYR 26 HD2 TYR 26 4.771 10.418 6.266
162 HE1 TYR 26 HE1 TYR 26 8.561 9.535 3.255
163 HE2 TYR 26 HE2 TYR 26 4.983 11.676 4.163
164 HH TYR 26 HH TYR 26 6.375 10.965 1.725
165 H GLN 27 H GLN 27 6.691 6.821 4.673
166 HA GLN 27 HA GLN 27 4.540 7.707 3.190
167 HB2 GLN 27 1HB GLN 27 6.587 5.595 2.506
168 HB3 GLN 27 2HB GLN 27 5.468 6.288 1.340
169 HG2 GLN 27 1HG GLN 27 6.431 8.542 1.953
170 HG3 GLN 27 2HG GLN 27 7.692 7.661 2.815
171 HE21 GLN 27 1HE2 GLN 27 8.344 9.350 0.780
172 HE22 GLN 27 2HE2 GLN 27 8.906 8.445 -0.580
173 H LEU 28 H LEU 28 4.982 4.663 4.799
174 HA LEU 28 HA LEU 28 2.766 3.400 3.418
175 HB2 LEU 28 1HB LEU 28 4.408 1.854 3.915
176 HB3 LEU 28 2HB LEU 28 4.737 2.561 5.496
177 HG LEU 28 HG LEU 28 2.788 1.545 6.434
178 HD11 LEU 28 1HD1 LEU 28 1.870 1.544 3.747
179 HD12 LEU 28 2HD1 LEU 28 0.979 1.157 5.218
180 HD13 LEU 28 3HD1 LEU 28 1.836 -0.114 4.346
181 HD21 LEU 28 3HD2 LEU 28 4.940 0.176 5.856
182 HD22 LEU 28 1HD2 LEU 28 3.858 -0.671 4.749
183 HD23 LEU 28 2HD2 LEU 28 3.503 -0.639 6.477
184 H ILE 29 H ILE 29 3.498 4.626 6.662
185 HA ILE 29 HA ILE 29 1.173 3.908 7.976
186 HB ILE 29 HB ILE 29 3.009 6.259 8.304
187 HG12 ILE 29 1HG1 ILE 29 3.307 5.054 10.556
188 HG13 ILE 29 2HG1 ILE 29 2.424 3.721 9.819
189 HG21 ILE 29 1HG2 ILE 29 0.310 5.923 9.416
190 HG22 ILE 29 2HG2 ILE 29 1.564 6.313 10.592
191 HG23 ILE 29 3HG2 ILE 29 1.284 7.379 9.216
192 HD11 ILE 29 3HD1 ILE 29 4.966 4.902 8.729
193 HD12 ILE 29 1HD1 ILE 29 4.868 3.450 9.724
194 HD13 ILE 29 2HD1 ILE 29 4.116 3.478 8.129
195 H SER 30 H SER 30 1.810 6.855 6.091
196 HA SER 30 HA SER 30 -0.602 8.158 6.489
197 HB2 SER 30 1HB SER 30 1.506 8.955 5.233
198 HB3 SER 30 2HB SER 30 0.795 8.176 3.820
199 HG SER 30 HG SER 30 -0.648 9.715 3.692
200 H HIS 31 H HIS 31 0.186 5.518 4.317
201 HA HIS 31 HA HIS 31 -2.254 5.615 2.842
202 HB2 HIS 31 1HB HIS 31 -0.377 4.568 1.799
203 HB3 HIS 31 2HB HIS 31 -0.143 3.481 3.166
204 HD1 HIS 31 HD1 HIS 31 -2.504 4.085 0.281
205 HD2 HIS 31 HD2 HIS 31 -1.553 1.128 3.040
206 HE1 HIS 31 HE1 HIS 31 -3.766 2.041 -0.463
207 H GLN 32 H GLN 32 -1.073 3.557 5.491
208 HA GLN 32 HA GLN 32 -3.182 1.836 5.784
209 HB2 GLN 32 1HB GLN 32 -1.660 3.157 8.038
210 HB3 GLN 32 2HB GLN 32 -2.570 1.656 8.146
211 HG2 GLN 32 1HG GLN 32 -0.988 0.838 6.275
212 HG3 GLN 32 2HG GLN 32 0.025 2.194 6.768
213 HE21 GLN 32 1HE2 GLN 32 -0.405 -0.995 7.159
214 HE22 GLN 32 2HE2 GLN 32 0.259 -1.207 8.740
215 H ARG 33 H ARG 33 -2.988 5.199 6.778
216 HA ARG 33 HA ARG 33 -5.074 5.490 8.499
217 HB2 ARG 33 1HB ARG 33 -4.586 7.356 6.175
218 HB3 ARG 33 2HB ARG 33 -5.308 7.758 7.727
219 HG2 ARG 33 1HG ARG 33 -2.447 6.973 7.216
220 HG3 ARG 33 2HG ARG 33 -3.051 8.571 7.660
221 HD2 ARG 33 1HD ARG 33 -4.044 7.205 9.707
222 HD3 ARG 33 2HD ARG 33 -2.694 6.137 9.323
223 HE ARG 33 HE ARG 33 -1.228 7.757 10.058
224 HH11 ARG 33 1HH1 ARG 33 -4.447 9.067 9.846
225 HH12 ARG 33 2HH1 ARG 33 -4.050 10.525 10.694
226 HH21 ARG 33 1HH2 ARG 33 -0.694 9.672 11.176
227 HH22 ARG 33 2HH2 ARG 33 -1.915 10.868 11.450
228 H THR 34 H THR 34 -5.272 5.147 4.988
229 HA THR 34 HA THR 34 -7.991 5.651 4.645
230 HB THR 34 HB THR 34 -7.851 4.460 2.558
231 HG1 THR 34 HG1 THR 34 -5.415 3.377 3.573
232 HG21 THR 34 3HG2 THR 34 -5.584 6.174 3.394
233 HG22 THR 34 1HG2 THR 34 -6.769 6.410 2.110
234 HG23 THR 34 2HG2 THR 34 -5.409 5.314 1.865
235 H HIS 35 H HIS 35 -6.318 2.687 5.576
236 HA HIS 35 HA HIS 35 -8.620 1.017 5.466
237 HB2 HIS 35 1HB HIS 35 -5.924 0.728 6.786
238 HB3 HIS 35 2HB HIS 35 -7.173 -0.506 6.925
239 HD1 HIS 35 HD1 HIS 35 -8.048 -1.429 4.485
240 HD2 HIS 35 HD2 HIS 35 -4.332 0.424 4.618
241 HE1 HIS 35 HE1 HIS 35 -6.860 -2.154 2.391
242 H ALA 36 H ALA 36 -7.016 2.824 8.046
243 HA ALA 36 HA ALA 36 -8.232 1.935 10.300
244 HB1 ALA 36 3HB ALA 36 -6.936 4.336 9.500
245 HB2 ALA 36 1HB ALA 36 -8.353 4.759 10.461
246 HB3 ALA 36 2HB ALA 36 -7.131 3.674 11.123
247 H GLY 37 H GLY 37 -10.274 1.558 10.840
248 HA2 GLY 37 1HA GLY 37 -12.332 3.509 10.150
249 HA3 GLY 37 2HA GLY 37 -12.550 1.881 9.524
250 H GLU 38 H GLU 38 -13.880 0.689 10.698
251 HA GLU 38 HA GLU 38 -14.153 1.291 13.561
252 HB2 GLU 38 1HB GLU 38 -16.011 0.170 11.501
253 HB3 GLU 38 2HB GLU 38 -16.261 -0.237 13.193
254 HG2 GLU 38 1HG GLU 38 -16.089 2.356 13.520
255 HG3 GLU 38 2HG GLU 38 -16.527 2.383 11.813
256 H LYS 39 H LYS 39 -12.358 0.093 14.263
257 HA LYS 39 HA LYS 39 -11.759 -2.543 13.584
258 HB2 LYS 39 1HB LYS 39 -11.283 -1.104 16.201
259 HB3 LYS 39 2HB LYS 39 -10.520 -2.618 15.731
260 HG2 LYS 39 1HG LYS 39 -9.745 -1.242 13.650
261 HG3 LYS 39 2HG LYS 39 -10.056 0.140 14.704
262 HD2 LYS 39 1HD LYS 39 -8.365 -0.412 16.153
263 HD3 LYS 39 2HD LYS 39 -8.459 -2.134 15.776
264 HE2 LYS 39 1HE LYS 39 -6.405 -1.232 14.893
265 HE3 LYS 39 2HE LYS 39 -7.474 -1.663 13.559
266 HZ1 LYS 39 3HZ LYS 39 -7.636 0.456 12.903
267 HZ2 LYS 39 1HZ LYS 39 -6.227 0.698 13.807
268 HZ3 LYS 39 2HZ LYS 39 -7.735 1.063 14.479
269 HA PRO 40 HA PRO 40 -14.953 -4.925 15.458
270 HB2 PRO 40 1HB PRO 40 -13.639 -7.289 15.692
271 HB3 PRO 40 2HB PRO 40 -14.219 -6.662 14.145
272 HG2 PRO 40 1HG PRO 40 -11.467 -6.560 15.318
273 HG3 PRO 40 2HG PRO 40 -11.961 -6.925 13.655
274 HD2 PRO 40 1HD PRO 40 -11.018 -4.497 14.394
275 HD3 PRO 40 2HD PRO 40 -12.229 -4.701 13.112
276 H SER 41 H SER 41 -15.056 -6.696 17.309
277 HA SER 41 HA SER 41 -14.848 -5.529 19.732
278 HB2 SER 41 1HB SER 41 -14.926 -7.727 20.747
279 HB3 SER 41 2HB SER 41 -15.901 -7.749 19.277
280 HG SER 41 HG SER 41 -14.415 -8.968 18.286
281 H GLY 42 H GLY 42 -13.369 -5.401 21.422
282 HA2 GLY 42 1HA GLY 42 -10.582 -6.080 20.716
283 HA3 GLY 42 2HA GLY 42 -11.004 -4.544 21.458
284 HA PRO 43 HA PRO 43 -10.371 -8.167 24.579
285 HB2 PRO 43 1HB PRO 43 -7.685 -8.095 24.965
286 HB3 PRO 43 2HB PRO 43 -8.457 -9.150 23.776
287 HG2 PRO 43 1HG PRO 43 -7.112 -6.507 23.372
288 HG3 PRO 43 2HG PRO 43 -6.997 -7.981 22.393
289 HD2 PRO 43 1HD PRO 43 -8.564 -5.886 21.693
290 HD3 PRO 43 2HD PRO 43 -8.988 -7.567 21.309
291 H SER 44 H SER 44 -10.250 -7.739 26.755
292 HA SER 44 HA SER 44 -10.544 -6.319 28.547
293 HB2 SER 44 1HB SER 44 -8.034 -7.011 28.350
294 HB3 SER 44 2HB SER 44 -7.783 -5.319 27.919
295 HG SER 44 HG SER 44 -8.871 -4.793 29.910
296 H SER 45 H SER 45 -11.692 -5.161 26.309
297 HA SER 45 HA SER 45 -10.814 -2.560 25.720
298 HB2 SER 45 1HB SER 45 -13.161 -2.189 24.936
299 HB3 SER 45 2HB SER 45 -12.427 -3.656 24.290
300 HG SER 45 HG SER 45 -14.659 -3.405 25.737
301 H GLY 46 H GLY 46 -10.579 -0.935 27.100
302 HA2 GLY 46 1HA GLY 46 -11.834 -0.862 29.654
303 HA3 GLY 46 2HA GLY 46 -10.880 0.424 28.932
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -1.523 -13.634 -14.327
2 HA2 GLY 1 1HA GLY 1 0.020 -15.666 -13.163
3 HA3 GLY 1 2HA GLY 1 0.326 -14.931 -14.730
4 H SER 2 H SER 2 2.395 -15.791 -13.110
5 HA SER 2 HA SER 2 3.569 -13.247 -12.193
6 HB2 SER 2 1HB SER 2 3.195 -14.922 -10.378
7 HB3 SER 2 2HB SER 2 4.280 -16.026 -11.224
8 HG SER 2 HG SER 2 4.849 -13.742 -9.760
9 H SER 3 H SER 3 4.716 -12.583 -13.925
10 HA SER 3 HA SER 3 6.800 -14.408 -14.917
11 HB2 SER 3 1HB SER 3 5.008 -12.598 -16.542
12 HB3 SER 3 2HB SER 3 6.505 -13.284 -17.173
13 HG SER 3 HG SER 3 4.645 -15.002 -15.983
14 H GLY 4 H GLY 4 8.201 -13.347 -13.406
15 HA2 GLY 4 1HA GLY 4 10.138 -11.831 -13.926
16 HA3 GLY 4 2HA GLY 4 8.921 -10.595 -14.208
17 H SER 5 H SER 5 10.774 -12.299 -11.860
18 HA SER 5 HA SER 5 9.353 -11.013 -9.647
19 HB2 SER 5 1HB SER 5 9.940 -13.455 -9.529
20 HB3 SER 5 2HB SER 5 11.640 -12.988 -9.497
21 HG SER 5 HG SER 5 10.834 -13.279 -7.392
22 H SER 6 H SER 6 12.597 -11.260 -11.056
23 HA SER 6 HA SER 6 13.861 -9.501 -9.246
24 HB2 SER 6 1HB SER 6 14.984 -11.135 -10.841
25 HB3 SER 6 2HB SER 6 14.694 -9.950 -12.115
26 HG SER 6 HG SER 6 15.847 -8.440 -10.690
27 H GLY 7 H GLY 7 14.589 -7.334 -9.595
28 HA2 GLY 7 1HA GLY 7 14.552 -5.259 -10.769
29 HA3 GLY 7 2HA GLY 7 13.140 -5.819 -11.653
30 H THR 8 H THR 8 11.537 -6.677 -9.551
31 HA THR 8 HA THR 8 10.891 -4.099 -8.296
32 HB THR 8 HB THR 8 9.146 -5.109 -9.747
33 HG1 THR 8 HG1 THR 8 7.511 -4.667 -8.294
34 HG21 THR 8 3HG2 THR 8 8.364 -7.115 -7.763
35 HG22 THR 8 1HG2 THR 8 9.873 -7.486 -8.596
36 HG23 THR 8 2HG2 THR 8 8.397 -7.216 -9.523
37 H GLY 9 H GLY 9 11.253 -3.862 -6.192
38 HA2 GLY 9 1HA GLY 9 10.481 -5.329 -4.087
39 HA3 GLY 9 2HA GLY 9 11.939 -6.177 -4.578
40 H GLU 10 H GLU 10 11.458 -2.701 -4.809
41 HA GLU 10 HA GLU 10 13.658 -2.356 -2.889
42 HB2 GLU 10 1HB GLU 10 13.940 -1.507 -5.249
43 HB3 GLU 10 2HB GLU 10 12.666 -0.345 -4.910
44 HG2 GLU 10 1HG GLU 10 14.459 0.950 -4.442
45 HG3 GLU 10 2HG GLU 10 14.230 0.220 -2.854
46 H ASN 11 H ASN 11 11.000 -2.798 -1.983
47 HA ASN 11 HA ASN 11 10.501 -0.218 -0.663
48 HB2 ASN 11 1HB ASN 11 8.518 -2.057 -1.975
49 HB3 ASN 11 2HB ASN 11 8.024 -1.006 -0.651
50 HD21 ASN 11 1HD2 ASN 11 9.304 1.284 -1.078
51 HD22 ASN 11 2HD2 ASN 11 8.865 1.974 -2.600
52 HA PRO 12 HA PRO 12 11.223 -3.289 2.626
53 HB2 PRO 12 1HB PRO 12 12.096 -1.453 4.426
54 HB3 PRO 12 2HB PRO 12 13.141 -2.155 3.184
55 HG2 PRO 12 1HG PRO 12 11.731 0.486 3.203
56 HG3 PRO 12 2HG PRO 12 13.386 0.105 2.692
57 HD2 PRO 12 1HD PRO 12 11.357 0.440 0.930
58 HD3 PRO 12 2HD PRO 12 12.703 -0.679 0.634
59 H TYR 13 H TYR 13 9.034 -0.788 2.167
60 HA TYR 13 HA TYR 13 7.617 -1.486 4.654
61 HB2 TYR 13 1HB TYR 13 7.481 1.192 3.262
62 HB3 TYR 13 2HB TYR 13 6.767 0.762 4.812
63 HD1 TYR 13 HD1 TYR 13 8.256 0.344 6.774
64 HD2 TYR 13 HD2 TYR 13 9.744 1.892 3.101
65 HE1 TYR 13 HE1 TYR 13 10.291 1.107 7.926
66 HE2 TYR 13 HE2 TYR 13 11.784 2.657 4.243
67 HH TYR 13 HH TYR 13 12.120 3.184 7.247
68 H GLU 14 H GLU 14 6.110 -2.891 3.964
69 HA GLU 14 HA GLU 14 4.417 -2.067 1.696
70 HB2 GLU 14 1HB GLU 14 5.540 -4.709 2.471
71 HB3 GLU 14 2HB GLU 14 3.917 -4.691 1.796
72 HG2 GLU 14 1HG GLU 14 4.624 -4.047 -0.267
73 HG3 GLU 14 2HG GLU 14 6.026 -3.182 0.360
74 H CYS 15 H CYS 15 2.210 -2.187 1.913
75 HA CYS 15 HA CYS 15 1.196 -2.096 4.595
76 HB2 CYS 15 1HB CYS 15 0.402 -0.678 2.631
77 HB3 CYS 15 2HB CYS 15 -0.443 -2.115 2.062
78 H HIS 16 H HIS 16 0.986 -3.949 5.683
79 HA HIS 16 HA HIS 16 0.520 -6.471 4.484
80 HB2 HIS 16 1HB HIS 16 0.332 -7.323 6.735
81 HB3 HIS 16 2HB HIS 16 1.632 -6.136 6.691
82 HD1 HIS 16 HD1 HIS 16 -0.340 -7.076 9.147
83 HD2 HIS 16 HD2 HIS 16 -0.273 -3.452 7.117
84 HE1 HIS 16 HE1 HIS 16 -1.377 -5.407 10.716
85 H GLU 17 H GLU 17 -1.530 -3.916 4.837
86 HA GLU 17 HA GLU 17 -3.922 -5.384 5.525
87 HB2 GLU 17 1HB GLU 17 -3.636 -2.570 4.458
88 HB3 GLU 17 2HB GLU 17 -5.083 -3.269 5.170
89 HG2 GLU 17 1HG GLU 17 -3.518 -3.659 7.228
90 HG3 GLU 17 2HG GLU 17 -2.566 -2.376 6.481
91 H CYS 18 H CYS 18 -2.688 -3.725 2.626
92 HA CYS 18 HA CYS 18 -4.560 -5.334 1.017
93 HB2 CYS 18 1HB CYS 18 -4.361 -3.546 -0.698
94 HB3 CYS 18 2HB CYS 18 -5.049 -2.970 0.817
95 H GLY 19 H GLY 19 -1.287 -3.966 1.108
96 HA2 GLY 19 1HA GLY 19 0.463 -5.695 0.570
97 HA3 GLY 19 2HA GLY 19 -0.484 -6.000 -0.879
98 H LYS 20 H LYS 20 -0.261 -2.745 0.217
99 HA LYS 20 HA LYS 20 0.983 -1.910 -2.208
100 HB2 LYS 20 1HB LYS 20 -0.665 -0.665 -0.537
101 HB3 LYS 20 2HB LYS 20 0.848 -0.097 0.156
102 HG2 LYS 20 1HG LYS 20 1.367 1.177 -1.658
103 HG3 LYS 20 2HG LYS 20 0.497 0.130 -2.782
104 HD2 LYS 20 1HD LYS 20 -1.552 1.091 -2.294
105 HD3 LYS 20 2HD LYS 20 -1.011 1.692 -0.725
106 HE2 LYS 20 1HE LYS 20 0.356 3.371 -1.799
107 HE3 LYS 20 2HE LYS 20 -0.045 2.724 -3.389
108 HZ1 LYS 20 3HZ LYS 20 -2.258 3.542 -1.665
109 HZ2 LYS 20 1HZ LYS 20 -2.105 3.639 -3.348
110 HZ3 LYS 20 2HZ LYS 20 -1.320 4.767 -2.361
111 H ALA 21 H ALA 21 2.846 -0.190 -1.946
112 HA ALA 21 HA ALA 21 4.870 -1.102 -0.046
113 HB1 ALA 21 3HB ALA 21 6.414 -0.871 -2.262
114 HB2 ALA 21 1HB ALA 21 5.783 -2.396 -1.638
115 HB3 ALA 21 2HB ALA 21 4.941 -1.561 -2.944
116 H PHE 22 H PHE 22 6.409 0.435 0.476
117 HA PHE 22 HA PHE 22 6.306 3.013 -0.900
118 HB2 PHE 22 1HB PHE 22 6.120 2.816 2.109
119 HB3 PHE 22 2HB PHE 22 6.004 4.270 1.122
120 HD1 PHE 22 HD2 PHE 22 4.315 1.015 1.735
121 HD2 PHE 22 HD1 PHE 22 3.930 5.061 0.472
122 HE1 PHE 22 HE2 PHE 22 1.870 0.750 1.645
123 HE2 PHE 22 HE1 PHE 22 1.485 4.803 0.380
124 HZ PHE 22 HZ PHE 22 0.452 2.646 0.966
125 H SER 23 H SER 23 8.143 4.364 -0.503
126 HA SER 23 HA SER 23 10.570 2.893 -0.283
127 HB2 SER 23 1HB SER 23 10.002 5.117 -1.591
128 HB3 SER 23 2HB SER 23 10.532 5.878 -0.092
129 HG SER 23 HG SER 23 12.500 5.482 -0.676
130 H ARG 24 H ARG 24 9.059 5.386 1.758
131 HA ARG 24 HA ARG 24 10.921 4.673 3.915
132 HB2 ARG 24 1HB ARG 24 9.060 7.017 4.044
133 HB3 ARG 24 2HB ARG 24 10.628 6.799 4.808
134 HG2 ARG 24 1HG ARG 24 11.465 6.787 2.311
135 HG3 ARG 24 2HG ARG 24 9.964 7.678 2.051
136 HD2 ARG 24 1HD ARG 24 11.633 9.304 2.446
137 HD3 ARG 24 2HD ARG 24 10.688 9.200 3.930
138 HE ARG 24 HE ARG 24 13.054 7.542 3.866
139 HH11 ARG 24 1HH1 ARG 24 11.685 10.624 4.727
140 HH12 ARG 24 2HH1 ARG 24 12.912 10.991 5.894
141 HH21 ARG 24 1HH2 ARG 24 14.676 8.012 5.399
142 HH22 ARG 24 2HH2 ARG 24 14.613 9.505 6.275
143 H LYS 25 H LYS 25 9.893 4.929 6.169
144 HA LYS 25 HA LYS 25 7.829 2.988 6.396
145 HB2 LYS 25 1HB LYS 25 9.518 3.170 8.118
146 HB3 LYS 25 2HB LYS 25 9.065 4.838 8.441
147 HG2 LYS 25 1HG LYS 25 7.986 3.807 10.154
148 HG3 LYS 25 2HG LYS 25 6.716 3.743 8.930
149 HD2 LYS 25 1HD LYS 25 7.603 1.460 8.310
150 HD3 LYS 25 2HD LYS 25 8.601 1.546 9.764
151 HE2 LYS 25 1HE LYS 25 5.596 1.800 9.718
152 HE3 LYS 25 2HE LYS 25 6.471 0.317 10.093
153 HZ1 LYS 25 3HZ LYS 25 7.593 1.685 11.894
154 HZ2 LYS 25 1HZ LYS 25 5.975 1.261 12.150
155 HZ3 LYS 25 2HZ LYS 25 6.370 2.828 11.649
156 H TYR 26 H TYR 26 7.925 6.479 7.093
157 HA TYR 26 HA TYR 26 5.281 6.790 7.891
158 HB2 TYR 26 1HB TYR 26 5.689 9.040 7.840
159 HB3 TYR 26 2HB TYR 26 7.350 8.467 7.743
160 HD1 TYR 26 HD1 TYR 26 8.489 8.396 5.509
161 HD2 TYR 26 HD2 TYR 26 4.717 10.281 6.073
162 HE1 TYR 26 HE1 TYR 26 8.795 9.624 3.400
163 HE2 TYR 26 HE2 TYR 26 5.012 11.514 3.965
164 HH TYR 26 HH TYR 26 7.287 10.713 1.669
165 H GLN 27 H GLN 27 6.690 6.819 4.653
166 HA GLN 27 HA GLN 27 4.535 7.704 3.170
167 HB2 GLN 27 1HB GLN 27 6.639 5.646 2.509
168 HB3 GLN 27 2HB GLN 27 5.474 6.235 1.331
169 HG2 GLN 27 1HG GLN 27 6.340 8.572 1.953
170 HG3 GLN 27 2HG GLN 27 7.701 7.713 2.674
171 HE21 GLN 27 1HE2 GLN 27 8.638 9.206 0.911
172 HE22 GLN 27 2HE2 GLN 27 8.900 8.461 -0.625
173 H LEU 28 H LEU 28 4.973 4.680 4.803
174 HA LEU 28 HA LEU 28 2.779 3.393 3.404
175 HB2 LEU 28 1HB LEU 28 4.405 1.844 3.911
176 HB3 LEU 28 2HB LEU 28 4.761 2.576 5.474
177 HG LEU 28 HG LEU 28 2.822 1.580 6.459
178 HD11 LEU 28 1HD1 LEU 28 2.024 1.219 3.654
179 HD12 LEU 28 2HD1 LEU 28 1.041 1.487 5.092
180 HD13 LEU 28 3HD1 LEU 28 1.647 -0.128 4.727
181 HD21 LEU 28 3HD2 LEU 28 3.455 -0.874 5.174
182 HD22 LEU 28 1HD2 LEU 28 3.995 -0.279 6.744
183 HD23 LEU 28 2HD2 LEU 28 4.931 0.085 5.294
184 H ILE 29 H ILE 29 3.497 4.522 6.697
185 HA ILE 29 HA ILE 29 1.146 3.830 7.959
186 HB ILE 29 HB ILE 29 3.019 6.137 8.357
187 HG12 ILE 29 1HG1 ILE 29 3.165 4.868 10.627
188 HG13 ILE 29 2HG1 ILE 29 2.376 3.558 9.756
189 HG21 ILE 29 1HG2 ILE 29 0.300 5.824 9.455
190 HG22 ILE 29 2HG2 ILE 29 1.562 6.243 10.612
191 HG23 ILE 29 3HG2 ILE 29 1.268 7.278 9.214
192 HD11 ILE 29 3HD1 ILE 29 4.803 4.806 8.578
193 HD12 ILE 29 1HD1 ILE 29 4.979 3.688 9.930
194 HD13 ILE 29 2HD1 ILE 29 4.200 3.155 8.441
195 H SER 30 H SER 30 1.843 6.839 6.192
196 HA SER 30 HA SER 30 -0.556 8.152 6.577
197 HB2 SER 30 1HB SER 30 1.485 9.073 5.431
198 HB3 SER 30 2HB SER 30 1.015 8.169 3.991
199 HG SER 30 HG SER 30 -0.548 10.151 5.293
200 H HIS 31 H HIS 31 0.211 5.532 4.381
201 HA HIS 31 HA HIS 31 -2.213 5.702 2.877
202 HB2 HIS 31 1HB HIS 31 -0.349 4.660 1.815
203 HB3 HIS 31 2HB HIS 31 -0.119 3.547 3.160
204 HD1 HIS 31 HD1 HIS 31 -2.446 4.203 0.265
205 HD2 HIS 31 HD2 HIS 31 -1.571 1.213 3.013
206 HE1 HIS 31 HE1 HIS 31 -3.725 2.182 -0.511
207 H GLN 32 H GLN 32 -1.068 3.529 5.452
208 HA GLN 32 HA GLN 32 -3.207 1.844 5.693
209 HB2 GLN 32 1HB GLN 32 -1.688 3.059 8.006
210 HB3 GLN 32 2HB GLN 32 -2.592 1.550 8.031
211 HG2 GLN 32 1HG GLN 32 -1.001 0.794 6.170
212 HG3 GLN 32 2HG GLN 32 -0.005 2.165 6.657
213 HE21 GLN 32 1HE2 GLN 32 -0.568 -1.054 7.120
214 HE22 GLN 32 2HE2 GLN 32 0.202 -1.258 8.652
215 H ARG 33 H ARG 33 -2.983 5.185 6.708
216 HA ARG 33 HA ARG 33 -5.038 5.473 8.475
217 HB2 ARG 33 1HB ARG 33 -4.524 7.343 6.156
218 HB3 ARG 33 2HB ARG 33 -5.292 7.750 7.685
219 HG2 ARG 33 1HG ARG 33 -2.428 6.891 7.329
220 HG3 ARG 33 2HG ARG 33 -2.992 8.542 7.597
221 HD2 ARG 33 1HD ARG 33 -4.062 7.635 9.733
222 HD3 ARG 33 2HD ARG 33 -3.060 6.206 9.484
223 HE ARG 33 HE ARG 33 -1.281 8.238 9.348
224 HH11 ARG 33 1HH1 ARG 33 -3.719 7.346 11.668
225 HH12 ARG 33 2HH1 ARG 33 -2.859 8.006 13.019
226 HH21 ARG 33 1HH2 ARG 33 -0.139 9.110 11.119
227 HH22 ARG 33 2HH2 ARG 33 -0.824 9.009 12.706
228 H THR 34 H THR 34 -5.283 5.111 4.974
229 HA THR 34 HA THR 34 -8.013 5.646 4.683
230 HB THR 34 HB THR 34 -7.907 4.517 2.568
231 HG1 THR 34 HG1 THR 34 -6.869 2.662 2.659
232 HG21 THR 34 3HG2 THR 34 -6.797 6.451 2.138
233 HG22 THR 34 1HG2 THR 34 -5.451 5.344 1.870
234 HG23 THR 34 2HG2 THR 34 -5.610 6.182 3.414
235 H HIS 35 H HIS 35 -6.315 2.684 5.557
236 HA HIS 35 HA HIS 35 -8.591 0.986 5.431
237 HB2 HIS 35 1HB HIS 35 -5.887 0.740 6.733
238 HB3 HIS 35 2HB HIS 35 -7.119 -0.504 6.929
239 HD1 HIS 35 HD1 HIS 35 -8.007 -1.548 4.565
240 HD2 HIS 35 HD2 HIS 35 -4.366 0.453 4.505
241 HE1 HIS 35 HE1 HIS 35 -6.862 -2.298 2.455
242 H ALA 36 H ALA 36 -6.988 2.722 8.073
243 HA ALA 36 HA ALA 36 -8.132 1.872 10.321
244 HB1 ALA 36 3HB ALA 36 -8.553 4.666 10.422
245 HB2 ALA 36 1HB ALA 36 -7.199 3.738 11.070
246 HB3 ALA 36 2HB ALA 36 -7.124 4.381 9.429
247 H GLY 37 H GLY 37 -10.093 1.626 11.219
248 HA2 GLY 37 1HA GLY 37 -12.372 3.090 10.090
249 HA3 GLY 37 2HA GLY 37 -12.434 1.333 10.099
250 H GLU 38 H GLU 38 -12.082 0.302 12.276
251 HA GLU 38 HA GLU 38 -12.859 1.957 14.539
252 HB2 GLU 38 1HB GLU 38 -14.618 -0.069 13.250
253 HB3 GLU 38 2HB GLU 38 -14.610 0.001 15.007
254 HG2 GLU 38 1HG GLU 38 -15.119 2.438 14.834
255 HG3 GLU 38 2HG GLU 38 -15.316 2.213 13.097
256 H LYS 39 H LYS 39 -12.383 1.044 16.547
257 HA LYS 39 HA LYS 39 -10.870 -1.483 16.455
258 HB2 LYS 39 1HB LYS 39 -10.174 1.155 17.638
259 HB3 LYS 39 2HB LYS 39 -9.705 -0.279 18.540
260 HG2 LYS 39 1HG LYS 39 -8.402 -1.087 16.701
261 HG3 LYS 39 2HG LYS 39 -8.993 0.207 15.657
262 HD2 LYS 39 1HD LYS 39 -7.984 1.777 17.462
263 HD3 LYS 39 2HD LYS 39 -7.068 0.349 17.946
264 HE2 LYS 39 1HE LYS 39 -5.885 0.275 15.971
265 HE3 LYS 39 2HE LYS 39 -7.132 1.135 15.069
266 HZ1 LYS 39 3HZ LYS 39 -5.991 2.717 17.167
267 HZ2 LYS 39 1HZ LYS 39 -6.195 3.084 15.528
268 HZ3 LYS 39 2HZ LYS 39 -4.835 2.218 16.037
269 HA PRO 40 HA PRO 40 -13.305 -3.011 19.768
270 HB2 PRO 40 1HB PRO 40 -11.482 -4.318 21.297
271 HB3 PRO 40 2HB PRO 40 -12.017 -4.913 19.722
272 HG2 PRO 40 1HG PRO 40 -9.531 -3.406 20.432
273 HG3 PRO 40 2HG PRO 40 -9.724 -4.801 19.354
274 HD2 PRO 40 1HD PRO 40 -9.504 -2.266 18.429
275 HD3 PRO 40 2HD PRO 40 -10.471 -3.504 17.602
276 H SER 41 H SER 41 -11.199 -0.513 20.222
277 HA SER 41 HA SER 41 -11.639 -0.348 23.119
278 HB2 SER 41 1HB SER 41 -9.331 -0.041 22.497
279 HB3 SER 41 2HB SER 41 -9.767 1.166 21.287
280 HG SER 41 HG SER 41 -9.130 2.304 23.050
281 H GLY 42 H GLY 42 -13.695 0.412 23.349
282 HA2 GLY 42 1HA GLY 42 -14.365 2.918 21.941
283 HA3 GLY 42 2HA GLY 42 -15.544 1.765 22.548
284 HA PRO 43 HA PRO 43 -15.017 5.272 25.595
285 HB2 PRO 43 1HB PRO 43 -17.647 5.939 25.693
286 HB3 PRO 43 2HB PRO 43 -16.525 6.627 24.514
287 HG2 PRO 43 1HG PRO 43 -18.491 4.395 24.180
288 HG3 PRO 43 2HG PRO 43 -18.125 5.737 23.080
289 HD2 PRO 43 1HD PRO 43 -17.125 3.246 22.722
290 HD3 PRO 43 2HD PRO 43 -16.235 4.709 22.253
291 H SER 44 H SER 44 -14.517 3.480 27.023
292 HA SER 44 HA SER 44 -16.774 2.847 28.769
293 HB2 SER 44 1HB SER 44 -14.925 0.797 27.537
294 HB3 SER 44 2HB SER 44 -15.926 0.468 28.952
295 HG SER 44 HG SER 44 -16.703 0.073 26.600
296 H SER 45 H SER 45 -16.273 3.115 30.847
297 HA SER 45 HA SER 45 -13.995 4.274 31.784
298 HB2 SER 45 1HB SER 45 -16.255 3.707 32.982
299 HB3 SER 45 2HB SER 45 -15.387 2.276 33.536
300 HG SER 45 HG SER 45 -13.706 3.983 34.126
301 H GLY 46 H GLY 46 -11.943 3.683 32.010
302 HA2 GLY 46 1HA GLY 46 -10.897 1.252 31.198
303 HA3 GLY 46 2HA GLY 46 -10.067 2.381 32.258
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -5.314 -14.483 -13.359
2 HA2 GLY 1 1HA GLY 1 -4.501 -17.076 -13.779
3 HA3 GLY 1 2HA GLY 1 -4.577 -16.364 -15.384
4 H SER 2 H SER 2 -2.218 -17.340 -14.184
5 HA SER 2 HA SER 2 -0.729 -14.874 -13.585
6 HB2 SER 2 1HB SER 2 -0.171 -17.771 -12.948
7 HB3 SER 2 2HB SER 2 1.060 -16.518 -12.792
8 HG SER 2 HG SER 2 -0.160 -16.972 -10.842
9 H SER 3 H SER 3 0.665 -14.098 -15.026
10 HA SER 3 HA SER 3 1.711 -15.895 -17.104
11 HB2 SER 3 1HB SER 3 1.437 -14.024 -18.753
12 HB3 SER 3 2HB SER 3 -0.087 -14.691 -18.169
13 HG SER 3 HG SER 3 0.398 -12.811 -16.499
14 H GLY 4 H GLY 4 3.082 -15.185 -14.796
15 HA2 GLY 4 1HA GLY 4 5.576 -14.629 -15.416
16 HA3 GLY 4 2HA GLY 4 4.894 -13.015 -15.557
17 H SER 5 H SER 5 6.513 -12.542 -13.875
18 HA SER 5 HA SER 5 5.507 -13.253 -11.197
19 HB2 SER 5 1HB SER 5 7.802 -12.965 -10.364
20 HB3 SER 5 2HB SER 5 7.739 -14.195 -11.626
21 HG SER 5 HG SER 5 8.892 -12.959 -12.905
22 H SER 6 H SER 6 6.018 -11.591 -9.512
23 HA SER 6 HA SER 6 4.905 -9.112 -10.226
24 HB2 SER 6 1HB SER 6 6.463 -9.933 -7.765
25 HB3 SER 6 2HB SER 6 5.610 -8.398 -7.926
26 HG SER 6 HG SER 6 3.823 -10.105 -8.571
27 H GLY 7 H GLY 7 8.249 -9.864 -9.219
28 HA2 GLY 7 1HA GLY 7 9.962 -8.909 -10.818
29 HA3 GLY 7 2HA GLY 7 9.097 -7.395 -10.599
30 H THR 8 H THR 8 10.829 -6.280 -9.742
31 HA THR 8 HA THR 8 11.491 -6.994 -6.976
32 HB THR 8 HB THR 8 13.863 -6.347 -7.355
33 HG1 THR 8 HG1 THR 8 12.933 -6.196 -10.025
34 HG21 THR 8 3HG2 THR 8 12.619 -8.720 -8.665
35 HG22 THR 8 1HG2 THR 8 13.686 -8.639 -7.263
36 HG23 THR 8 2HG2 THR 8 14.345 -8.435 -8.887
37 H GLY 9 H GLY 9 12.692 -5.125 -5.889
38 HA2 GLY 9 1HA GLY 9 12.725 -2.521 -6.786
39 HA3 GLY 9 2HA GLY 9 11.093 -2.775 -6.184
40 H GLU 10 H GLU 10 12.649 -0.865 -5.027
41 HA GLU 10 HA GLU 10 13.691 -2.062 -2.561
42 HB2 GLU 10 1HB GLU 10 14.156 0.511 -3.991
43 HB3 GLU 10 2HB GLU 10 14.334 0.498 -2.242
44 HG2 GLU 10 1HG GLU 10 15.953 -1.354 -2.456
45 HG3 GLU 10 2HG GLU 10 15.824 -1.223 -4.209
46 H ASN 11 H ASN 11 11.371 -2.520 -2.027
47 HA ASN 11 HA ASN 11 10.165 -0.174 -0.715
48 HB2 ASN 11 1HB ASN 11 7.992 -1.650 -1.013
49 HB3 ASN 11 2HB ASN 11 8.559 -0.602 -2.310
50 HD21 ASN 11 1HD2 ASN 11 8.857 -1.479 -4.232
51 HD22 ASN 11 2HD2 ASN 11 8.966 -3.171 -4.564
52 HA PRO 12 HA PRO 12 11.222 -3.315 2.512
53 HB2 PRO 12 1HB PRO 12 12.105 -1.488 4.315
54 HB3 PRO 12 2HB PRO 12 13.140 -2.173 3.057
55 HG2 PRO 12 1HG PRO 12 11.714 0.458 3.112
56 HG3 PRO 12 2HG PRO 12 13.365 0.091 2.578
57 HD2 PRO 12 1HD PRO 12 11.313 0.427 0.843
58 HD3 PRO 12 2HD PRO 12 12.663 -0.681 0.523
59 H TYR 13 H TYR 13 9.029 -0.796 2.115
60 HA TYR 13 HA TYR 13 7.642 -1.528 4.610
61 HB2 TYR 13 1HB TYR 13 7.498 1.156 3.225
62 HB3 TYR 13 2HB TYR 13 6.762 0.720 4.763
63 HD1 TYR 13 HD1 TYR 13 8.208 0.318 6.751
64 HD2 TYR 13 HD2 TYR 13 9.777 1.829 3.096
65 HE1 TYR 13 HE1 TYR 13 10.226 1.074 7.937
66 HE2 TYR 13 HE2 TYR 13 11.800 2.588 4.271
67 HH TYR 13 HH TYR 13 13.032 2.175 6.272
68 H GLU 14 H GLU 14 6.074 -2.885 4.002
69 HA GLU 14 HA GLU 14 4.376 -2.093 1.727
70 HB2 GLU 14 1HB GLU 14 5.506 -4.726 2.511
71 HB3 GLU 14 2HB GLU 14 3.865 -4.720 1.881
72 HG2 GLU 14 1HG GLU 14 4.515 -4.111 -0.210
73 HG3 GLU 14 2HG GLU 14 5.928 -3.228 0.365
74 H CYS 15 H CYS 15 2.163 -2.242 1.958
75 HA CYS 15 HA CYS 15 1.165 -2.030 4.629
76 HB2 CYS 15 1HB CYS 15 0.251 -0.718 2.731
77 HB3 CYS 15 2HB CYS 15 -0.369 -2.207 2.027
78 H HIS 16 H HIS 16 0.533 -3.625 5.910
79 HA HIS 16 HA HIS 16 0.272 -6.313 4.871
80 HB2 HIS 16 1HB HIS 16 0.013 -6.947 7.254
81 HB3 HIS 16 2HB HIS 16 1.470 -6.002 6.960
82 HD1 HIS 16 HD1 HIS 16 1.851 -4.323 8.718
83 HD2 HIS 16 HD2 HIS 16 -2.202 -5.007 8.109
84 HE1 HIS 16 HE1 HIS 16 0.663 -2.839 10.364
85 H GLU 17 H GLU 17 -1.723 -4.386 4.045
86 HA GLU 17 HA GLU 17 -4.110 -5.706 5.154
87 HB2 GLU 17 1HB GLU 17 -3.943 -2.816 4.284
88 HB3 GLU 17 2HB GLU 17 -5.354 -3.628 4.948
89 HG2 GLU 17 1HG GLU 17 -3.923 -4.045 7.018
90 HG3 GLU 17 2HG GLU 17 -2.819 -2.850 6.341
91 H CYS 18 H CYS 18 -2.920 -3.768 2.411
92 HA CYS 18 HA CYS 18 -4.721 -5.297 0.654
93 HB2 CYS 18 1HB CYS 18 -4.540 -3.427 -0.923
94 HB3 CYS 18 2HB CYS 18 -5.125 -2.877 0.644
95 H GLY 19 H GLY 19 -1.439 -3.965 0.898
96 HA2 GLY 19 1HA GLY 19 0.327 -5.648 0.316
97 HA3 GLY 19 2HA GLY 19 -0.602 -5.923 -1.151
98 H LYS 20 H LYS 20 -0.252 -2.723 0.169
99 HA LYS 20 HA LYS 20 0.962 -1.802 -2.267
100 HB2 LYS 20 1HB LYS 20 -0.717 -0.607 -0.597
101 HB3 LYS 20 2HB LYS 20 0.779 -0.067 0.154
102 HG2 LYS 20 1HG LYS 20 1.331 1.283 -1.588
103 HG3 LYS 20 2HG LYS 20 0.525 0.262 -2.781
104 HD2 LYS 20 1HD LYS 20 -1.624 1.058 -1.429
105 HD3 LYS 20 2HD LYS 20 -0.571 2.430 -1.073
106 HE2 LYS 20 1HE LYS 20 -1.928 2.841 -3.062
107 HE3 LYS 20 2HE LYS 20 -0.211 2.784 -3.458
108 HZ1 LYS 20 3HZ LYS 20 -2.330 1.155 -4.425
109 HZ2 LYS 20 1HZ LYS 20 -1.110 0.203 -3.741
110 HZ3 LYS 20 2HZ LYS 20 -0.740 1.286 -4.986
111 H ALA 21 H ALA 21 2.843 -0.158 -2.006
112 HA ALA 21 HA ALA 21 4.824 -1.072 -0.057
113 HB1 ALA 21 3HB ALA 21 6.420 -0.879 -2.224
114 HB2 ALA 21 1HB ALA 21 5.721 -2.391 -1.645
115 HB3 ALA 21 2HB ALA 21 4.950 -1.510 -2.964
116 H PHE 22 H PHE 22 6.384 0.448 0.472
117 HA PHE 22 HA PHE 22 6.313 3.027 -0.905
118 HB2 PHE 22 1HB PHE 22 6.111 2.836 2.103
119 HB3 PHE 22 2HB PHE 22 6.004 4.287 1.111
120 HD1 PHE 22 HD2 PHE 22 4.300 1.035 1.708
121 HD2 PHE 22 HD1 PHE 22 3.935 5.092 0.472
122 HE1 PHE 22 HE2 PHE 22 1.855 0.782 1.610
123 HE2 PHE 22 HE1 PHE 22 1.489 4.845 0.374
124 HZ PHE 22 HZ PHE 22 0.446 2.688 0.942
125 H SER 23 H SER 23 8.145 4.397 -0.410
126 HA SER 23 HA SER 23 10.564 2.891 -0.200
127 HB2 SER 23 1HB SER 23 10.245 5.900 -0.186
128 HB3 SER 23 2HB SER 23 11.699 4.989 -0.593
129 HG SER 23 HG SER 23 9.356 5.373 -2.073
130 H ARG 24 H ARG 24 9.059 5.410 1.816
131 HA ARG 24 HA ARG 24 10.879 4.667 4.000
132 HB2 ARG 24 1HB ARG 24 9.082 7.069 4.052
133 HB3 ARG 24 2HB ARG 24 10.602 6.806 4.896
134 HG2 ARG 24 1HG ARG 24 11.610 6.768 2.495
135 HG3 ARG 24 2HG ARG 24 10.122 7.615 2.068
136 HD2 ARG 24 1HD ARG 24 10.688 9.486 3.241
137 HD3 ARG 24 2HD ARG 24 11.626 8.587 4.433
138 HE ARG 24 HE ARG 24 12.569 9.660 1.915
139 HH11 ARG 24 1HH1 ARG 24 13.160 7.476 4.562
140 HH12 ARG 24 2HH1 ARG 24 14.871 7.407 4.294
141 HH21 ARG 24 1HH2 ARG 24 14.819 9.577 1.552
142 HH22 ARG 24 2HH2 ARG 24 15.813 8.603 2.582
143 H LYS 25 H LYS 25 9.902 4.799 6.224
144 HA LYS 25 HA LYS 25 7.773 2.968 6.441
145 HB2 LYS 25 1HB LYS 25 9.388 3.098 8.206
146 HB3 LYS 25 2HB LYS 25 9.058 4.806 8.462
147 HG2 LYS 25 1HG LYS 25 8.031 3.597 10.229
148 HG3 LYS 25 2HG LYS 25 6.747 4.177 9.165
149 HD2 LYS 25 1HD LYS 25 6.282 2.067 8.356
150 HD3 LYS 25 2HD LYS 25 7.896 1.456 8.726
151 HE2 LYS 25 1HE LYS 25 7.406 1.195 10.992
152 HE3 LYS 25 2HE LYS 25 6.016 2.277 10.912
153 HZ1 LYS 25 3HZ LYS 25 6.211 -0.548 10.235
154 HZ2 LYS 25 1HZ LYS 25 5.227 0.396 9.233
155 HZ3 LYS 25 2HZ LYS 25 4.918 0.322 10.894
156 H TYR 26 H TYR 26 7.895 6.456 7.163
157 HA TYR 26 HA TYR 26 5.250 6.815 7.897
158 HB2 TYR 26 1HB TYR 26 5.701 9.050 7.844
159 HB3 TYR 26 2HB TYR 26 7.356 8.464 7.714
160 HD1 TYR 26 HD1 TYR 26 8.430 8.347 5.440
161 HD2 TYR 26 HD2 TYR 26 4.719 10.318 6.110
162 HE1 TYR 26 HE1 TYR 26 8.700 9.564 3.319
163 HE2 TYR 26 HE2 TYR 26 4.979 11.539 3.991
164 HH TYR 26 HH TYR 26 6.145 11.612 2.038
165 H GLN 27 H GLN 27 6.693 6.837 4.667
166 HA GLN 27 HA GLN 27 4.556 7.702 3.158
167 HB2 GLN 27 1HB GLN 27 6.653 5.624 2.535
168 HB3 GLN 27 2HB GLN 27 5.505 6.215 1.341
169 HG2 GLN 27 1HG GLN 27 6.416 8.557 2.083
170 HG3 GLN 27 2HG GLN 27 7.802 7.607 2.617
171 HE21 GLN 27 1HE2 GLN 27 8.745 9.096 0.927
172 HE22 GLN 27 2HE2 GLN 27 8.801 8.493 -0.691
173 H LEU 28 H LEU 28 4.979 4.673 4.798
174 HA LEU 28 HA LEU 28 2.772 3.405 3.402
175 HB2 LEU 28 1HB LEU 28 4.413 1.859 3.899
176 HB3 LEU 28 2HB LEU 28 4.741 2.563 5.481
177 HG LEU 28 HG LEU 28 2.820 1.532 6.430
178 HD11 LEU 28 1HD1 LEU 28 1.955 1.379 3.647
179 HD12 LEU 28 2HD1 LEU 28 1.005 1.451 5.131
180 HD13 LEU 28 3HD1 LEU 28 1.646 -0.093 4.569
181 HD21 LEU 28 3HD2 LEU 28 3.901 -0.396 6.618
182 HD22 LEU 28 1HD2 LEU 28 4.911 0.071 5.250
183 HD23 LEU 28 2HD2 LEU 28 3.437 -0.860 4.981
184 H ILE 29 H ILE 29 3.507 4.572 6.673
185 HA ILE 29 HA ILE 29 1.162 3.871 7.957
186 HB ILE 29 HB ILE 29 3.019 6.199 8.339
187 HG12 ILE 29 1HG1 ILE 29 3.305 4.930 10.564
188 HG13 ILE 29 2HG1 ILE 29 2.436 3.617 9.776
189 HG21 ILE 29 1HG2 ILE 29 1.559 6.168 10.634
190 HG22 ILE 29 2HG2 ILE 29 1.328 7.307 9.308
191 HG23 ILE 29 3HG2 ILE 29 0.317 5.866 9.419
192 HD11 ILE 29 3HD1 ILE 29 4.138 3.306 8.191
193 HD12 ILE 29 1HD1 ILE 29 4.905 4.842 8.596
194 HD13 ILE 29 2HD1 ILE 29 4.957 3.500 9.740
195 H SER 30 H SER 30 1.856 6.845 6.136
196 HA SER 30 HA SER 30 -0.541 8.173 6.542
197 HB2 SER 30 1HB SER 30 1.615 8.925 5.294
198 HB3 SER 30 2HB SER 30 0.828 8.250 3.867
199 HG SER 30 HG SER 30 -0.686 9.954 5.463
200 H HIS 31 H HIS 31 0.203 5.507 4.413
201 HA HIS 31 HA HIS 31 -2.222 5.688 2.893
202 HB2 HIS 31 1HB HIS 31 -0.373 4.647 1.813
203 HB3 HIS 31 2HB HIS 31 -0.110 3.550 3.165
204 HD1 HIS 31 HD1 HIS 31 -2.485 4.150 0.297
205 HD2 HIS 31 HD2 HIS 31 -1.539 1.199 3.065
206 HE1 HIS 31 HE1 HIS 31 -3.752 2.107 -0.440
207 H GLN 32 H GLN 32 -1.064 3.592 5.519
208 HA GLN 32 HA GLN 32 -3.197 1.877 5.761
209 HB2 GLN 32 1HB GLN 32 -1.638 3.107 8.040
210 HB3 GLN 32 2HB GLN 32 -2.573 1.620 8.112
211 HG2 GLN 32 1HG GLN 32 -1.022 0.819 6.216
212 HG3 GLN 32 2HG GLN 32 0.017 2.150 6.721
213 HE21 GLN 32 1HE2 GLN 32 -0.383 -1.030 7.030
214 HE22 GLN 32 2HE2 GLN 32 0.269 -1.284 8.609
215 H ARG 33 H ARG 33 -3.010 5.239 6.639
216 HA ARG 33 HA ARG 33 -5.060 5.517 8.453
217 HB2 ARG 33 1HB ARG 33 -4.513 7.404 6.157
218 HB3 ARG 33 2HB ARG 33 -5.286 7.802 7.685
219 HG2 ARG 33 1HG ARG 33 -2.439 6.865 7.401
220 HG3 ARG 33 2HG ARG 33 -2.939 8.552 7.542
221 HD2 ARG 33 1HD ARG 33 -3.865 6.609 9.599
222 HD3 ARG 33 2HD ARG 33 -2.190 7.157 9.651
223 HE ARG 33 HE ARG 33 -3.517 9.474 9.474
224 HH11 ARG 33 1HH1 ARG 33 -3.983 6.691 11.514
225 HH12 ARG 33 2HH1 ARG 33 -4.636 7.605 12.833
226 HH21 ARG 33 1HH2 ARG 33 -4.374 10.688 11.204
227 HH22 ARG 33 2HH2 ARG 33 -4.858 9.878 12.656
228 H THR 34 H THR 34 -5.248 4.969 5.001
229 HA THR 34 HA THR 34 -7.985 5.591 4.661
230 HB THR 34 HB THR 34 -7.851 4.523 2.536
231 HG1 THR 34 HG1 THR 34 -6.918 2.552 3.105
232 HG21 THR 34 3HG2 THR 34 -5.365 5.245 1.875
233 HG22 THR 34 1HG2 THR 34 -5.471 6.042 3.444
234 HG23 THR 34 2HG2 THR 34 -6.643 6.421 2.181
235 H HIS 35 H HIS 35 -6.288 2.638 5.561
236 HA HIS 35 HA HIS 35 -8.593 0.958 5.425
237 HB2 HIS 35 1HB HIS 35 -5.866 0.636 6.668
238 HB3 HIS 35 2HB HIS 35 -7.112 -0.599 6.819
239 HD1 HIS 35 HD1 HIS 35 -8.068 -1.452 4.375
240 HD2 HIS 35 HD2 HIS 35 -4.327 0.352 4.462
241 HE1 HIS 35 HE1 HIS 35 -6.940 -2.141 2.236
242 H ALA 36 H ALA 36 -6.947 2.722 8.004
243 HA ALA 36 HA ALA 36 -8.122 1.761 10.261
244 HB1 ALA 36 3HB ALA 36 -6.798 4.159 9.515
245 HB2 ALA 36 1HB ALA 36 -8.199 4.585 10.497
246 HB3 ALA 36 2HB ALA 36 -6.991 3.462 11.123
247 H GLY 37 H GLY 37 -10.194 1.203 10.517
248 HA2 GLY 37 1HA GLY 37 -12.228 3.226 10.495
249 HA3 GLY 37 2HA GLY 37 -12.407 2.088 9.168
250 H GLU 38 H GLU 38 -12.456 -0.246 9.788
251 HA GLU 38 HA GLU 38 -14.516 -0.752 11.586
252 HB2 GLU 38 1HB GLU 38 -13.829 -3.146 11.396
253 HB3 GLU 38 2HB GLU 38 -14.024 -2.332 9.850
254 HG2 GLU 38 1HG GLU 38 -11.445 -1.916 10.111
255 HG3 GLU 38 2HG GLU 38 -11.556 -3.313 11.180
256 H LYS 39 H LYS 39 -14.271 -0.011 13.638
257 HA LYS 39 HA LYS 39 -12.080 -1.199 15.213
258 HB2 LYS 39 1HB LYS 39 -13.356 1.517 15.592
259 HB3 LYS 39 2HB LYS 39 -12.133 0.812 16.642
260 HG2 LYS 39 1HG LYS 39 -11.603 1.194 13.723
261 HG3 LYS 39 2HG LYS 39 -11.415 2.527 14.863
262 HD2 LYS 39 1HD LYS 39 -9.675 1.480 15.994
263 HD3 LYS 39 2HD LYS 39 -10.122 -0.120 15.398
264 HE2 LYS 39 1HE LYS 39 -8.222 0.389 14.163
265 HE3 LYS 39 2HE LYS 39 -9.536 0.830 13.073
266 HZ1 LYS 39 3HZ LYS 39 -7.489 2.466 14.155
267 HZ2 LYS 39 1HZ LYS 39 -9.009 3.083 14.572
268 HZ3 LYS 39 2HZ LYS 39 -8.617 2.827 12.947
269 HA PRO 40 HA PRO 40 -15.159 -2.961 17.807
270 HB2 PRO 40 1HB PRO 40 -13.786 -3.112 20.145
271 HB3 PRO 40 2HB PRO 40 -13.461 -4.173 18.769
272 HG2 PRO 40 1HG PRO 40 -12.013 -1.701 19.639
273 HG3 PRO 40 2HG PRO 40 -11.350 -3.246 19.075
274 HD2 PRO 40 1HD PRO 40 -11.538 -1.070 17.475
275 HD3 PRO 40 2HD PRO 40 -11.693 -2.727 16.856
276 H SER 41 H SER 41 -16.141 -2.641 20.070
277 HA SER 41 HA SER 41 -17.288 -0.102 20.222
278 HB2 SER 41 1HB SER 41 -18.157 -0.831 22.427
279 HB3 SER 41 2HB SER 41 -18.368 -2.066 21.186
280 HG SER 41 HG SER 41 -16.079 -2.638 22.170
281 H GLY 42 H GLY 42 -17.016 1.632 21.649
282 HA2 GLY 42 1HA GLY 42 -15.887 2.629 23.553
283 HA3 GLY 42 2HA GLY 42 -14.483 1.646 23.163
284 HA PRO 43 HA PRO 43 -14.817 5.375 20.040
285 HB2 PRO 43 1HB PRO 43 -16.044 7.554 21.098
286 HB3 PRO 43 2HB PRO 43 -16.904 6.328 20.159
287 HG2 PRO 43 1HG PRO 43 -16.727 6.661 23.129
288 HG3 PRO 43 2HG PRO 43 -18.139 6.270 22.129
289 HD2 PRO 43 1HD PRO 43 -16.766 4.388 23.508
290 HD3 PRO 43 2HD PRO 43 -17.560 4.046 21.958
291 H SER 44 H SER 44 -12.610 5.404 20.537
292 HA SER 44 HA SER 44 -11.811 7.554 22.374
293 HB2 SER 44 1HB SER 44 -9.781 6.129 22.938
294 HB3 SER 44 2HB SER 44 -11.315 5.582 23.614
295 HG SER 44 HG SER 44 -10.501 4.592 21.123
296 H SER 45 H SER 45 -12.160 7.774 19.597
297 HA SER 45 HA SER 45 -9.667 7.459 18.232
298 HB2 SER 45 1HB SER 45 -12.022 9.191 17.448
299 HB3 SER 45 2HB SER 45 -10.738 8.611 16.388
300 HG SER 45 HG SER 45 -12.572 7.307 16.181
301 H GLY 46 H GLY 46 -7.957 8.761 18.249
302 HA2 GLY 46 1HA GLY 46 -7.938 11.129 19.853
303 HA3 GLY 46 2HA GLY 46 -6.604 10.515 18.888
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -11.005 -15.260 -10.338
2 HA2 GLY 1 1HA GLY 1 -9.230 -16.293 -11.557
3 HA3 GLY 1 2HA GLY 1 -9.572 -15.217 -12.903
4 H SER 2 H SER 2 -7.264 -15.882 -10.806
5 HA SER 2 HA SER 2 -6.189 -13.180 -10.906
6 HB2 SER 2 1HB SER 2 -5.723 -13.002 -8.574
7 HB3 SER 2 2HB SER 2 -7.421 -13.459 -8.701
8 HG SER 2 HG SER 2 -5.833 -14.650 -7.202
9 H SER 3 H SER 3 -3.890 -13.097 -10.485
10 HA SER 3 HA SER 3 -2.353 -15.456 -10.090
11 HB2 SER 3 1HB SER 3 -3.245 -15.636 -12.514
12 HB3 SER 3 2HB SER 3 -2.097 -14.347 -12.876
13 HG SER 3 HG SER 3 -0.793 -15.997 -13.114
14 H GLY 4 H GLY 4 -0.158 -15.021 -9.809
15 HA2 GLY 4 1HA GLY 4 1.746 -13.539 -10.136
16 HA3 GLY 4 2HA GLY 4 0.623 -12.188 -10.090
17 H SER 5 H SER 5 0.921 -11.028 -8.317
18 HA SER 5 HA SER 5 1.143 -10.450 -6.126
19 HB2 SER 5 1HB SER 5 0.510 -13.339 -5.488
20 HB3 SER 5 2HB SER 5 0.345 -11.950 -4.413
21 HG SER 5 HG SER 5 -1.119 -12.413 -6.802
22 H SER 6 H SER 6 3.440 -11.037 -7.538
23 HA SER 6 HA SER 6 5.291 -11.496 -5.430
24 HB2 SER 6 1HB SER 6 6.318 -13.538 -6.172
25 HB3 SER 6 2HB SER 6 4.591 -13.850 -5.993
26 HG SER 6 HG SER 6 4.374 -13.641 -8.235
27 H GLY 7 H GLY 7 7.369 -10.835 -5.959
28 HA2 GLY 7 1HA GLY 7 8.559 -10.585 -8.411
29 HA3 GLY 7 2HA GLY 7 7.561 -9.146 -8.270
30 H THR 8 H THR 8 9.717 -8.106 -8.456
31 HA THR 8 HA THR 8 11.060 -7.987 -5.834
32 HB THR 8 HB THR 8 13.085 -7.230 -7.023
33 HG1 THR 8 HG1 THR 8 11.537 -7.790 -9.353
34 HG21 THR 8 3HG2 THR 8 12.938 -9.590 -8.544
35 HG22 THR 8 1HG2 THR 8 11.923 -9.856 -7.127
36 HG23 THR 8 2HG2 THR 8 13.613 -9.393 -6.926
37 H GLY 9 H GLY 9 10.523 -6.202 -4.764
38 HA2 GLY 9 1HA GLY 9 10.320 -3.683 -6.292
39 HA3 GLY 9 2HA GLY 9 9.156 -4.091 -5.041
40 H GLU 10 H GLU 10 11.527 -2.060 -5.561
41 HA GLU 10 HA GLU 10 13.181 -2.444 -3.246
42 HB2 GLU 10 1HB GLU 10 13.791 -1.238 -5.440
43 HB3 GLU 10 2HB GLU 10 12.911 0.132 -4.777
44 HG2 GLU 10 1HG GLU 10 15.239 0.419 -4.329
45 HG3 GLU 10 2HG GLU 10 14.406 0.092 -2.810
46 H ASN 11 H ASN 11 10.809 -2.607 -2.163
47 HA ASN 11 HA ASN 11 10.488 -0.057 -0.742
48 HB2 ASN 11 1HB ASN 11 8.173 -1.812 -1.583
49 HB3 ASN 11 2HB ASN 11 8.079 -0.257 -0.762
50 HD21 ASN 11 1HD2 ASN 11 9.086 -1.826 -3.748
51 HD22 ASN 11 2HD2 ASN 11 8.843 -0.451 -4.766
52 HA PRO 12 HA PRO 12 11.203 -3.254 2.405
53 HB2 PRO 12 1HB PRO 12 12.126 -1.504 4.265
54 HB3 PRO 12 2HB PRO 12 13.140 -2.157 2.973
55 HG2 PRO 12 1HG PRO 12 11.749 0.489 3.136
56 HG3 PRO 12 2HG PRO 12 13.390 0.121 2.574
57 HD2 PRO 12 1HD PRO 12 11.328 0.545 0.872
58 HD3 PRO 12 2HD PRO 12 12.660 -0.568 0.499
59 H TYR 13 H TYR 13 9.020 -0.726 2.100
60 HA TYR 13 HA TYR 13 7.669 -1.495 4.604
61 HB2 TYR 13 1HB TYR 13 7.478 1.198 3.244
62 HB3 TYR 13 2HB TYR 13 6.784 0.744 4.796
63 HD1 TYR 13 HD1 TYR 13 8.263 0.379 6.753
64 HD2 TYR 13 HD2 TYR 13 9.766 1.854 3.056
65 HE1 TYR 13 HE1 TYR 13 10.302 1.144 7.895
66 HE2 TYR 13 HE2 TYR 13 11.810 2.623 4.187
67 HH TYR 13 HH TYR 13 12.238 3.293 6.957
68 H GLU 14 H GLU 14 6.167 -2.917 3.935
69 HA GLU 14 HA GLU 14 4.411 -2.100 1.713
70 HB2 GLU 14 1HB GLU 14 5.564 -4.730 2.476
71 HB3 GLU 14 2HB GLU 14 3.921 -4.729 1.851
72 HG2 GLU 14 1HG GLU 14 4.562 -4.099 -0.238
73 HG3 GLU 14 2HG GLU 14 5.976 -3.219 0.339
74 H CYS 15 H CYS 15 2.194 -2.321 1.950
75 HA CYS 15 HA CYS 15 1.223 -2.125 4.641
76 HB2 CYS 15 1HB CYS 15 0.290 -0.788 2.767
77 HB3 CYS 15 2HB CYS 15 -0.339 -2.271 2.054
78 H HIS 16 H HIS 16 0.527 -3.716 5.899
79 HA HIS 16 HA HIS 16 0.325 -6.404 4.843
80 HB2 HIS 16 1HB HIS 16 -0.018 -7.037 7.227
81 HB3 HIS 16 2HB HIS 16 1.460 -6.119 6.959
82 HD1 HIS 16 HD1 HIS 16 1.832 -4.479 8.755
83 HD2 HIS 16 HD2 HIS 16 -2.216 -5.013 7.985
84 HE1 HIS 16 HE1 HIS 16 0.636 -2.955 10.358
85 H GLU 17 H GLU 17 -1.686 -4.300 4.163
86 HA GLU 17 HA GLU 17 -4.083 -5.715 5.133
87 HB2 GLU 17 1HB GLU 17 -3.881 -2.810 4.319
88 HB3 GLU 17 2HB GLU 17 -5.326 -3.626 4.899
89 HG2 GLU 17 1HG GLU 17 -3.973 -4.106 7.017
90 HG3 GLU 17 2HG GLU 17 -2.858 -2.879 6.419
91 H CYS 18 H CYS 18 -2.923 -3.677 2.445
92 HA CYS 18 HA CYS 18 -4.685 -5.181 0.636
93 HB2 CYS 18 1HB CYS 18 -4.438 -3.310 -0.916
94 HB3 CYS 18 2HB CYS 18 -4.995 -2.738 0.653
95 H GLY 19 H GLY 19 -1.364 -3.979 0.972
96 HA2 GLY 19 1HA GLY 19 0.374 -5.671 0.410
97 HA3 GLY 19 2HA GLY 19 -0.551 -5.973 -1.053
98 H LYS 20 H LYS 20 -0.247 -2.727 0.108
99 HA LYS 20 HA LYS 20 1.055 -1.923 -2.321
100 HB2 LYS 20 1HB LYS 20 -0.694 -0.652 -0.806
101 HB3 LYS 20 2HB LYS 20 0.753 -0.086 0.018
102 HG2 LYS 20 1HG LYS 20 1.508 1.081 -1.838
103 HG3 LYS 20 2HG LYS 20 0.504 0.152 -2.953
104 HD2 LYS 20 1HD LYS 20 -0.664 1.959 -0.850
105 HD3 LYS 20 2HD LYS 20 -0.233 2.536 -2.462
106 HE2 LYS 20 1HE LYS 20 -1.948 0.111 -2.198
107 HE3 LYS 20 2HE LYS 20 -2.666 1.699 -1.929
108 HZ1 LYS 20 3HZ LYS 20 -1.792 2.352 -4.136
109 HZ2 LYS 20 1HZ LYS 20 -2.942 1.114 -4.209
110 HZ3 LYS 20 2HZ LYS 20 -1.300 0.754 -4.388
111 H ALA 21 H ALA 21 2.918 -0.259 -2.083
112 HA ALA 21 HA ALA 21 4.841 -1.094 -0.036
113 HB1 ALA 21 3HB ALA 21 4.994 -1.758 -2.843
114 HB2 ALA 21 1HB ALA 21 6.389 -0.807 -2.329
115 HB3 ALA 21 2HB ALA 21 5.992 -2.311 -1.498
116 H PHE 22 H PHE 22 6.391 0.449 0.494
117 HA PHE 22 HA PHE 22 6.278 3.024 -0.893
118 HB2 PHE 22 1HB PHE 22 6.075 2.815 2.115
119 HB3 PHE 22 2HB PHE 22 5.975 4.276 1.138
120 HD1 PHE 22 HD2 PHE 22 4.266 1.022 1.703
121 HD2 PHE 22 HD1 PHE 22 3.911 5.083 0.479
122 HE1 PHE 22 HE2 PHE 22 1.822 0.769 1.586
123 HE2 PHE 22 HE1 PHE 22 1.466 4.837 0.361
124 HZ PHE 22 HZ PHE 22 0.418 2.678 0.913
125 H SER 23 H SER 23 8.098 4.402 -0.467
126 HA SER 23 HA SER 23 10.541 2.955 -0.265
127 HB2 SER 23 1HB SER 23 10.102 5.951 -0.240
128 HB3 SER 23 2HB SER 23 11.626 5.125 -0.564
129 HG SER 23 HG SER 23 9.760 5.773 -2.296
130 H ARG 24 H ARG 24 9.041 5.440 1.800
131 HA ARG 24 HA ARG 24 10.873 4.663 3.961
132 HB2 ARG 24 1HB ARG 24 9.082 7.061 4.091
133 HB3 ARG 24 2HB ARG 24 10.635 6.790 4.871
134 HG2 ARG 24 1HG ARG 24 11.491 6.766 2.376
135 HG3 ARG 24 2HG ARG 24 10.028 7.718 2.119
136 HD2 ARG 24 1HD ARG 24 11.784 9.257 2.541
137 HD3 ARG 24 2HD ARG 24 10.791 9.203 3.997
138 HE ARG 24 HE ARG 24 13.032 7.403 4.053
139 HH11 ARG 24 1HH1 ARG 24 11.944 10.648 4.688
140 HH12 ARG 24 2HH1 ARG 24 13.189 10.978 5.847
141 HH21 ARG 24 1HH2 ARG 24 14.676 7.825 5.577
142 HH22 ARG 24 2HH2 ARG 24 14.743 9.372 6.352
143 H LYS 25 H LYS 25 9.883 4.834 6.202
144 HA LYS 25 HA LYS 25 7.760 2.981 6.410
145 HB2 LYS 25 1HB LYS 25 9.437 3.141 8.149
146 HB3 LYS 25 2HB LYS 25 8.996 4.813 8.472
147 HG2 LYS 25 1HG LYS 25 8.060 3.454 10.187
148 HG3 LYS 25 2HG LYS 25 6.740 4.016 9.159
149 HD2 LYS 25 1HD LYS 25 6.401 1.926 8.229
150 HD3 LYS 25 2HD LYS 25 8.038 1.382 8.601
151 HE2 LYS 25 1HE LYS 25 7.297 1.613 11.068
152 HE3 LYS 25 2HE LYS 25 5.661 1.606 10.411
153 HZ1 LYS 25 3HZ LYS 25 7.301 -0.495 9.352
154 HZ2 LYS 25 1HZ LYS 25 5.757 -0.573 10.041
155 HZ3 LYS 25 2HZ LYS 25 7.127 -0.592 11.032
156 H TYR 26 H TYR 26 7.905 6.468 7.119
157 HA TYR 26 HA TYR 26 5.264 6.830 7.889
158 HB2 TYR 26 1HB TYR 26 5.703 9.075 7.815
159 HB3 TYR 26 2HB TYR 26 7.356 8.473 7.744
160 HD1 TYR 26 HD1 TYR 26 8.567 8.442 5.580
161 HD2 TYR 26 HD2 TYR 26 4.725 10.230 5.969
162 HE1 TYR 26 HE1 TYR 26 8.917 9.643 3.462
163 HE2 TYR 26 HE2 TYR 26 5.065 11.434 3.851
164 HH TYR 26 HH TYR 26 6.945 10.722 1.611
165 H GLN 27 H GLN 27 6.684 6.781 4.660
166 HA GLN 27 HA GLN 27 4.539 7.693 3.165
167 HB2 GLN 27 1HB GLN 27 6.617 5.605 2.506
168 HB3 GLN 27 2HB GLN 27 5.477 6.240 1.327
169 HG2 GLN 27 1HG GLN 27 6.403 8.547 2.022
170 HG3 GLN 27 2HG GLN 27 7.747 7.623 2.690
171 HE21 GLN 27 1HE2 GLN 27 8.920 8.935 1.074
172 HE22 GLN 27 2HE2 GLN 27 9.050 8.315 -0.533
173 H LEU 28 H LEU 28 4.972 4.659 4.789
174 HA LEU 28 HA LEU 28 2.758 3.395 3.399
175 HB2 LEU 28 1HB LEU 28 4.379 1.832 3.874
176 HB3 LEU 28 2HB LEU 28 4.758 2.547 5.440
177 HG LEU 28 HG LEU 28 2.787 1.572 6.419
178 HD11 LEU 28 1HD1 LEU 28 1.036 1.436 5.016
179 HD12 LEU 28 2HD1 LEU 28 1.667 -0.179 4.696
180 HD13 LEU 28 3HD1 LEU 28 2.053 1.150 3.603
181 HD21 LEU 28 3HD2 LEU 28 3.416 -0.913 5.295
182 HD22 LEU 28 1HD2 LEU 28 4.087 -0.195 6.759
183 HD23 LEU 28 2HD2 LEU 28 4.897 0.041 5.210
184 H ILE 29 H ILE 29 3.508 4.588 6.653
185 HA ILE 29 HA ILE 29 1.183 3.866 7.966
186 HB ILE 29 HB ILE 29 3.029 6.205 8.316
187 HG12 ILE 29 1HG1 ILE 29 3.364 4.979 10.536
188 HG13 ILE 29 2HG1 ILE 29 2.432 3.664 9.828
189 HG21 ILE 29 1HG2 ILE 29 1.280 7.307 9.220
190 HG22 ILE 29 2HG2 ILE 29 0.343 5.835 9.471
191 HG23 ILE 29 3HG2 ILE 29 1.620 6.272 10.606
192 HD11 ILE 29 3HD1 ILE 29 4.871 3.345 9.674
193 HD12 ILE 29 1HD1 ILE 29 4.072 3.368 8.102
194 HD13 ILE 29 2HD1 ILE 29 4.966 4.783 8.657
195 H SER 30 H SER 30 1.830 6.847 6.136
196 HA SER 30 HA SER 30 -0.581 8.144 6.552
197 HB2 SER 30 1HB SER 30 1.381 9.154 5.420
198 HB3 SER 30 2HB SER 30 1.055 8.156 4.003
199 HG SER 30 HG SER 30 -1.037 9.711 4.987
200 H HIS 31 H HIS 31 0.182 5.479 4.430
201 HA HIS 31 HA HIS 31 -2.246 5.628 2.914
202 HB2 HIS 31 1HB HIS 31 -0.395 4.593 1.836
203 HB3 HIS 31 2HB HIS 31 -0.115 3.512 3.198
204 HD1 HIS 31 HD1 HIS 31 -2.606 4.090 0.410
205 HD2 HIS 31 HD2 HIS 31 -1.420 1.113 3.054
206 HE1 HIS 31 HE1 HIS 31 -3.829 2.017 -0.320
207 H GLN 32 H GLN 32 -1.067 3.537 5.537
208 HA GLN 32 HA GLN 32 -3.205 1.828 5.793
209 HB2 GLN 32 1HB GLN 32 -1.629 3.036 8.071
210 HB3 GLN 32 2HB GLN 32 -2.548 1.538 8.124
211 HG2 GLN 32 1HG GLN 32 -1.000 0.786 6.205
212 HG3 GLN 32 2HG GLN 32 0.029 2.119 6.728
213 HE21 GLN 32 1HE2 GLN 32 -0.377 -1.076 6.998
214 HE22 GLN 32 2HE2 GLN 32 0.301 -1.349 8.563
215 H ARG 33 H ARG 33 -3.014 5.191 6.622
216 HA ARG 33 HA ARG 33 -5.048 5.456 8.480
217 HB2 ARG 33 1HB ARG 33 -4.493 7.381 6.218
218 HB3 ARG 33 2HB ARG 33 -5.237 7.755 7.767
219 HG2 ARG 33 1HG ARG 33 -2.406 6.794 7.411
220 HG3 ARG 33 2HG ARG 33 -2.887 8.480 7.611
221 HD2 ARG 33 1HD ARG 33 -3.768 6.461 9.622
222 HD3 ARG 33 2HD ARG 33 -2.107 7.051 9.668
223 HE ARG 33 HE ARG 33 -3.920 9.217 9.514
224 HH11 ARG 33 1HH1 ARG 33 -2.715 6.805 11.717
225 HH12 ARG 33 2HH1 ARG 33 -3.000 7.766 13.130
226 HH21 ARG 33 1HH2 ARG 33 -4.300 10.491 11.368
227 HH22 ARG 33 2HH2 ARG 33 -3.902 9.862 12.930
228 H THR 34 H THR 34 -5.242 5.067 4.994
229 HA THR 34 HA THR 34 -7.970 5.692 4.678
230 HB THR 34 HB THR 34 -7.846 4.674 2.526
231 HG1 THR 34 HG1 THR 34 -5.335 3.515 2.998
232 HG21 THR 34 3HG2 THR 34 -5.340 5.398 1.901
233 HG22 THR 34 1HG2 THR 34 -5.480 6.179 3.476
234 HG23 THR 34 2HG2 THR 34 -6.629 6.564 2.195
235 H HIS 35 H HIS 35 -6.309 2.740 5.595
236 HA HIS 35 HA HIS 35 -8.619 1.063 5.374
237 HB2 HIS 35 1HB HIS 35 -5.908 0.705 6.641
238 HB3 HIS 35 2HB HIS 35 -7.163 -0.525 6.762
239 HD1 HIS 35 HD1 HIS 35 -8.124 -1.282 4.267
240 HD2 HIS 35 HD2 HIS 35 -4.327 0.390 4.474
241 HE1 HIS 35 HE1 HIS 35 -6.973 -1.961 2.137
242 H ALA 36 H ALA 36 -7.040 2.845 7.969
243 HA ALA 36 HA ALA 36 -8.462 1.774 10.135
244 HB1 ALA 36 3HB ALA 36 -7.946 4.471 10.727
245 HB2 ALA 36 1HB ALA 36 -6.987 3.061 11.178
246 HB3 ALA 36 2HB ALA 36 -6.630 3.929 9.685
247 H GLY 37 H GLY 37 -10.518 1.953 10.743
248 HA2 GLY 37 1HA GLY 37 -12.134 4.098 10.941
249 HA3 GLY 37 2HA GLY 37 -12.302 3.675 9.243
250 H GLU 38 H GLU 38 -14.546 3.286 9.667
251 HA GLU 38 HA GLU 38 -15.327 1.207 11.485
252 HB2 GLU 38 1HB GLU 38 -16.759 2.877 9.445
253 HB3 GLU 38 2HB GLU 38 -17.555 1.486 10.167
254 HG2 GLU 38 1HG GLU 38 -17.423 2.423 12.338
255 HG3 GLU 38 2HG GLU 38 -16.340 3.701 11.790
256 H LYS 39 H LYS 39 -13.972 -0.511 10.697
257 HA LYS 39 HA LYS 39 -15.283 -2.022 8.577
258 HB2 LYS 39 1HB LYS 39 -12.363 -1.262 8.554
259 HB3 LYS 39 2HB LYS 39 -13.003 -2.610 7.623
260 HG2 LYS 39 1HG LYS 39 -14.418 -1.128 6.359
261 HG3 LYS 39 2HG LYS 39 -13.929 0.243 7.359
262 HD2 LYS 39 1HD LYS 39 -12.590 0.488 5.484
263 HD3 LYS 39 2HD LYS 39 -11.529 -0.379 6.597
264 HE2 LYS 39 1HE LYS 39 -11.817 -2.409 5.465
265 HE3 LYS 39 2HE LYS 39 -13.255 -1.836 4.621
266 HZ1 LYS 39 3HZ LYS 39 -10.475 -1.537 3.925
267 HZ2 LYS 39 1HZ LYS 39 -11.365 -0.103 3.796
268 HZ3 LYS 39 2HZ LYS 39 -11.850 -1.479 2.941
269 HA PRO 40 HA PRO 40 -14.586 -5.393 11.309
270 HB2 PRO 40 1HB PRO 40 -14.600 -7.455 9.544
271 HB3 PRO 40 2HB PRO 40 -16.062 -6.578 10.007
272 HG2 PRO 40 1HG PRO 40 -14.360 -6.267 7.564
273 HG3 PRO 40 2HG PRO 40 -16.128 -6.288 7.701
274 HD2 PRO 40 1HD PRO 40 -14.712 -3.992 7.459
275 HD3 PRO 40 2HD PRO 40 -16.226 -4.087 8.380
276 H SER 41 H SER 41 -12.396 -4.708 11.848
277 HA SER 41 HA SER 41 -10.336 -6.333 10.504
278 HB2 SER 41 1HB SER 41 -10.040 -3.675 11.924
279 HB3 SER 41 2HB SER 41 -8.699 -4.630 11.290
280 HG SER 41 HG SER 41 -9.378 -4.247 9.247
281 H GLY 42 H GLY 42 -8.348 -6.554 12.108
282 HA2 GLY 42 1HA GLY 42 -9.356 -7.224 14.793
283 HA3 GLY 42 2HA GLY 42 -8.502 -8.439 13.854
284 HA PRO 43 HA PRO 43 -5.499 -6.008 16.505
285 HB2 PRO 43 1HB PRO 43 -4.496 -8.155 17.831
286 HB3 PRO 43 2HB PRO 43 -5.908 -7.252 18.393
287 HG2 PRO 43 1HG PRO 43 -5.788 -9.832 16.879
288 HG3 PRO 43 2HG PRO 43 -6.821 -9.386 18.250
289 HD2 PRO 43 1HD PRO 43 -7.706 -9.364 15.691
290 HD3 PRO 43 2HD PRO 43 -8.304 -8.229 16.918
291 H SER 44 H SER 44 -3.566 -5.590 15.643
292 HA SER 44 HA SER 44 -2.518 -7.187 13.524
293 HB2 SER 44 1HB SER 44 -2.283 -4.723 13.583
294 HB3 SER 44 2HB SER 44 -1.228 -4.870 14.988
295 HG SER 44 HG SER 44 0.178 -6.136 13.644
296 H SER 45 H SER 45 -1.399 -8.991 13.774
297 HA SER 45 HA SER 45 0.201 -9.342 16.219
298 HB2 SER 45 1HB SER 45 -1.713 -10.978 15.566
299 HB3 SER 45 2HB SER 45 -0.565 -11.591 14.376
300 HG SER 45 HG SER 45 0.851 -11.538 16.477
301 H GLY 46 H GLY 46 2.247 -8.758 15.840
302 HA2 GLY 46 1HA GLY 46 3.481 -8.866 13.279
303 HA3 GLY 46 2HA GLY 46 4.291 -8.547 14.806
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -1.415 -13.730 -20.272
2 HA2 GLY 1 1HA GLY 1 -2.366 -11.729 -21.291
3 HA3 GLY 1 2HA GLY 1 -3.594 -11.751 -20.034
4 H SER 2 H SER 2 -0.090 -11.430 -20.513
5 HA SER 2 HA SER 2 0.243 -10.139 -17.952
6 HB2 SER 2 1HB SER 2 1.961 -11.649 -19.106
7 HB3 SER 2 2HB SER 2 2.302 -10.272 -20.153
8 HG SER 2 HG SER 2 3.088 -9.157 -18.458
9 H SER 3 H SER 3 -0.452 -8.120 -17.709
10 HA SER 3 HA SER 3 -0.593 -6.284 -19.928
11 HB2 SER 3 1HB SER 3 -1.226 -5.953 -16.988
12 HB3 SER 3 2HB SER 3 -1.478 -4.697 -18.199
13 HG SER 3 HG SER 3 -2.787 -6.368 -19.310
14 H GLY 4 H GLY 4 1.103 -6.304 -16.787
15 HA2 GLY 4 1HA GLY 4 3.605 -5.637 -17.509
16 HA3 GLY 4 2HA GLY 4 2.780 -4.089 -17.617
17 H SER 5 H SER 5 4.643 -3.828 -15.944
18 HA SER 5 HA SER 5 4.111 -4.821 -13.305
19 HB2 SER 5 1HB SER 5 5.950 -3.226 -12.650
20 HB3 SER 5 2HB SER 5 6.403 -4.398 -13.888
21 HG SER 5 HG SER 5 6.479 -2.842 -15.365
22 H SER 6 H SER 6 3.805 -3.372 -11.434
23 HA SER 6 HA SER 6 2.074 -1.085 -12.115
24 HB2 SER 6 1HB SER 6 1.738 -3.220 -10.018
25 HB3 SER 6 2HB SER 6 0.939 -1.656 -9.866
26 HG SER 6 HG SER 6 0.658 -3.526 -11.982
27 H GLY 7 H GLY 7 4.815 -0.776 -11.751
28 HA2 GLY 7 1HA GLY 7 5.435 1.337 -10.470
29 HA3 GLY 7 2HA GLY 7 5.014 0.393 -9.049
30 H THR 8 H THR 8 7.073 0.545 -8.159
31 HA THR 8 HA THR 8 9.103 -1.101 -9.518
32 HB THR 8 HB THR 8 10.854 0.358 -8.481
33 HG1 THR 8 HG1 THR 8 8.548 1.694 -7.633
34 HG21 THR 8 3HG2 THR 8 9.930 0.573 -10.867
35 HG22 THR 8 1HG2 THR 8 10.846 1.932 -10.220
36 HG23 THR 8 2HG2 THR 8 9.085 2.001 -10.271
37 H GLY 9 H GLY 9 10.877 -1.758 -7.896
38 HA2 GLY 9 1HA GLY 9 9.501 -2.870 -5.563
39 HA3 GLY 9 2HA GLY 9 11.033 -3.424 -6.223
40 H GLU 10 H GLU 10 12.432 -3.254 -4.581
41 HA GLU 10 HA GLU 10 13.587 -2.393 -2.805
42 HB2 GLU 10 1HB GLU 10 13.351 0.129 -4.456
43 HB3 GLU 10 2HB GLU 10 14.546 -0.178 -3.204
44 HG2 GLU 10 1HG GLU 10 14.306 -1.933 -5.621
45 HG3 GLU 10 2HG GLU 10 15.269 -0.456 -5.629
46 H ASN 11 H ASN 11 10.891 -2.539 -2.235
47 HA ASN 11 HA ASN 11 10.417 -0.068 -0.700
48 HB2 ASN 11 1HB ASN 11 8.526 -1.930 -2.101
49 HB3 ASN 11 2HB ASN 11 7.970 -0.988 -0.721
50 HD21 ASN 11 1HD2 ASN 11 8.727 -0.976 -4.036
51 HD22 ASN 11 2HD2 ASN 11 8.418 0.696 -4.341
52 HA PRO 12 HA PRO 12 11.237 -3.231 2.491
53 HB2 PRO 12 1HB PRO 12 12.148 -1.442 4.319
54 HB3 PRO 12 2HB PRO 12 13.168 -2.115 3.042
55 HG2 PRO 12 1HG PRO 12 11.765 0.527 3.150
56 HG3 PRO 12 2HG PRO 12 13.409 0.155 2.599
57 HD2 PRO 12 1HD PRO 12 11.349 0.537 0.884
58 HD3 PRO 12 2HD PRO 12 12.687 -0.577 0.536
59 H TYR 13 H TYR 13 9.048 -0.713 2.136
60 HA TYR 13 HA TYR 13 7.681 -1.459 4.638
61 HB2 TYR 13 1HB TYR 13 7.515 1.237 3.281
62 HB3 TYR 13 2HB TYR 13 6.820 0.785 4.834
63 HD1 TYR 13 HD1 TYR 13 8.329 0.350 6.775
64 HD2 TYR 13 HD2 TYR 13 9.778 1.936 3.102
65 HE1 TYR 13 HE1 TYR 13 10.375 1.100 7.914
66 HE2 TYR 13 HE2 TYR 13 11.830 2.690 4.231
67 HH TYR 13 HH TYR 13 12.264 2.272 7.725
68 H GLU 14 H GLU 14 6.176 -2.871 3.949
69 HA GLU 14 HA GLU 14 4.438 -2.029 1.723
70 HB2 GLU 14 1HB GLU 14 5.570 -4.673 2.474
71 HB3 GLU 14 2HB GLU 14 3.933 -4.655 1.834
72 HG2 GLU 14 1HG GLU 14 4.597 -4.014 -0.244
73 HG3 GLU 14 2HG GLU 14 6.009 -3.145 0.353
74 H CYS 15 H CYS 15 2.206 -2.327 1.927
75 HA CYS 15 HA CYS 15 1.240 -2.182 4.645
76 HB2 CYS 15 1HB CYS 15 0.420 -0.757 2.688
77 HB3 CYS 15 2HB CYS 15 -0.446 -2.191 2.145
78 H HIS 16 H HIS 16 0.898 -3.984 5.758
79 HA HIS 16 HA HIS 16 0.482 -6.525 4.540
80 HB2 HIS 16 1HB HIS 16 0.251 -7.369 6.807
81 HB3 HIS 16 2HB HIS 16 1.599 -6.239 6.733
82 HD1 HIS 16 HD1 HIS 16 0.124 -6.916 9.387
83 HD2 HIS 16 HD2 HIS 16 -0.690 -3.623 6.988
84 HE1 HIS 16 HE1 HIS 16 -0.948 -5.225 10.908
85 H GLU 17 H GLU 17 -1.565 -3.963 4.914
86 HA GLU 17 HA GLU 17 -3.958 -5.439 5.582
87 HB2 GLU 17 1HB GLU 17 -3.608 -2.600 4.604
88 HB3 GLU 17 2HB GLU 17 -5.113 -3.295 5.189
89 HG2 GLU 17 1HG GLU 17 -3.704 -3.796 7.331
90 HG3 GLU 17 2HG GLU 17 -2.673 -2.512 6.702
91 H CYS 18 H CYS 18 -2.715 -3.742 2.710
92 HA CYS 18 HA CYS 18 -4.591 -5.321 1.075
93 HB2 CYS 18 1HB CYS 18 -4.396 -3.510 -0.609
94 HB3 CYS 18 2HB CYS 18 -5.071 -2.949 0.917
95 H GLY 19 H GLY 19 -1.317 -3.954 1.183
96 HA2 GLY 19 1HA GLY 19 0.439 -5.664 0.624
97 HA3 GLY 19 2HA GLY 19 -0.514 -5.974 -0.820
98 H LYS 20 H LYS 20 -0.285 -2.721 0.298
99 HA LYS 20 HA LYS 20 0.938 -1.876 -2.140
100 HB2 LYS 20 1HB LYS 20 -0.746 -0.569 -0.762
101 HB3 LYS 20 2HB LYS 20 0.566 -0.220 0.356
102 HG2 LYS 20 1HG LYS 20 1.671 1.135 -1.155
103 HG3 LYS 20 2HG LYS 20 0.864 0.412 -2.548
104 HD2 LYS 20 1HD LYS 20 -0.784 1.850 -0.524
105 HD3 LYS 20 2HD LYS 20 0.179 2.797 -1.661
106 HE2 LYS 20 1HE LYS 20 -2.046 2.483 -2.546
107 HE3 LYS 20 2HE LYS 20 -0.888 1.584 -3.525
108 HZ1 LYS 20 3HZ LYS 20 -2.955 0.348 -2.992
109 HZ2 LYS 20 1HZ LYS 20 -2.510 0.367 -1.359
110 HZ3 LYS 20 2HZ LYS 20 -1.545 -0.440 -2.490
111 H ALA 21 H ALA 21 2.822 -0.245 -1.996
112 HA ALA 21 HA ALA 21 4.845 -1.101 -0.057
113 HB1 ALA 21 3HB ALA 21 5.710 -2.419 -1.669
114 HB2 ALA 21 1HB ALA 21 4.918 -1.530 -2.971
115 HB3 ALA 21 2HB ALA 21 6.399 -0.902 -2.247
116 H PHE 22 H PHE 22 6.376 0.444 0.457
117 HA PHE 22 HA PHE 22 6.265 3.014 -0.935
118 HB2 PHE 22 1HB PHE 22 6.084 2.829 2.075
119 HB3 PHE 22 2HB PHE 22 5.970 4.280 1.085
120 HD1 PHE 22 HD2 PHE 22 4.278 1.014 1.653
121 HD2 PHE 22 HD1 PHE 22 3.894 5.089 0.487
122 HE1 PHE 22 HE2 PHE 22 1.833 0.754 1.564
123 HE2 PHE 22 HE1 PHE 22 1.448 4.836 0.397
124 HZ PHE 22 HZ PHE 22 0.415 2.666 0.934
125 H SER 23 H SER 23 8.072 4.434 -0.393
126 HA SER 23 HA SER 23 10.518 2.949 -0.218
127 HB2 SER 23 1HB SER 23 9.929 5.173 -1.537
128 HB3 SER 23 2HB SER 23 10.486 5.932 -0.046
129 HG SER 23 HG SER 23 12.062 5.376 -1.849
130 H ARG 24 H ARG 24 9.003 5.472 1.786
131 HA ARG 24 HA ARG 24 10.848 4.775 3.962
132 HB2 ARG 24 1HB ARG 24 8.989 7.133 3.999
133 HB3 ARG 24 2HB ARG 24 10.506 6.909 4.860
134 HG2 ARG 24 1HG ARG 24 11.454 6.834 2.380
135 HG3 ARG 24 2HG ARG 24 10.011 7.806 2.085
136 HD2 ARG 24 1HD ARG 24 10.767 9.558 3.336
137 HD3 ARG 24 2HD ARG 24 11.712 8.525 4.408
138 HE ARG 24 HE ARG 24 12.935 8.389 1.939
139 HH11 ARG 24 1HH1 ARG 24 12.182 10.859 4.274
140 HH12 ARG 24 2HH1 ARG 24 13.542 11.848 3.860
141 HH21 ARG 24 1HH2 ARG 24 14.729 9.683 1.384
142 HH22 ARG 24 2HH2 ARG 24 14.990 11.179 2.215
143 H LYS 25 H LYS 25 9.935 4.780 6.176
144 HA LYS 25 HA LYS 25 7.821 2.945 6.406
145 HB2 LYS 25 1HB LYS 25 9.542 3.139 8.115
146 HB3 LYS 25 2HB LYS 25 9.032 4.782 8.480
147 HG2 LYS 25 1HG LYS 25 8.073 3.554 10.183
148 HG3 LYS 25 2HG LYS 25 6.749 3.708 9.025
149 HD2 LYS 25 1HD LYS 25 7.174 1.482 8.184
150 HD3 LYS 25 2HD LYS 25 8.597 1.329 9.218
151 HE2 LYS 25 1HE LYS 25 5.770 1.699 10.203
152 HE3 LYS 25 2HE LYS 25 6.611 0.153 10.110
153 HZ1 LYS 25 3HZ LYS 25 8.174 2.066 11.504
154 HZ2 LYS 25 1HZ LYS 25 7.610 0.561 12.030
155 HZ3 LYS 25 2HZ LYS 25 6.643 1.936 12.210
156 H TYR 26 H TYR 26 7.929 6.438 7.073
157 HA TYR 26 HA TYR 26 5.285 6.745 7.905
158 HB2 TYR 26 1HB TYR 26 5.703 8.991 7.882
159 HB3 TYR 26 2HB TYR 26 7.363 8.418 7.758
160 HD1 TYR 26 HD1 TYR 26 8.499 8.413 5.538
161 HD2 TYR 26 HD2 TYR 26 4.688 10.214 6.115
162 HE1 TYR 26 HE1 TYR 26 8.781 9.667 3.441
163 HE2 TYR 26 HE2 TYR 26 4.959 11.472 4.019
164 HH TYR 26 HH TYR 26 6.657 10.851 1.706
165 H GLN 27 H GLN 27 6.691 6.812 4.664
166 HA GLN 27 HA GLN 27 4.536 7.710 3.192
167 HB2 GLN 27 1HB GLN 27 6.675 5.692 2.536
168 HB3 GLN 27 2HB GLN 27 5.473 6.196 1.355
169 HG2 GLN 27 1HG GLN 27 6.259 8.591 1.947
170 HG3 GLN 27 2HG GLN 27 7.681 7.775 2.596
171 HE21 GLN 27 1HE2 GLN 27 8.519 9.266 0.806
172 HE22 GLN 27 2HE2 GLN 27 8.708 8.538 -0.749
173 H LEU 28 H LEU 28 4.973 4.666 4.791
174 HA LEU 28 HA LEU 28 2.764 3.407 3.387
175 HB2 LEU 28 1HB LEU 28 4.395 1.848 3.852
176 HB3 LEU 28 2HB LEU 28 4.760 2.547 5.428
177 HG LEU 28 HG LEU 28 2.816 1.539 6.398
178 HD11 LEU 28 1HD1 LEU 28 1.723 -0.156 4.526
179 HD12 LEU 28 2HD1 LEU 28 1.975 1.336 3.622
180 HD13 LEU 28 3HD1 LEU 28 1.014 1.353 5.101
181 HD21 LEU 28 3HD2 LEU 28 4.544 -0.252 4.731
182 HD22 LEU 28 1HD2 LEU 28 3.267 -0.918 5.749
183 HD23 LEU 28 2HD2 LEU 28 4.572 0.021 6.474
184 H ILE 29 H ILE 29 3.503 4.621 6.631
185 HA ILE 29 HA ILE 29 1.188 3.868 7.952
186 HB ILE 29 HB ILE 29 3.023 6.216 8.298
187 HG12 ILE 29 1HG1 ILE 29 3.310 4.993 10.545
188 HG13 ILE 29 2HG1 ILE 29 2.431 3.667 9.791
189 HG21 ILE 29 1HG2 ILE 29 1.283 7.330 9.197
190 HG22 ILE 29 2HG2 ILE 29 0.327 5.866 9.426
191 HG23 ILE 29 3HG2 ILE 29 1.591 6.284 10.583
192 HD11 ILE 29 3HD1 ILE 29 4.895 3.431 9.720
193 HD12 ILE 29 1HD1 ILE 29 4.129 3.405 8.132
194 HD13 ILE 29 2HD1 ILE 29 4.960 4.859 8.687
195 H SER 30 H SER 30 1.807 6.863 6.134
196 HA SER 30 HA SER 30 -0.610 8.141 6.546
197 HB2 SER 30 1HB SER 30 1.543 8.874 5.231
198 HB3 SER 30 2HB SER 30 0.667 8.244 3.835
199 HG SER 30 HG SER 30 -1.101 9.648 4.567
200 H HIS 31 H HIS 31 0.169 5.504 4.378
201 HA HIS 31 HA HIS 31 -2.281 5.620 2.905
202 HB2 HIS 31 1HB HIS 31 -0.421 4.609 1.813
203 HB3 HIS 31 2HB HIS 31 -0.133 3.517 3.164
204 HD1 HIS 31 HD1 HIS 31 -2.648 4.116 0.400
205 HD2 HIS 31 HD2 HIS 31 -1.418 1.111 2.991
206 HE1 HIS 31 HE1 HIS 31 -3.864 2.045 -0.348
207 H GLN 32 H GLN 32 -1.060 3.580 5.543
208 HA GLN 32 HA GLN 32 -3.149 1.816 5.817
209 HB2 GLN 32 1HB GLN 32 -1.596 3.109 8.065
210 HB3 GLN 32 2HB GLN 32 -2.508 1.609 8.173
211 HG2 GLN 32 1HG GLN 32 -0.966 0.788 6.285
212 HG3 GLN 32 2HG GLN 32 0.056 2.153 6.733
213 HE21 GLN 32 1HE2 GLN 32 -0.536 -1.048 7.258
214 HE22 GLN 32 2HE2 GLN 32 0.247 -1.235 8.786
215 H ARG 33 H ARG 33 -3.021 5.187 6.696
216 HA ARG 33 HA ARG 33 -5.118 5.385 8.490
217 HB2 ARG 33 1HB ARG 33 -4.501 7.370 6.296
218 HB3 ARG 33 2HB ARG 33 -5.313 7.700 7.821
219 HG2 ARG 33 1HG ARG 33 -2.462 6.768 7.572
220 HG3 ARG 33 2HG ARG 33 -2.960 8.449 7.767
221 HD2 ARG 33 1HD ARG 33 -3.975 6.456 9.721
222 HD3 ARG 33 2HD ARG 33 -2.281 6.931 9.832
223 HE ARG 33 HE ARG 33 -4.593 8.558 10.432
224 HH11 ARG 33 1HH1 ARG 33 -1.189 8.500 9.704
225 HH12 ARG 33 2HH1 ARG 33 -0.877 10.047 10.418
226 HH21 ARG 33 1HH2 ARG 33 -4.195 10.596 11.375
227 HH22 ARG 33 2HH2 ARG 33 -2.587 11.238 11.369
228 H THR 34 H THR 34 -5.190 5.033 5.001
229 HA THR 34 HA THR 34 -7.910 5.659 4.598
230 HB THR 34 HB THR 34 -7.706 4.679 2.436
231 HG1 THR 34 HG1 THR 34 -5.960 3.011 3.723
232 HG21 THR 34 3HG2 THR 34 -6.489 6.585 2.194
233 HG22 THR 34 1HG2 THR 34 -5.193 5.427 1.898
234 HG23 THR 34 2HG2 THR 34 -5.369 6.165 3.490
235 H HIS 35 H HIS 35 -6.330 2.856 5.850
236 HA HIS 35 HA HIS 35 -8.563 1.081 5.397
237 HB2 HIS 35 1HB HIS 35 -5.913 0.829 6.789
238 HB3 HIS 35 2HB HIS 35 -7.156 -0.399 7.007
239 HD1 HIS 35 HD1 HIS 35 -8.056 -1.447 4.623
240 HD2 HIS 35 HD2 HIS 35 -4.334 0.399 4.633
241 HE1 HIS 35 HE1 HIS 35 -6.884 -2.285 2.562
242 H ALA 36 H ALA 36 -7.170 2.871 8.107
243 HA ALA 36 HA ALA 36 -8.546 1.898 10.248
244 HB1 ALA 36 3HB ALA 36 -8.637 4.713 10.506
245 HB2 ALA 36 1HB ALA 36 -7.475 3.585 11.206
246 HB3 ALA 36 2HB ALA 36 -7.163 4.306 9.626
247 H GLY 37 H GLY 37 -10.585 1.947 11.035
248 HA2 GLY 37 1HA GLY 37 -12.578 3.797 10.510
249 HA3 GLY 37 2HA GLY 37 -12.726 2.564 9.266
250 H GLU 38 H GLU 38 -12.464 0.233 10.343
251 HA GLU 38 HA GLU 38 -13.617 -0.051 12.943
252 HB2 GLU 38 1HB GLU 38 -15.752 -0.944 12.356
253 HB3 GLU 38 2HB GLU 38 -15.595 0.606 11.541
254 HG2 GLU 38 1HG GLU 38 -14.909 -0.634 9.486
255 HG3 GLU 38 2HG GLU 38 -15.307 -2.130 10.329
256 H LYS 39 H LYS 39 -14.328 -2.457 13.241
257 HA LYS 39 HA LYS 39 -12.093 -4.070 12.796
258 HB2 LYS 39 1HB LYS 39 -13.359 -5.862 13.734
259 HB3 LYS 39 2HB LYS 39 -13.852 -4.393 14.565
260 HG2 LYS 39 1HG LYS 39 -15.820 -4.282 13.030
261 HG3 LYS 39 2HG LYS 39 -15.356 -5.872 12.420
262 HD2 LYS 39 1HD LYS 39 -15.876 -6.930 14.406
263 HD3 LYS 39 2HD LYS 39 -15.680 -5.459 15.361
264 HE2 LYS 39 1HE LYS 39 -18.018 -6.014 15.249
265 HE3 LYS 39 2HE LYS 39 -17.730 -4.555 14.302
266 HZ1 LYS 39 3HZ LYS 39 -17.980 -7.296 13.185
267 HZ2 LYS 39 1HZ LYS 39 -17.762 -5.874 12.294
268 HZ3 LYS 39 2HZ LYS 39 -19.194 -6.118 13.161
269 HA PRO 40 HA PRO 40 -12.557 -5.579 8.693
270 HB2 PRO 40 1HB PRO 40 -11.293 -7.971 8.928
271 HB3 PRO 40 2HB PRO 40 -10.432 -6.427 8.914
272 HG2 PRO 40 1HG PRO 40 -11.216 -8.138 11.242
273 HG3 PRO 40 2HG PRO 40 -9.689 -7.288 10.943
274 HD2 PRO 40 1HD PRO 40 -11.593 -6.321 12.607
275 HD3 PRO 40 2HD PRO 40 -10.532 -5.264 11.655
276 H SER 41 H SER 41 -13.343 -7.507 7.459
277 HA SER 41 HA SER 41 -15.852 -8.373 8.542
278 HB2 SER 41 1HB SER 41 -16.206 -9.424 6.375
279 HB3 SER 41 2HB SER 41 -15.546 -7.806 6.141
280 HG SER 41 HG SER 41 -13.670 -8.641 5.489
281 H GLY 42 H GLY 42 -15.877 -9.915 10.053
282 HA2 GLY 42 1HA GLY 42 -14.210 -12.313 9.589
283 HA3 GLY 42 2HA GLY 42 -14.536 -11.670 11.192
284 HA PRO 43 HA PRO 43 -17.580 -15.062 10.325
285 HB2 PRO 43 1HB PRO 43 -17.249 -16.294 12.721
286 HB3 PRO 43 2HB PRO 43 -16.231 -16.635 11.317
287 HG2 PRO 43 1HG PRO 43 -15.682 -14.869 13.671
288 HG3 PRO 43 2HG PRO 43 -14.603 -16.017 12.859
289 HD2 PRO 43 1HD PRO 43 -14.495 -13.349 12.410
290 HD3 PRO 43 2HD PRO 43 -14.114 -14.545 11.154
291 H SER 44 H SER 44 -19.570 -15.546 11.484
292 HA SER 44 HA SER 44 -20.516 -13.211 12.966
293 HB2 SER 44 1HB SER 44 -22.044 -15.512 11.726
294 HB3 SER 44 2HB SER 44 -22.776 -14.118 12.520
295 HG SER 44 HG SER 44 -22.552 -14.045 10.144
296 H SER 45 H SER 45 -21.018 -13.251 15.068
297 HA SER 45 HA SER 45 -20.521 -15.700 16.552
298 HB2 SER 45 1HB SER 45 -20.827 -12.808 17.281
299 HB3 SER 45 2HB SER 45 -21.014 -14.043 18.525
300 HG SER 45 HG SER 45 -18.816 -14.447 16.962
301 H GLY 46 H GLY 46 -22.076 -17.044 17.165
302 HA2 GLY 46 1HA GLY 46 -24.503 -16.319 18.330
303 HA3 GLY 46 2HA GLY 46 -24.810 -16.568 16.617
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -4.583 -21.917 -8.271
2 HA2 GLY 1 1HA GLY 1 -2.667 -23.798 -7.396
3 HA3 GLY 1 2HA GLY 1 -3.458 -24.410 -8.841
4 H SER 2 H SER 2 -0.820 -22.800 -7.796
5 HA SER 2 HA SER 2 0.019 -22.052 -10.383
6 HB2 SER 2 1HB SER 2 -1.515 -20.180 -10.111
7 HB3 SER 2 2HB SER 2 -0.784 -19.773 -8.558
8 HG SER 2 HG SER 2 0.582 -19.768 -11.047
9 H SER 3 H SER 3 2.200 -21.410 -10.446
10 HA SER 3 HA SER 3 3.600 -21.533 -7.856
11 HB2 SER 3 1HB SER 3 5.466 -22.677 -9.068
12 HB3 SER 3 2HB SER 3 3.980 -23.624 -9.010
13 HG SER 3 HG SER 3 5.299 -23.131 -11.130
14 H GLY 4 H GLY 4 5.216 -20.081 -7.504
15 HA2 GLY 4 1HA GLY 4 6.736 -18.702 -9.348
16 HA3 GLY 4 2HA GLY 4 5.275 -17.745 -9.144
17 H SER 5 H SER 5 7.790 -16.757 -8.501
18 HA SER 5 HA SER 5 7.373 -16.080 -5.729
19 HB2 SER 5 1HB SER 5 9.776 -17.673 -6.611
20 HB3 SER 5 2HB SER 5 9.818 -16.645 -5.178
21 HG SER 5 HG SER 5 7.665 -18.383 -5.387
22 H SER 6 H SER 6 8.204 -14.102 -5.211
23 HA SER 6 HA SER 6 10.120 -12.827 -6.995
24 HB2 SER 6 1HB SER 6 7.263 -11.970 -6.685
25 HB3 SER 6 2HB SER 6 8.511 -10.756 -6.963
26 HG SER 6 HG SER 6 7.321 -12.085 -8.794
27 H GLY 7 H GLY 7 10.484 -10.457 -6.144
28 HA2 GLY 7 1HA GLY 7 10.023 -9.968 -3.376
29 HA3 GLY 7 2HA GLY 7 11.641 -10.603 -3.638
30 H THR 8 H THR 8 10.463 -7.897 -2.832
31 HA THR 8 HA THR 8 12.031 -6.305 -4.754
32 HB THR 8 HB THR 8 10.507 -4.386 -4.220
33 HG1 THR 8 HG1 THR 8 9.170 -4.723 -2.621
34 HG21 THR 8 3HG2 THR 8 8.959 -4.941 -5.867
35 HG22 THR 8 1HG2 THR 8 8.882 -6.629 -5.366
36 HG23 THR 8 2HG2 THR 8 10.304 -6.026 -6.217
37 H GLY 9 H GLY 9 12.885 -4.263 -3.838
38 HA2 GLY 9 1HA GLY 9 13.375 -4.469 -0.935
39 HA3 GLY 9 2HA GLY 9 14.700 -4.202 -2.058
40 H GLU 10 H GLU 10 13.629 -2.351 -3.780
41 HA GLU 10 HA GLU 10 14.173 0.060 -2.706
42 HB2 GLU 10 1HB GLU 10 12.783 1.090 -4.446
43 HB3 GLU 10 2HB GLU 10 13.720 -0.254 -5.083
44 HG2 GLU 10 1HG GLU 10 11.587 -1.643 -4.630
45 HG3 GLU 10 2HG GLU 10 10.783 -0.075 -4.577
46 H ASN 11 H ASN 11 11.240 -1.761 -2.252
47 HA ASN 11 HA ASN 11 10.182 0.415 -0.569
48 HB2 ASN 11 1HB ASN 11 7.941 -0.773 -0.948
49 HB3 ASN 11 2HB ASN 11 8.615 0.121 -2.307
50 HD21 ASN 11 1HD2 ASN 11 8.691 -0.892 -4.175
51 HD22 ASN 11 2HD2 ASN 11 8.628 -2.603 -4.407
52 HA PRO 12 HA PRO 12 11.268 -3.054 2.274
53 HB2 PRO 12 1HB PRO 12 12.143 -1.432 4.267
54 HB3 PRO 12 2HB PRO 12 13.175 -1.954 2.930
55 HG2 PRO 12 1HG PRO 12 11.713 0.633 3.296
56 HG3 PRO 12 2HG PRO 12 13.364 0.353 2.711
57 HD2 PRO 12 1HD PRO 12 11.292 0.854 1.041
58 HD3 PRO 12 2HD PRO 12 12.654 -0.190 0.587
59 H TYR 13 H TYR 13 9.023 -0.563 2.166
60 HA TYR 13 HA TYR 13 7.699 -1.548 4.609
61 HB2 TYR 13 1HB TYR 13 7.384 1.211 3.419
62 HB3 TYR 13 2HB TYR 13 6.747 0.636 4.955
63 HD1 TYR 13 HD1 TYR 13 8.266 0.260 6.864
64 HD2 TYR 13 HD2 TYR 13 9.657 1.938 3.210
65 HE1 TYR 13 HE1 TYR 13 10.298 1.045 8.005
66 HE2 TYR 13 HE2 TYR 13 11.694 2.727 4.341
67 HH TYR 13 HH TYR 13 12.015 2.991 7.574
68 H GLU 14 H GLU 14 6.165 -2.915 3.950
69 HA GLU 14 HA GLU 14 4.450 -2.093 1.698
70 HB2 GLU 14 1HB GLU 14 5.562 -4.730 2.503
71 HB3 GLU 14 2HB GLU 14 3.935 -4.714 1.838
72 HG2 GLU 14 1HG GLU 14 4.632 -4.106 -0.238
73 HG3 GLU 14 2HG GLU 14 6.039 -3.234 0.367
74 H CYS 15 H CYS 15 2.230 -2.273 1.903
75 HA CYS 15 HA CYS 15 1.227 -2.119 4.596
76 HB2 CYS 15 1HB CYS 15 0.432 -0.707 2.638
77 HB3 CYS 15 2HB CYS 15 -0.403 -2.144 2.056
78 H HIS 16 H HIS 16 0.958 -3.939 5.715
79 HA HIS 16 HA HIS 16 0.493 -6.478 4.533
80 HB2 HIS 16 1HB HIS 16 0.194 -7.269 6.843
81 HB3 HIS 16 2HB HIS 16 1.626 -6.254 6.690
82 HD1 HIS 16 HD1 HIS 16 1.802 -5.159 8.914
83 HD2 HIS 16 HD2 HIS 16 -2.066 -5.020 7.404
84 HE1 HIS 16 HE1 HIS 16 0.502 -3.731 10.525
85 H GLU 17 H GLU 17 -1.533 -3.915 4.808
86 HA GLU 17 HA GLU 17 -3.936 -5.349 5.544
87 HB2 GLU 17 1HB GLU 17 -3.720 -2.575 4.372
88 HB3 GLU 17 2HB GLU 17 -5.078 -3.255 5.257
89 HG2 GLU 17 1HG GLU 17 -3.411 -3.493 7.203
90 HG3 GLU 17 2HG GLU 17 -2.421 -2.357 6.290
91 H CYS 18 H CYS 18 -2.666 -3.779 2.613
92 HA CYS 18 HA CYS 18 -4.550 -5.407 1.035
93 HB2 CYS 18 1HB CYS 18 -4.374 -3.643 -0.706
94 HB3 CYS 18 2HB CYS 18 -5.061 -3.051 0.803
95 H GLY 19 H GLY 19 -1.296 -3.984 1.066
96 HA2 GLY 19 1HA GLY 19 0.462 -5.730 0.554
97 HA3 GLY 19 2HA GLY 19 -0.480 -6.034 -0.897
98 H LYS 20 H LYS 20 -0.289 -2.778 0.182
99 HA LYS 20 HA LYS 20 0.962 -1.936 -2.231
100 HB2 LYS 20 1HB LYS 20 -0.679 -0.696 -0.551
101 HB3 LYS 20 2HB LYS 20 0.836 -0.133 0.142
102 HG2 LYS 20 1HG LYS 20 1.349 1.153 -1.664
103 HG3 LYS 20 2HG LYS 20 0.484 0.108 -2.794
104 HD2 LYS 20 1HD LYS 20 -1.602 0.966 -1.390
105 HD3 LYS 20 2HD LYS 20 -0.522 2.332 -1.100
106 HE2 LYS 20 1HE LYS 20 -2.006 2.625 -3.072
107 HE3 LYS 20 2HE LYS 20 -0.288 2.723 -3.454
108 HZ1 LYS 20 3HZ LYS 20 -1.968 1.254 -4.851
109 HZ2 LYS 20 1HZ LYS 20 -1.546 0.103 -3.685
110 HZ3 LYS 20 2HZ LYS 20 -0.348 0.816 -4.642
111 H ALA 21 H ALA 21 2.820 -0.198 -1.944
112 HA ALA 21 HA ALA 21 4.852 -1.126 -0.062
113 HB1 ALA 21 3HB ALA 21 5.752 -2.416 -1.668
114 HB2 ALA 21 1HB ALA 21 4.920 -1.561 -2.967
115 HB3 ALA 21 2HB ALA 21 6.396 -0.890 -2.273
116 H PHE 22 H PHE 22 6.375 0.414 0.480
117 HA PHE 22 HA PHE 22 6.271 2.998 -0.888
118 HB2 PHE 22 1HB PHE 22 6.095 2.782 2.120
119 HB3 PHE 22 2HB PHE 22 5.976 4.242 1.144
120 HD1 PHE 22 HD2 PHE 22 4.289 0.979 1.723
121 HD2 PHE 22 HD1 PHE 22 3.900 5.043 0.519
122 HE1 PHE 22 HE2 PHE 22 1.844 0.716 1.637
123 HE2 PHE 22 HE1 PHE 22 1.455 4.787 0.432
124 HZ PHE 22 HZ PHE 22 0.423 2.621 0.990
125 H SER 23 H SER 23 8.101 4.365 -0.453
126 HA SER 23 HA SER 23 10.533 2.882 -0.242
127 HB2 SER 23 1HB SER 23 9.951 5.099 -1.573
128 HB3 SER 23 2HB SER 23 10.519 5.866 -0.090
129 HG SER 23 HG SER 23 12.344 4.172 -0.496
130 H ARG 24 H ARG 24 8.982 5.367 1.773
131 HA ARG 24 HA ARG 24 10.844 4.681 3.944
132 HB2 ARG 24 1HB ARG 24 9.035 7.074 3.982
133 HB3 ARG 24 2HB ARG 24 10.562 6.828 4.818
134 HG2 ARG 24 1HG ARG 24 11.486 6.732 2.342
135 HG3 ARG 24 2HG ARG 24 10.039 7.692 2.032
136 HD2 ARG 24 1HD ARG 24 11.765 9.243 2.465
137 HD3 ARG 24 2HD ARG 24 10.785 9.187 3.930
138 HE ARG 24 HE ARG 24 12.708 7.388 4.460
139 HH11 ARG 24 1HH1 ARG 24 12.823 10.659 3.272
140 HH12 ARG 24 2HH1 ARG 24 14.365 11.001 3.985
141 HH21 ARG 24 1HH2 ARG 24 14.738 7.827 5.404
142 HH22 ARG 24 2HH2 ARG 24 15.453 9.390 5.197
143 H LYS 25 H LYS 25 9.904 4.781 6.166
144 HA LYS 25 HA LYS 25 7.772 2.964 6.414
145 HB2 LYS 25 1HB LYS 25 9.446 3.134 8.145
146 HB3 LYS 25 2HB LYS 25 9.034 4.818 8.439
147 HG2 LYS 25 1HG LYS 25 8.003 3.710 10.186
148 HG3 LYS 25 2HG LYS 25 6.693 3.918 9.022
149 HD2 LYS 25 1HD LYS 25 6.672 1.682 8.447
150 HD3 LYS 25 2HD LYS 25 8.346 1.431 8.947
151 HE2 LYS 25 1HE LYS 25 7.441 1.959 11.323
152 HE3 LYS 25 2HE LYS 25 5.869 1.581 10.620
153 HZ1 LYS 25 3HZ LYS 25 6.534 -0.454 11.398
154 HZ2 LYS 25 1HZ LYS 25 8.172 -0.185 11.073
155 HZ3 LYS 25 2HZ LYS 25 7.106 -0.536 9.808
156 H TYR 26 H TYR 26 7.906 6.452 7.135
157 HA TYR 26 HA TYR 26 5.269 6.812 7.899
158 HB2 TYR 26 1HB TYR 26 5.698 9.060 7.805
159 HB3 TYR 26 2HB TYR 26 7.352 8.462 7.739
160 HD1 TYR 26 HD1 TYR 26 8.543 8.379 5.551
161 HD2 TYR 26 HD2 TYR 26 4.738 10.236 5.974
162 HE1 TYR 26 HE1 TYR 26 8.891 9.564 3.424
163 HE2 TYR 26 HE2 TYR 26 5.075 11.425 3.848
164 HH TYR 26 HH TYR 26 7.959 11.808 2.394
165 H GLN 27 H GLN 27 6.676 6.817 4.656
166 HA GLN 27 HA GLN 27 4.518 7.692 3.173
167 HB2 GLN 27 1HB GLN 27 6.633 5.641 2.526
168 HB3 GLN 27 2HB GLN 27 5.455 6.197 1.344
169 HG2 GLN 27 1HG GLN 27 6.318 8.562 2.016
170 HG3 GLN 27 2HG GLN 27 7.722 7.669 2.597
171 HE21 GLN 27 1HE2 GLN 27 8.632 9.145 0.867
172 HE22 GLN 27 2HE2 GLN 27 8.733 8.488 -0.728
173 H LEU 28 H LEU 28 4.970 4.665 4.805
174 HA LEU 28 HA LEU 28 2.764 3.381 3.422
175 HB2 LEU 28 1HB LEU 28 4.396 1.833 3.915
176 HB3 LEU 28 2HB LEU 28 4.761 2.560 5.478
177 HG LEU 28 HG LEU 28 2.813 1.568 6.464
178 HD11 LEU 28 1HD1 LEU 28 1.713 -0.172 4.665
179 HD12 LEU 28 2HD1 LEU 28 2.005 1.258 3.676
180 HD13 LEU 28 3HD1 LEU 28 1.026 1.383 5.136
181 HD21 LEU 28 3HD2 LEU 28 4.693 0.119 6.472
182 HD22 LEU 28 1HD2 LEU 28 4.429 -0.341 4.790
183 HD23 LEU 28 2HD2 LEU 28 3.294 -0.863 6.034
184 H ILE 29 H ILE 29 3.503 4.562 6.687
185 HA ILE 29 HA ILE 29 1.164 3.851 7.979
186 HB ILE 29 HB ILE 29 3.031 6.168 8.356
187 HG12 ILE 29 1HG1 ILE 29 3.328 4.935 10.576
188 HG13 ILE 29 2HG1 ILE 29 2.382 3.635 9.859
189 HG21 ILE 29 1HG2 ILE 29 1.579 6.221 10.635
190 HG22 ILE 29 2HG2 ILE 29 1.315 7.302 9.268
191 HG23 ILE 29 3HG2 ILE 29 0.322 5.856 9.453
192 HD11 ILE 29 3HD1 ILE 29 4.025 3.229 8.212
193 HD12 ILE 29 1HD1 ILE 29 4.891 4.712 8.613
194 HD13 ILE 29 2HD1 ILE 29 4.871 3.366 9.754
195 H SER 30 H SER 30 1.843 6.820 6.146
196 HA SER 30 HA SER 30 -0.550 8.150 6.561
197 HB2 SER 30 1HB SER 30 1.226 9.308 5.465
198 HB3 SER 30 2HB SER 30 1.293 8.116 4.167
199 HG SER 30 HG SER 30 0.117 10.235 3.841
200 H HIS 31 H HIS 31 0.206 5.544 4.333
201 HA HIS 31 HA HIS 31 -2.229 5.692 2.861
202 HB2 HIS 31 1HB HIS 31 -0.377 4.625 1.805
203 HB3 HIS 31 2HB HIS 31 -0.147 3.529 3.164
204 HD1 HIS 31 HD1 HIS 31 -2.574 4.192 0.338
205 HD2 HIS 31 HD2 HIS 31 -1.520 1.169 2.986
206 HE1 HIS 31 HE1 HIS 31 -3.843 2.158 -0.423
207 H GLN 32 H GLN 32 -1.086 3.511 5.434
208 HA GLN 32 HA GLN 32 -3.232 1.852 5.710
209 HB2 GLN 32 1HB GLN 32 -1.689 3.092 7.995
210 HB3 GLN 32 2HB GLN 32 -2.621 1.602 8.063
211 HG2 GLN 32 1HG GLN 32 -1.055 0.787 6.195
212 HG3 GLN 32 2HG GLN 32 -0.027 2.136 6.674
213 HE21 GLN 32 1HE2 GLN 32 -0.588 -1.061 7.122
214 HE22 GLN 32 2HE2 GLN 32 0.141 -1.273 8.673
215 H ARG 33 H ARG 33 -2.975 5.193 6.751
216 HA ARG 33 HA ARG 33 -5.035 5.509 8.493
217 HB2 ARG 33 1HB ARG 33 -4.472 7.349 6.160
218 HB3 ARG 33 2HB ARG 33 -5.299 7.782 7.650
219 HG2 ARG 33 1HG ARG 33 -2.532 6.688 7.793
220 HG3 ARG 33 2HG ARG 33 -2.780 8.366 7.304
221 HD2 ARG 33 1HD ARG 33 -2.617 8.670 9.554
222 HD3 ARG 33 2HD ARG 33 -4.349 8.359 9.441
223 HE ARG 33 HE ARG 33 -3.209 5.896 9.807
224 HH11 ARG 33 1HH1 ARG 33 -3.208 8.920 11.532
225 HH12 ARG 33 2HH1 ARG 33 -3.020 8.182 13.088
226 HH21 ARG 33 1HH2 ARG 33 -2.961 4.913 11.850
227 HH22 ARG 33 2HH2 ARG 33 -2.879 5.903 13.268
228 H THR 34 H THR 34 -5.287 5.156 4.988
229 HA THR 34 HA THR 34 -8.040 5.667 4.748
230 HB THR 34 HB THR 34 -7.932 4.683 2.580
231 HG1 THR 34 HG1 THR 34 -5.408 3.639 2.680
232 HG21 THR 34 3HG2 THR 34 -5.443 5.495 1.934
233 HG22 THR 34 1HG2 THR 34 -5.624 6.278 3.503
234 HG23 THR 34 2HG2 THR 34 -6.785 6.603 2.216
235 H HIS 35 H HIS 35 -6.255 2.760 5.578
236 HA HIS 35 HA HIS 35 -8.477 0.983 5.365
237 HB2 HIS 35 1HB HIS 35 -5.738 0.796 6.580
238 HB3 HIS 35 2HB HIS 35 -6.926 -0.472 6.869
239 HD1 HIS 35 HD1 HIS 35 -7.942 -1.544 4.551
240 HD2 HIS 35 HD2 HIS 35 -4.307 0.453 4.306
241 HE1 HIS 35 HE1 HIS 35 -6.890 -2.324 2.404
242 H ALA 36 H ALA 36 -6.945 2.721 8.041
243 HA ALA 36 HA ALA 36 -8.176 1.683 10.230
244 HB1 ALA 36 3HB ALA 36 -6.887 4.136 9.585
245 HB2 ALA 36 1HB ALA 36 -8.315 4.490 10.558
246 HB3 ALA 36 2HB ALA 36 -7.089 3.375 11.163
247 H GLY 37 H GLY 37 -10.077 2.191 11.436
248 HA2 GLY 37 1HA GLY 37 -12.166 3.616 11.375
249 HA3 GLY 37 2HA GLY 37 -12.307 3.070 9.710
250 H GLU 38 H GLU 38 -13.388 1.236 9.303
251 HA GLU 38 HA GLU 38 -14.908 -0.000 11.319
252 HB2 GLU 38 1HB GLU 38 -14.253 -0.967 8.530
253 HB3 GLU 38 2HB GLU 38 -15.490 -1.662 9.568
254 HG2 GLU 38 1HG GLU 38 -16.765 0.359 9.513
255 HG3 GLU 38 2HG GLU 38 -15.476 1.205 8.660
256 H LYS 39 H LYS 39 -13.533 -0.724 12.951
257 HA LYS 39 HA LYS 39 -11.653 -2.867 12.261
258 HB2 LYS 39 1HB LYS 39 -10.753 -2.550 14.527
259 HB3 LYS 39 2HB LYS 39 -10.734 -1.052 13.606
260 HG2 LYS 39 1HG LYS 39 -13.030 -0.643 14.783
261 HG3 LYS 39 2HG LYS 39 -12.412 -1.820 15.944
262 HD2 LYS 39 1HD LYS 39 -11.768 0.280 16.789
263 HD3 LYS 39 2HD LYS 39 -10.312 -0.385 16.044
264 HE2 LYS 39 1HE LYS 39 -11.011 0.915 13.956
265 HE3 LYS 39 2HE LYS 39 -12.134 1.770 15.012
266 HZ1 LYS 39 3HZ LYS 39 -9.356 2.172 14.680
267 HZ2 LYS 39 1HZ LYS 39 -9.683 1.787 16.295
268 HZ3 LYS 39 2HZ LYS 39 -10.466 3.096 15.563
269 HA PRO 40 HA PRO 40 -14.233 -6.033 13.877
270 HB2 PRO 40 1HB PRO 40 -12.370 -7.771 14.814
271 HB3 PRO 40 2HB PRO 40 -12.675 -7.527 13.090
272 HG2 PRO 40 1HG PRO 40 -10.512 -6.380 14.812
273 HG3 PRO 40 2HG PRO 40 -10.402 -7.045 13.172
274 HD2 PRO 40 1HD PRO 40 -10.487 -4.383 13.662
275 HD3 PRO 40 2HD PRO 40 -11.184 -5.107 12.199
276 H SER 41 H SER 41 -14.386 -7.500 15.925
277 HA SER 41 HA SER 41 -14.050 -5.746 18.265
278 HB2 SER 41 1HB SER 41 -16.392 -6.411 17.566
279 HB3 SER 41 2HB SER 41 -15.972 -8.065 18.010
280 HG SER 41 HG SER 41 -16.333 -5.815 19.637
281 H GLY 42 H GLY 42 -14.302 -9.250 17.606
282 HA2 GLY 42 1HA GLY 42 -13.241 -10.325 19.835
283 HA3 GLY 42 2HA GLY 42 -12.872 -10.961 18.239
284 HA PRO 43 HA PRO 43 -9.173 -8.751 20.433
285 HB2 PRO 43 1HB PRO 43 -8.236 -10.686 22.091
286 HB3 PRO 43 2HB PRO 43 -9.390 -9.451 22.610
287 HG2 PRO 43 1HG PRO 43 -9.891 -12.285 21.787
288 HG3 PRO 43 2HG PRO 43 -10.587 -11.373 23.139
289 HD2 PRO 43 1HD PRO 43 -11.916 -11.773 20.813
290 HD3 PRO 43 2HD PRO 43 -12.124 -10.307 21.792
291 H SER 44 H SER 44 -7.575 -8.839 18.997
292 HA SER 44 HA SER 44 -6.867 -11.430 17.808
293 HB2 SER 44 1HB SER 44 -7.523 -9.676 16.218
294 HB3 SER 44 2HB SER 44 -6.256 -8.623 16.847
295 HG SER 44 HG SER 44 -4.936 -10.697 16.260
296 H SER 45 H SER 45 -5.366 -8.477 19.102
297 HA SER 45 HA SER 45 -2.753 -9.686 19.183
298 HB2 SER 45 1HB SER 45 -3.890 -7.030 19.989
299 HB3 SER 45 2HB SER 45 -2.291 -7.506 20.561
300 HG SER 45 HG SER 45 -1.529 -7.439 18.549
301 H GLY 46 H GLY 46 -2.717 -11.412 20.556
302 HA2 GLY 46 1HA GLY 46 -3.684 -11.015 23.303
303 HA3 GLY 46 2HA GLY 46 -3.335 -12.566 22.553
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -7.037 -17.815 -12.453
2 HA2 GLY 1 1HA GLY 1 -5.308 -17.406 -14.217
3 HA3 GLY 1 2HA GLY 1 -6.379 -16.138 -14.797
4 H SER 2 H SER 2 -5.230 -17.050 -11.551
5 HA SER 2 HA SER 2 -4.780 -14.261 -10.920
6 HB2 SER 2 1HB SER 2 -4.115 -15.184 -8.672
7 HB3 SER 2 2HB SER 2 -5.752 -15.601 -9.178
8 HG SER 2 HG SER 2 -3.955 -17.439 -10.030
9 H SER 3 H SER 3 -2.837 -13.268 -10.604
10 HA SER 3 HA SER 3 -0.419 -14.850 -11.180
11 HB2 SER 3 1HB SER 3 0.481 -12.766 -12.291
12 HB3 SER 3 2HB SER 3 -0.844 -13.551 -13.149
13 HG SER 3 HG SER 3 -1.424 -11.526 -11.299
14 H GLY 4 H GLY 4 1.609 -13.732 -10.436
15 HA2 GLY 4 1HA GLY 4 1.370 -11.772 -8.343
16 HA3 GLY 4 2HA GLY 4 1.692 -13.389 -7.733
17 H SER 5 H SER 5 3.412 -14.366 -9.655
18 HA SER 5 HA SER 5 5.885 -13.733 -8.838
19 HB2 SER 5 1HB SER 5 5.115 -15.424 -10.658
20 HB3 SER 5 2HB SER 5 5.465 -14.118 -11.790
21 HG SER 5 HG SER 5 7.589 -14.061 -10.642
22 H SER 6 H SER 6 7.036 -11.937 -8.693
23 HA SER 6 HA SER 6 7.100 -10.040 -10.886
24 HB2 SER 6 1HB SER 6 5.891 -9.425 -8.213
25 HB3 SER 6 2HB SER 6 6.748 -8.157 -9.090
26 HG SER 6 HG SER 6 4.391 -8.420 -9.477
27 H GLY 7 H GLY 7 8.762 -8.345 -10.541
28 HA2 GLY 7 1HA GLY 7 11.116 -9.543 -9.364
29 HA3 GLY 7 2HA GLY 7 11.053 -8.047 -10.286
30 H THR 8 H THR 8 11.928 -9.151 -7.420
31 HA THR 8 HA THR 8 10.716 -7.804 -5.393
32 HB THR 8 HB THR 8 12.872 -7.702 -4.235
33 HG1 THR 8 HG1 THR 8 14.082 -7.079 -6.174
34 HG21 THR 8 3HG2 THR 8 11.781 -9.847 -4.261
35 HG22 THR 8 1HG2 THR 8 13.513 -10.102 -4.470
36 HG23 THR 8 2HG2 THR 8 12.432 -10.209 -5.859
37 H GLY 9 H GLY 9 10.255 -5.749 -4.966
38 HA2 GLY 9 1HA GLY 9 11.509 -3.657 -6.576
39 HA3 GLY 9 2HA GLY 9 10.070 -3.482 -5.582
40 H GLU 10 H GLU 10 11.688 -1.473 -5.304
41 HA GLU 10 HA GLU 10 13.513 -2.010 -3.077
42 HB2 GLU 10 1HB GLU 10 13.120 0.540 -4.653
43 HB3 GLU 10 2HB GLU 10 14.380 0.234 -3.466
44 HG2 GLU 10 1HG GLU 10 15.140 -1.661 -4.956
45 HG3 GLU 10 2HG GLU 10 14.051 -1.007 -6.178
46 H ASN 11 H ASN 11 10.889 -2.311 -2.379
47 HA ASN 11 HA ASN 11 10.376 0.094 -0.756
48 HB2 ASN 11 1HB ASN 11 8.336 -1.804 -1.939
49 HB3 ASN 11 2HB ASN 11 7.967 -0.460 -0.863
50 HD21 ASN 11 1HD2 ASN 11 9.087 1.658 -1.680
51 HD22 ASN 11 2HD2 ASN 11 8.799 2.015 -3.345
52 HA PRO 12 HA PRO 12 11.216 -3.268 2.223
53 HB2 PRO 12 1HB PRO 12 12.160 -1.601 4.146
54 HB3 PRO 12 2HB PRO 12 13.161 -2.201 2.819
55 HG2 PRO 12 1HG PRO 12 11.779 0.439 3.106
56 HG3 PRO 12 2HG PRO 12 13.414 0.091 2.514
57 HD2 PRO 12 1HD PRO 12 11.338 0.592 0.850
58 HD3 PRO 12 2HD PRO 12 12.663 -0.508 0.418
59 H TYR 13 H TYR 13 9.044 -0.713 2.052
60 HA TYR 13 HA TYR 13 7.724 -1.568 4.545
61 HB2 TYR 13 1HB TYR 13 7.501 1.152 3.243
62 HB3 TYR 13 2HB TYR 13 6.812 0.660 4.787
63 HD1 TYR 13 HD1 TYR 13 8.256 0.347 6.749
64 HD2 TYR 13 HD2 TYR 13 9.826 1.740 3.048
65 HE1 TYR 13 HE1 TYR 13 10.293 1.101 7.903
66 HE2 TYR 13 HE2 TYR 13 11.868 2.496 4.192
67 HH TYR 13 HH TYR 13 12.621 3.112 6.397
68 H GLU 14 H GLU 14 6.085 -2.859 4.026
69 HA GLU 14 HA GLU 14 4.357 -2.074 1.772
70 HB2 GLU 14 1HB GLU 14 5.474 -4.718 2.546
71 HB3 GLU 14 2HB GLU 14 3.827 -4.691 1.931
72 HG2 GLU 14 1HG GLU 14 4.466 -4.089 -0.166
73 HG3 GLU 14 2HG GLU 14 5.897 -3.228 0.395
74 H CYS 15 H CYS 15 2.138 -2.266 2.037
75 HA CYS 15 HA CYS 15 1.202 -2.023 4.734
76 HB2 CYS 15 1HB CYS 15 0.268 -0.718 2.822
77 HB3 CYS 15 2HB CYS 15 -0.415 -2.210 2.185
78 H HIS 16 H HIS 16 0.561 -3.605 6.028
79 HA HIS 16 HA HIS 16 0.275 -6.295 4.997
80 HB2 HIS 16 1HB HIS 16 0.057 -6.928 7.382
81 HB3 HIS 16 2HB HIS 16 1.509 -5.981 7.068
82 HD1 HIS 16 HD1 HIS 16 1.914 -4.308 8.826
83 HD2 HIS 16 HD2 HIS 16 -2.147 -4.989 8.268
84 HE1 HIS 16 HE1 HIS 16 0.749 -2.826 10.490
85 H GLU 17 H GLU 17 -1.724 -4.320 4.236
86 HA GLU 17 HA GLU 17 -4.099 -5.650 5.359
87 HB2 GLU 17 1HB GLU 17 -3.918 -2.743 4.548
88 HB3 GLU 17 2HB GLU 17 -5.334 -3.556 5.201
89 HG2 GLU 17 1HG GLU 17 -3.886 -4.039 7.250
90 HG3 GLU 17 2HG GLU 17 -2.786 -2.827 6.595
91 H CYS 18 H CYS 18 -2.859 -3.752 2.620
92 HA CYS 18 HA CYS 18 -4.742 -5.193 0.872
93 HB2 CYS 18 1HB CYS 18 -4.550 -3.316 -0.684
94 HB3 CYS 18 2HB CYS 18 -5.070 -2.755 0.902
95 H GLY 19 H GLY 19 -1.434 -3.897 1.035
96 HA2 GLY 19 1HA GLY 19 0.288 -5.634 0.434
97 HA3 GLY 19 2HA GLY 19 -0.668 -5.878 -1.020
98 H LYS 20 H LYS 20 -0.389 -2.664 0.185
99 HA LYS 20 HA LYS 20 0.879 -1.781 -2.218
100 HB2 LYS 20 1HB LYS 20 -0.791 -0.561 -0.559
101 HB3 LYS 20 2HB LYS 20 0.707 -0.025 0.189
102 HG2 LYS 20 1HG LYS 20 1.277 1.301 -1.568
103 HG3 LYS 20 2HG LYS 20 0.448 0.283 -2.749
104 HD2 LYS 20 1HD LYS 20 -1.683 1.115 -1.402
105 HD3 LYS 20 2HD LYS 20 -0.612 2.469 -1.037
106 HE2 LYS 20 1HE LYS 20 -2.018 2.824 -3.052
107 HE3 LYS 20 2HE LYS 20 -0.287 2.916 -3.373
108 HZ1 LYS 20 3HZ LYS 20 -2.051 1.412 -4.759
109 HZ2 LYS 20 1HZ LYS 20 -1.384 0.276 -3.697
110 HZ3 LYS 20 2HZ LYS 20 -0.378 1.162 -4.727
111 H ALA 21 H ALA 21 2.762 -0.124 -1.949
112 HA ALA 21 HA ALA 21 4.744 -1.047 -0.007
113 HB1 ALA 21 3HB ALA 21 4.832 -1.568 -2.881
114 HB2 ALA 21 1HB ALA 21 6.295 -0.814 -2.247
115 HB3 ALA 21 2HB ALA 21 5.715 -2.332 -1.560
116 H PHE 22 H PHE 22 6.375 0.451 0.453
117 HA PHE 22 HA PHE 22 6.283 3.035 -0.902
118 HB2 PHE 22 1HB PHE 22 6.105 2.852 2.107
119 HB3 PHE 22 2HB PHE 22 5.994 4.301 1.113
120 HD1 PHE 22 HD2 PHE 22 4.287 1.044 1.691
121 HD2 PHE 22 HD1 PHE 22 3.919 5.123 0.532
122 HE1 PHE 22 HE2 PHE 22 1.840 0.798 1.615
123 HE2 PHE 22 HE1 PHE 22 1.471 4.884 0.455
124 HZ PHE 22 HZ PHE 22 0.429 2.719 0.996
125 H SER 23 H SER 23 8.128 4.390 -0.437
126 HA SER 23 HA SER 23 10.540 2.874 -0.241
127 HB2 SER 23 1HB SER 23 9.992 5.116 -1.542
128 HB3 SER 23 2HB SER 23 10.559 5.857 -0.046
129 HG SER 23 HG SER 23 12.400 5.606 -1.116
130 H ARG 24 H ARG 24 9.064 5.396 1.792
131 HA ARG 24 HA ARG 24 10.911 4.662 3.954
132 HB2 ARG 24 1HB ARG 24 9.069 7.028 4.045
133 HB3 ARG 24 2HB ARG 24 10.607 6.790 4.864
134 HG2 ARG 24 1HG ARG 24 11.519 6.754 2.388
135 HG3 ARG 24 2HG ARG 24 10.048 7.683 2.091
136 HD2 ARG 24 1HD ARG 24 11.667 9.305 2.545
137 HD3 ARG 24 2HD ARG 24 10.790 9.133 4.065
138 HE ARG 24 HE ARG 24 12.690 8.286 5.036
139 HH11 ARG 24 1HH1 ARG 24 13.087 8.372 1.578
140 HH12 ARG 24 2HH1 ARG 24 14.777 7.995 1.632
141 HH21 ARG 24 1HH2 ARG 24 14.915 7.788 5.120
142 HH22 ARG 24 2HH2 ARG 24 15.815 7.662 3.647
143 H LYS 25 H LYS 25 9.925 4.841 6.200
144 HA LYS 25 HA LYS 25 7.819 2.954 6.414
145 HB2 LYS 25 1HB LYS 25 9.530 3.091 8.125
146 HB3 LYS 25 2HB LYS 25 9.090 4.755 8.483
147 HG2 LYS 25 1HG LYS 25 8.076 3.604 10.196
148 HG3 LYS 25 2HG LYS 25 6.760 3.758 9.029
149 HD2 LYS 25 1HD LYS 25 7.365 1.483 8.176
150 HD3 LYS 25 2HD LYS 25 8.503 1.346 9.519
151 HE2 LYS 25 1HE LYS 25 5.514 1.707 9.709
152 HE3 LYS 25 2HE LYS 25 6.426 0.247 10.089
153 HZ1 LYS 25 3HZ LYS 25 6.776 0.994 12.130
154 HZ2 LYS 25 1HZ LYS 25 5.780 2.322 11.804
155 HZ3 LYS 25 2HZ LYS 25 7.449 2.435 11.554
156 H TYR 26 H TYR 26 7.985 6.450 7.033
157 HA TYR 26 HA TYR 26 5.352 6.799 7.902
158 HB2 TYR 26 1HB TYR 26 5.794 9.044 7.847
159 HB3 TYR 26 2HB TYR 26 7.444 8.440 7.749
160 HD1 TYR 26 HD1 TYR 26 8.632 8.436 5.574
161 HD2 TYR 26 HD2 TYR 26 4.793 10.215 6.022
162 HE1 TYR 26 HE1 TYR 26 8.959 9.659 3.465
163 HE2 TYR 26 HE2 TYR 26 5.109 11.443 3.914
164 HH TYR 26 HH TYR 26 6.544 11.972 2.289
165 H GLN 27 H GLN 27 6.732 6.803 4.653
166 HA GLN 27 HA GLN 27 4.575 7.732 3.194
167 HB2 GLN 27 1HB GLN 27 6.626 5.632 2.489
168 HB3 GLN 27 2HB GLN 27 5.479 6.293 1.331
169 HG2 GLN 27 1HG GLN 27 6.410 8.568 1.893
170 HG3 GLN 27 2HG GLN 27 7.691 7.729 2.765
171 HE21 GLN 27 1HE2 GLN 27 8.774 9.148 1.008
172 HE22 GLN 27 2HE2 GLN 27 9.164 8.323 -0.459
173 H LEU 28 H LEU 28 5.010 4.675 4.779
174 HA LEU 28 HA LEU 28 2.786 3.426 3.400
175 HB2 LEU 28 1HB LEU 28 4.403 1.862 3.895
176 HB3 LEU 28 2HB LEU 28 4.765 2.580 5.464
177 HG LEU 28 HG LEU 28 2.834 1.586 6.449
178 HD11 LEU 28 1HD1 LEU 28 1.019 1.499 5.145
179 HD12 LEU 28 2HD1 LEU 28 1.638 -0.075 4.648
180 HD13 LEU 28 3HD1 LEU 28 1.969 1.351 3.666
181 HD21 LEU 28 3HD2 LEU 28 3.223 -0.889 5.699
182 HD22 LEU 28 1HD2 LEU 28 4.496 -0.001 6.537
183 HD23 LEU 28 2HD2 LEU 28 4.560 -0.190 4.785
184 H ILE 29 H ILE 29 3.528 4.571 6.679
185 HA ILE 29 HA ILE 29 1.198 3.887 7.977
186 HB ILE 29 HB ILE 29 3.062 6.209 8.313
187 HG12 ILE 29 1HG1 ILE 29 3.215 4.993 10.613
188 HG13 ILE 29 2HG1 ILE 29 2.425 3.663 9.774
189 HG21 ILE 29 1HG2 ILE 29 1.667 6.452 10.552
190 HG22 ILE 29 2HG2 ILE 29 1.246 7.343 9.091
191 HG23 ILE 29 3HG2 ILE 29 0.368 5.873 9.511
192 HD11 ILE 29 3HD1 ILE 29 4.920 4.928 8.708
193 HD12 ILE 29 1HD1 ILE 29 4.967 3.644 9.916
194 HD13 ILE 29 2HD1 ILE 29 4.235 3.346 8.339
195 H SER 30 H SER 30 1.845 6.877 6.157
196 HA SER 30 HA SER 30 -0.559 8.174 6.543
197 HB2 SER 30 1HB SER 30 1.383 9.170 5.384
198 HB3 SER 30 2HB SER 30 1.074 8.132 3.992
199 HG SER 30 HG SER 30 -1.186 9.246 4.347
200 H HIS 31 H HIS 31 0.199 5.522 4.380
201 HA HIS 31 HA HIS 31 -2.250 5.641 2.914
202 HB2 HIS 31 1HB HIS 31 -0.402 4.592 1.838
203 HB3 HIS 31 2HB HIS 31 -0.127 3.516 3.204
204 HD1 HIS 31 HD1 HIS 31 -2.514 4.065 0.337
205 HD2 HIS 31 HD2 HIS 31 -1.558 1.163 3.153
206 HE1 HIS 31 HE1 HIS 31 -3.781 2.007 -0.360
207 H GLN 32 H GLN 32 -1.050 3.549 5.529
208 HA GLN 32 HA GLN 32 -3.153 1.832 5.837
209 HB2 GLN 32 1HB GLN 32 -1.617 3.156 8.079
210 HB3 GLN 32 2HB GLN 32 -2.535 1.661 8.202
211 HG2 GLN 32 1HG GLN 32 -0.978 0.807 6.340
212 HG3 GLN 32 2HG GLN 32 0.045 2.173 6.782
213 HE21 GLN 32 1HE2 GLN 32 -0.398 -1.008 7.263
214 HE22 GLN 32 2HE2 GLN 32 0.301 -1.183 8.833
215 H ARG 33 H ARG 33 -3.046 5.221 6.602
216 HA ARG 33 HA ARG 33 -5.118 5.492 8.407
217 HB2 ARG 33 1HB ARG 33 -4.577 7.358 6.092
218 HB3 ARG 33 2HB ARG 33 -5.360 7.762 7.614
219 HG2 ARG 33 1HG ARG 33 -2.487 6.923 7.278
220 HG3 ARG 33 2HG ARG 33 -3.066 8.568 7.549
221 HD2 ARG 33 1HD ARG 33 -4.218 7.415 9.640
222 HD3 ARG 33 2HD ARG 33 -2.889 6.275 9.429
223 HE ARG 33 HE ARG 33 -1.412 7.898 10.125
224 HH11 ARG 33 1HH1 ARG 33 -4.546 9.308 9.564
225 HH12 ARG 33 2HH1 ARG 33 -4.140 10.824 10.297
226 HH21 ARG 33 1HH2 ARG 33 -0.866 9.890 11.094
227 HH22 ARG 33 2HH2 ARG 33 -2.047 11.154 11.167
228 H THR 34 H THR 34 -5.257 5.017 4.925
229 HA THR 34 HA THR 34 -7.982 5.561 4.537
230 HB THR 34 HB THR 34 -7.811 4.347 2.457
231 HG1 THR 34 HG1 THR 34 -6.543 2.574 3.486
232 HG21 THR 34 3HG2 THR 34 -5.403 5.268 1.762
233 HG22 THR 34 1HG2 THR 34 -5.584 6.119 3.295
234 HG23 THR 34 2HG2 THR 34 -6.784 6.334 2.021
235 H HIS 35 H HIS 35 -6.306 2.670 5.616
236 HA HIS 35 HA HIS 35 -8.546 0.924 5.414
237 HB2 HIS 35 1HB HIS 35 -5.890 0.782 6.809
238 HB3 HIS 35 2HB HIS 35 -7.116 -0.448 7.098
239 HD1 HIS 35 HD1 HIS 35 -8.005 -1.641 4.780
240 HD2 HIS 35 HD2 HIS 35 -4.314 0.264 4.670
241 HE1 HIS 35 HE1 HIS 35 -6.827 -2.573 2.763
242 H ALA 36 H ALA 36 -7.237 2.971 7.960
243 HA ALA 36 HA ALA 36 -8.633 2.045 10.157
244 HB1 ALA 36 3HB ALA 36 -7.517 3.721 11.084
245 HB2 ALA 36 1HB ALA 36 -7.131 4.363 9.487
246 HB3 ALA 36 2HB ALA 36 -8.605 4.874 10.311
247 H GLY 37 H GLY 37 -10.529 2.971 11.243
248 HA2 GLY 37 1HA GLY 37 -12.457 4.610 10.573
249 HA3 GLY 37 2HA GLY 37 -12.672 3.424 9.295
250 H GLU 38 H GLU 38 -11.694 1.404 11.453
251 HA GLU 38 HA GLU 38 -14.382 0.952 12.544
252 HB2 GLU 38 1HB GLU 38 -12.053 -0.941 12.183
253 HB3 GLU 38 2HB GLU 38 -13.590 -1.380 12.914
254 HG2 GLU 38 1HG GLU 38 -13.281 -0.354 10.104
255 HG3 GLU 38 2HG GLU 38 -13.362 -2.059 10.543
256 H LYS 39 H LYS 39 -14.125 -0.513 14.674
257 HA LYS 39 HA LYS 39 -12.394 1.029 16.495
258 HB2 LYS 39 1HB LYS 39 -14.042 0.844 18.196
259 HB3 LYS 39 2HB LYS 39 -14.890 1.345 16.739
260 HG2 LYS 39 1HG LYS 39 -14.723 -1.561 17.312
261 HG3 LYS 39 2HG LYS 39 -15.801 -0.577 18.305
262 HD2 LYS 39 1HD LYS 39 -15.911 -0.219 15.356
263 HD3 LYS 39 2HD LYS 39 -16.605 -1.693 16.035
264 HE2 LYS 39 1HE LYS 39 -18.435 -0.338 16.140
265 HE3 LYS 39 2HE LYS 39 -17.713 0.036 17.705
266 HZ1 LYS 39 3HZ LYS 39 -17.246 2.118 17.078
267 HZ2 LYS 39 1HZ LYS 39 -18.405 1.867 15.871
268 HZ3 LYS 39 2HZ LYS 39 -16.762 1.669 15.520
269 HA PRO 40 HA PRO 40 -10.384 -2.705 17.650
270 HB2 PRO 40 1HB PRO 40 -9.643 -2.083 20.186
271 HB3 PRO 40 2HB PRO 40 -8.867 -1.384 18.760
272 HG2 PRO 40 1HG PRO 40 -10.981 -0.216 20.529
273 HG3 PRO 40 2HG PRO 40 -9.538 0.558 19.848
274 HD2 PRO 40 1HD PRO 40 -12.006 0.884 18.783
275 HD3 PRO 40 2HD PRO 40 -10.531 0.890 17.795
276 H SER 41 H SER 41 -10.257 -4.187 19.733
277 HA SER 41 HA SER 41 -12.925 -5.158 20.148
278 HB2 SER 41 1HB SER 41 -11.833 -6.960 21.425
279 HB3 SER 41 2HB SER 41 -11.047 -6.715 19.866
280 HG SER 41 HG SER 41 -9.849 -6.778 22.127
281 H GLY 42 H GLY 42 -13.050 -2.712 21.160
282 HA2 GLY 42 1HA GLY 42 -13.893 -3.092 23.812
283 HA3 GLY 42 2HA GLY 42 -12.299 -2.354 23.843
284 HA PRO 43 HA PRO 43 -15.894 0.708 22.895
285 HB2 PRO 43 1HB PRO 43 -16.620 1.457 25.402
286 HB3 PRO 43 2HB PRO 43 -17.409 0.140 24.526
287 HG2 PRO 43 1HG PRO 43 -15.289 0.009 26.635
288 HG3 PRO 43 2HG PRO 43 -16.740 -0.993 26.443
289 HD2 PRO 43 1HD PRO 43 -14.280 -1.830 25.679
290 HD3 PRO 43 2HD PRO 43 -15.762 -2.323 24.835
291 H SER 44 H SER 44 -14.366 2.141 22.160
292 HA SER 44 HA SER 44 -13.107 3.837 24.207
293 HB2 SER 44 1HB SER 44 -11.333 2.461 23.337
294 HB3 SER 44 2HB SER 44 -11.837 2.774 21.676
295 HG SER 44 HG SER 44 -10.011 4.046 22.488
296 H SER 45 H SER 45 -12.710 6.023 23.567
297 HA SER 45 HA SER 45 -13.818 6.970 21.067
298 HB2 SER 45 1HB SER 45 -15.475 8.441 22.066
299 HB3 SER 45 2HB SER 45 -15.807 6.778 22.551
300 HG SER 45 HG SER 45 -15.615 8.748 24.155
301 H GLY 46 H GLY 46 -12.454 8.462 20.358
302 HA2 GLY 46 1HA GLY 46 -11.572 10.625 22.027
303 HA3 GLY 46 2HA GLY 46 -10.283 9.487 21.667
Start of MODEL 9
1 H1 GLY 1 H GLY 1 12.077 -16.756 -11.798
2 HA2 GLY 1 1HA GLY 1 9.542 -16.063 -11.348
3 HA3 GLY 1 2HA GLY 1 10.200 -15.951 -9.722
4 H SER 2 H SER 2 10.414 -14.673 -12.994
5 HA SER 2 HA SER 2 12.299 -12.637 -12.412
6 HB2 SER 2 1HB SER 2 11.925 -13.360 -14.704
7 HB3 SER 2 2HB SER 2 10.242 -12.839 -14.624
8 HG SER 2 HG SER 2 11.810 -10.797 -13.928
9 H SER 3 H SER 3 11.877 -11.226 -10.823
10 HA SER 3 HA SER 3 9.243 -9.908 -10.803
11 HB2 SER 3 1HB SER 3 9.564 -11.021 -8.718
12 HB3 SER 3 2HB SER 3 11.219 -10.430 -8.579
13 HG SER 3 HG SER 3 8.798 -9.039 -8.227
14 H GLY 4 H GLY 4 9.197 -7.626 -10.257
15 HA2 GLY 4 1HA GLY 4 11.198 -6.166 -11.699
16 HA3 GLY 4 2HA GLY 4 9.811 -5.485 -10.862
17 H SER 5 H SER 5 13.076 -6.752 -10.395
18 HA SER 5 HA SER 5 13.388 -4.889 -8.148
19 HB2 SER 5 1HB SER 5 14.194 -7.806 -8.153
20 HB3 SER 5 2HB SER 5 14.724 -6.637 -6.943
21 HG SER 5 HG SER 5 12.234 -7.812 -7.318
22 H SER 6 H SER 6 14.963 -3.534 -8.653
23 HA SER 6 HA SER 6 17.357 -4.586 -9.999
24 HB2 SER 6 1HB SER 6 15.945 -1.984 -10.634
25 HB3 SER 6 2HB SER 6 17.501 -2.479 -11.301
26 HG SER 6 HG SER 6 16.069 -4.484 -11.850
27 H GLY 7 H GLY 7 18.302 -4.662 -7.889
28 HA2 GLY 7 1HA GLY 7 19.368 -3.798 -6.028
29 HA3 GLY 7 2HA GLY 7 20.039 -2.694 -7.219
30 H THR 8 H THR 8 19.424 -0.587 -7.220
31 HA THR 8 HA THR 8 18.084 0.385 -4.880
32 HB THR 8 HB THR 8 18.440 2.635 -5.884
33 HG1 THR 8 HG1 THR 8 19.363 2.820 -7.873
34 HG21 THR 8 3HG2 THR 8 21.109 1.679 -6.289
35 HG22 THR 8 1HG2 THR 8 20.370 0.801 -4.951
36 HG23 THR 8 2HG2 THR 8 20.445 2.563 -4.916
37 H GLY 9 H GLY 9 15.945 -0.254 -4.923
38 HA2 GLY 9 1HA GLY 9 14.016 1.352 -5.949
39 HA3 GLY 9 2HA GLY 9 14.299 0.204 -7.249
40 H GLU 10 H GLU 10 14.421 -0.427 -3.774
41 HA GLU 10 HA GLU 10 12.179 -2.305 -4.136
42 HB2 GLU 10 1HB GLU 10 14.267 -3.443 -3.605
43 HB3 GLU 10 2HB GLU 10 14.490 -2.423 -2.191
44 HG2 GLU 10 1HG GLU 10 12.546 -3.390 -1.138
45 HG3 GLU 10 2HG GLU 10 12.208 -4.346 -2.579
46 H ASN 11 H ASN 11 10.628 -2.490 -2.473
47 HA ASN 11 HA ASN 11 10.450 -0.098 -0.767
48 HB2 ASN 11 1HB ASN 11 8.187 -1.897 -1.657
49 HB3 ASN 11 2HB ASN 11 8.047 -0.350 -0.828
50 HD21 ASN 11 1HD2 ASN 11 8.221 1.526 -1.971
51 HD22 ASN 11 2HD2 ASN 11 8.315 1.584 -3.695
52 HA PRO 12 HA PRO 12 11.190 -3.347 2.334
53 HB2 PRO 12 1HB PRO 12 12.141 -1.626 4.206
54 HB3 PRO 12 2HB PRO 12 13.141 -2.275 2.900
55 HG2 PRO 12 1HG PRO 12 11.777 0.383 3.099
56 HG3 PRO 12 2HG PRO 12 13.411 0.004 2.523
57 HD2 PRO 12 1HD PRO 12 11.342 0.466 0.838
58 HD3 PRO 12 2HD PRO 12 12.661 -0.656 0.446
59 H TYR 13 H TYR 13 9.034 -0.789 2.073
60 HA TYR 13 HA TYR 13 7.690 -1.572 4.576
61 HB2 TYR 13 1HB TYR 13 7.525 1.137 3.244
62 HB3 TYR 13 2HB TYR 13 6.825 0.675 4.792
63 HD1 TYR 13 HD1 TYR 13 8.298 0.273 6.744
64 HD2 TYR 13 HD2 TYR 13 9.822 1.765 3.062
65 HE1 TYR 13 HE1 TYR 13 10.347 1.002 7.894
66 HE2 TYR 13 HE2 TYR 13 11.875 2.497 4.201
67 HH TYR 13 HH TYR 13 12.614 1.566 7.436
68 H GLU 14 H GLU 14 6.184 -2.985 3.885
69 HA GLU 14 HA GLU 14 4.409 -2.115 1.698
70 HB2 GLU 14 1HB GLU 14 5.558 -4.767 2.395
71 HB3 GLU 14 2HB GLU 14 3.913 -4.742 1.776
72 HG2 GLU 14 1HG GLU 14 4.550 -4.069 -0.300
73 HG3 GLU 14 2HG GLU 14 5.968 -3.207 0.292
74 H CYS 15 H CYS 15 2.222 -2.178 2.002
75 HA CYS 15 HA CYS 15 1.260 -2.040 4.666
76 HB2 CYS 15 1HB CYS 15 0.325 -0.847 2.615
77 HB3 CYS 15 2HB CYS 15 -0.447 -2.374 2.201
78 H HIS 16 H HIS 16 0.519 -3.581 5.970
79 HA HIS 16 HA HIS 16 0.375 -6.311 4.982
80 HB2 HIS 16 1HB HIS 16 0.240 -6.954 7.326
81 HB3 HIS 16 2HB HIS 16 1.564 -5.816 7.094
82 HD1 HIS 16 HD1 HIS 16 0.357 -6.195 9.876
83 HD2 HIS 16 HD2 HIS 16 -0.908 -3.293 7.184
84 HE1 HIS 16 HE1 HIS 16 -0.722 -4.405 11.274
85 H GLU 17 H GLU 17 -1.682 -4.232 4.332
86 HA GLU 17 HA GLU 17 -4.029 -5.683 5.367
87 HB2 GLU 17 1HB GLU 17 -3.913 -2.764 4.590
88 HB3 GLU 17 2HB GLU 17 -5.309 -3.617 5.233
89 HG2 GLU 17 1HG GLU 17 -3.812 -4.094 7.269
90 HG3 GLU 17 2HG GLU 17 -2.794 -2.804 6.631
91 H CYS 18 H CYS 18 -2.820 -3.719 2.660
92 HA CYS 18 HA CYS 18 -4.682 -5.151 0.885
93 HB2 CYS 18 1HB CYS 18 -4.406 -3.265 -0.672
94 HB3 CYS 18 2HB CYS 18 -5.007 -2.729 0.893
95 H GLY 19 H GLY 19 -1.360 -3.895 1.078
96 HA2 GLY 19 1HA GLY 19 0.366 -5.616 0.494
97 HA3 GLY 19 2HA GLY 19 -0.597 -5.909 -0.946
98 H LYS 20 H LYS 20 -0.239 -2.673 0.240
99 HA LYS 20 HA LYS 20 0.978 -1.845 -2.222
100 HB2 LYS 20 1HB LYS 20 -0.708 -0.512 -0.879
101 HB3 LYS 20 2HB LYS 20 0.586 -0.180 0.265
102 HG2 LYS 20 1HG LYS 20 1.711 1.193 -1.195
103 HG3 LYS 20 2HG LYS 20 0.996 0.439 -2.622
104 HD2 LYS 20 1HD LYS 20 -0.698 1.966 -0.676
105 HD3 LYS 20 2HD LYS 20 0.210 2.803 -1.937
106 HE2 LYS 20 1HE LYS 20 -1.536 0.478 -2.637
107 HE3 LYS 20 2HE LYS 20 -2.250 2.068 -2.375
108 HZ1 LYS 20 3HZ LYS 20 -0.568 2.896 -4.043
109 HZ2 LYS 20 1HZ LYS 20 -1.811 1.928 -4.660
110 HZ3 LYS 20 2HZ LYS 20 -0.268 1.276 -4.425
111 H ALA 21 H ALA 21 2.859 -0.176 -2.003
112 HA ALA 21 HA ALA 21 4.858 -1.085 -0.066
113 HB1 ALA 21 3HB ALA 21 6.371 -0.782 -2.337
114 HB2 ALA 21 1HB ALA 21 5.859 -2.317 -1.636
115 HB3 ALA 21 2HB ALA 21 4.919 -1.584 -2.936
116 H PHE 22 H PHE 22 6.370 0.449 0.512
117 HA PHE 22 HA PHE 22 6.281 3.047 -0.834
118 HB2 PHE 22 1HB PHE 22 6.103 2.813 2.172
119 HB3 PHE 22 2HB PHE 22 5.957 4.272 1.197
120 HD1 PHE 22 HD2 PHE 22 4.334 0.942 1.621
121 HD2 PHE 22 HD1 PHE 22 3.856 5.079 0.743
122 HE1 PHE 22 HE2 PHE 22 1.894 0.640 1.545
123 HE2 PHE 22 HE1 PHE 22 1.414 4.784 0.667
124 HZ PHE 22 HZ PHE 22 0.430 2.562 1.067
125 H SER 23 H SER 23 8.127 4.365 -0.475
126 HA SER 23 HA SER 23 10.549 2.903 -0.258
127 HB2 SER 23 1HB SER 23 9.966 5.164 -1.511
128 HB3 SER 23 2HB SER 23 10.530 5.881 -0.002
129 HG SER 23 HG SER 23 12.259 5.643 -1.427
130 H ARG 24 H ARG 24 9.064 5.380 1.826
131 HA ARG 24 HA ARG 24 10.905 4.590 3.975
132 HB2 ARG 24 1HB ARG 24 9.116 6.993 4.104
133 HB3 ARG 24 2HB ARG 24 10.654 6.712 4.910
134 HG2 ARG 24 1HG ARG 24 11.539 6.687 2.417
135 HG3 ARG 24 2HG ARG 24 10.095 7.670 2.162
136 HD2 ARG 24 1HD ARG 24 11.843 9.189 2.618
137 HD3 ARG 24 2HD ARG 24 10.884 9.095 4.095
138 HE ARG 24 HE ARG 24 12.670 8.115 5.168
139 HH11 ARG 24 1HH1 ARG 24 13.275 8.254 1.742
140 HH12 ARG 24 2HH1 ARG 24 14.943 7.807 1.886
141 HH21 ARG 24 1HH2 ARG 24 14.864 7.526 5.371
142 HH22 ARG 24 2HH2 ARG 24 15.845 7.392 3.950
143 H LYS 25 H LYS 25 9.917 4.766 6.223
144 HA LYS 25 HA LYS 25 7.784 2.914 6.419
145 HB2 LYS 25 1HB LYS 25 9.495 3.049 8.140
146 HB3 LYS 25 2HB LYS 25 9.035 4.706 8.508
147 HG2 LYS 25 1HG LYS 25 8.038 3.486 10.203
148 HG3 LYS 25 2HG LYS 25 6.722 3.719 9.050
149 HD2 LYS 25 1HD LYS 25 7.400 1.452 8.085
150 HD3 LYS 25 2HD LYS 25 8.356 1.246 9.555
151 HE2 LYS 25 1HE LYS 25 5.405 1.860 9.526
152 HE3 LYS 25 2HE LYS 25 6.073 0.233 9.648
153 HZ1 LYS 25 3HZ LYS 25 5.480 1.245 11.811
154 HZ2 LYS 25 1HZ LYS 25 6.672 2.420 11.563
155 HZ3 LYS 25 2HZ LYS 25 7.107 0.792 11.708
156 H TYR 26 H TYR 26 7.977 6.398 7.116
157 HA TYR 26 HA TYR 26 5.343 6.774 7.936
158 HB2 TYR 26 1HB TYR 26 5.803 9.017 7.884
159 HB3 TYR 26 2HB TYR 26 7.448 8.396 7.809
160 HD1 TYR 26 HD1 TYR 26 8.661 8.370 5.644
161 HD2 TYR 26 HD2 TYR 26 4.845 10.208 6.051
162 HE1 TYR 26 HE1 TYR 26 9.031 9.589 3.540
163 HE2 TYR 26 HE2 TYR 26 5.204 11.431 3.947
164 HH TYR 26 HH TYR 26 8.074 11.881 2.549
165 H GLN 27 H GLN 27 6.746 6.810 4.693
166 HA GLN 27 HA GLN 27 4.615 7.755 3.221
167 HB2 GLN 27 1HB GLN 27 6.646 5.630 2.539
168 HB3 GLN 27 2HB GLN 27 5.506 6.282 1.369
169 HG2 GLN 27 1HG GLN 27 6.478 8.577 2.085
170 HG3 GLN 27 2HG GLN 27 7.823 7.614 2.694
171 HE21 GLN 27 1HE2 GLN 27 8.973 8.931 1.066
172 HE22 GLN 27 2HE2 GLN 27 9.040 8.341 -0.556
173 H LEU 28 H LEU 28 5.008 4.665 4.770
174 HA LEU 28 HA LEU 28 2.764 3.467 3.388
175 HB2 LEU 28 1HB LEU 28 4.387 1.897 3.898
176 HB3 LEU 28 2HB LEU 28 4.686 2.578 5.496
177 HG LEU 28 HG LEU 28 2.604 1.626 6.315
178 HD11 LEU 28 1HD1 LEU 28 2.292 0.593 3.501
179 HD12 LEU 28 2HD1 LEU 28 1.246 1.741 4.336
180 HD13 LEU 28 3HD1 LEU 28 1.325 0.066 4.879
181 HD21 LEU 28 3HD2 LEU 28 3.824 -0.159 6.808
182 HD22 LEU 28 1HD2 LEU 28 4.875 0.155 5.426
183 HD23 LEU 28 2HD2 LEU 28 3.439 -0.851 5.231
184 H ILE 29 H ILE 29 3.502 4.579 6.680
185 HA ILE 29 HA ILE 29 1.167 3.933 7.972
186 HB ILE 29 HB ILE 29 3.040 6.249 8.290
187 HG12 ILE 29 1HG1 ILE 29 3.153 5.053 10.613
188 HG13 ILE 29 2HG1 ILE 29 2.389 3.716 9.760
189 HG21 ILE 29 1HG2 ILE 29 0.403 5.855 9.661
190 HG22 ILE 29 2HG2 ILE 29 1.731 6.706 10.448
191 HG23 ILE 29 3HG2 ILE 29 1.067 7.317 8.933
192 HD11 ILE 29 3HD1 ILE 29 4.943 3.754 9.962
193 HD12 ILE 29 1HD1 ILE 29 4.230 3.376 8.395
194 HD13 ILE 29 2HD1 ILE 29 4.879 4.987 8.703
195 H SER 30 H SER 30 1.825 6.922 6.152
196 HA SER 30 HA SER 30 -0.577 8.221 6.514
197 HB2 SER 30 1HB SER 30 1.483 9.067 5.287
198 HB3 SER 30 2HB SER 30 0.897 8.187 3.876
199 HG SER 30 HG SER 30 -1.161 9.478 4.495
200 H HIS 31 H HIS 31 0.193 5.594 4.308
201 HA HIS 31 HA HIS 31 -2.255 5.694 2.857
202 HB2 HIS 31 1HB HIS 31 -0.416 4.624 1.793
203 HB3 HIS 31 2HB HIS 31 -0.138 3.568 3.175
204 HD1 HIS 31 HD1 HIS 31 -2.583 4.091 0.343
205 HD2 HIS 31 HD2 HIS 31 -1.513 1.194 3.122
206 HE1 HIS 31 HE1 HIS 31 -3.836 2.017 -0.331
207 H GLN 32 H GLN 32 -1.073 3.498 5.405
208 HA GLN 32 HA GLN 32 -3.210 1.853 5.731
209 HB2 GLN 32 1HB GLN 32 -1.672 3.116 8.006
210 HB3 GLN 32 2HB GLN 32 -2.568 1.604 8.066
211 HG2 GLN 32 1HG GLN 32 -0.995 0.807 6.220
212 HG3 GLN 32 2HG GLN 32 -0.006 2.205 6.637
213 HE21 GLN 32 1HE2 GLN 32 -0.495 -1.000 7.213
214 HE22 GLN 32 2HE2 GLN 32 0.297 -1.141 8.741
215 H ARG 33 H ARG 33 -3.044 5.232 6.504
216 HA ARG 33 HA ARG 33 -5.048 5.573 8.349
217 HB2 ARG 33 1HB ARG 33 -4.567 7.331 5.936
218 HB3 ARG 33 2HB ARG 33 -5.366 7.807 7.428
219 HG2 ARG 33 1HG ARG 33 -2.521 6.848 7.352
220 HG3 ARG 33 2HG ARG 33 -2.968 8.542 7.144
221 HD2 ARG 33 1HD ARG 33 -4.202 8.358 9.338
222 HD3 ARG 33 2HD ARG 33 -3.429 6.787 9.545
223 HE ARG 33 HE ARG 33 -1.351 8.462 9.062
224 HH11 ARG 33 1HH1 ARG 33 -3.992 8.479 11.331
225 HH12 ARG 33 2HH1 ARG 33 -3.103 9.321 12.558
226 HH21 ARG 33 1HH2 ARG 33 -0.171 9.570 10.669
227 HH22 ARG 33 2HH2 ARG 33 -0.931 9.942 12.180
228 H THR 34 H THR 34 -5.357 5.042 4.875
229 HA THR 34 HA THR 34 -8.104 5.529 4.624
230 HB THR 34 HB THR 34 -8.024 4.351 2.546
231 HG1 THR 34 HG1 THR 34 -7.029 2.451 2.917
232 HG21 THR 34 3HG2 THR 34 -5.547 5.123 1.808
233 HG22 THR 34 1HG2 THR 34 -5.723 6.040 3.303
234 HG23 THR 34 2HG2 THR 34 -6.898 6.240 2.003
235 H HIS 35 H HIS 35 -6.335 2.663 5.634
236 HA HIS 35 HA HIS 35 -8.613 0.934 5.626
237 HB2 HIS 35 1HB HIS 35 -5.854 0.710 6.824
238 HB3 HIS 35 2HB HIS 35 -7.075 -0.542 7.032
239 HD1 HIS 35 HD1 HIS 35 -8.081 -1.425 4.591
240 HD2 HIS 35 HD2 HIS 35 -4.310 0.317 4.645
241 HE1 HIS 35 HE1 HIS 35 -6.961 -2.180 2.470
242 H ALA 36 H ALA 36 -7.026 2.974 8.004
243 HA ALA 36 HA ALA 36 -8.373 1.986 10.286
244 HB1 ALA 36 3HB ALA 36 -7.774 4.694 10.731
245 HB2 ALA 36 1HB ALA 36 -6.842 3.283 11.230
246 HB3 ALA 36 2HB ALA 36 -6.499 4.066 9.687
247 H GLY 37 H GLY 37 -10.570 1.790 9.608
248 HA2 GLY 37 1HA GLY 37 -12.472 3.313 10.520
249 HA3 GLY 37 2HA GLY 37 -12.002 4.313 9.153
250 H GLU 38 H GLU 38 -12.589 0.831 9.675
251 HA GLU 38 HA GLU 38 -14.673 0.916 7.630
252 HB2 GLU 38 1HB GLU 38 -13.747 -0.903 6.358
253 HB3 GLU 38 2HB GLU 38 -12.533 0.362 6.480
254 HG2 GLU 38 1HG GLU 38 -11.463 -0.894 8.317
255 HG3 GLU 38 2HG GLU 38 -12.635 -2.188 8.074
256 H LYS 39 H LYS 39 -15.581 -1.462 7.408
257 HA LYS 39 HA LYS 39 -16.597 -2.143 9.981
258 HB2 LYS 39 1HB LYS 39 -16.869 -3.456 7.276
259 HB3 LYS 39 2HB LYS 39 -17.687 -4.044 8.718
260 HG2 LYS 39 1HG LYS 39 -18.030 -1.187 7.988
261 HG3 LYS 39 2HG LYS 39 -18.861 -2.405 7.018
262 HD2 LYS 39 1HD LYS 39 -20.430 -1.941 8.649
263 HD3 LYS 39 2HD LYS 39 -19.606 -3.347 9.328
264 HE2 LYS 39 1HE LYS 39 -18.557 -2.118 10.951
265 HE3 LYS 39 2HE LYS 39 -18.558 -0.642 9.986
266 HZ1 LYS 39 3HZ LYS 39 -20.918 -1.841 11.333
267 HZ2 LYS 39 1HZ LYS 39 -20.942 -0.444 10.379
268 HZ3 LYS 39 2HZ LYS 39 -20.083 -0.459 11.836
269 HA PRO 40 HA PRO 40 -13.623 -5.103 11.306
270 HB2 PRO 40 1HB PRO 40 -15.179 -6.575 12.974
271 HB3 PRO 40 2HB PRO 40 -14.610 -4.950 13.375
272 HG2 PRO 40 1HG PRO 40 -17.272 -5.817 12.314
273 HG3 PRO 40 2HG PRO 40 -16.905 -4.640 13.589
274 HD2 PRO 40 1HD PRO 40 -17.534 -3.901 11.061
275 HD3 PRO 40 2HD PRO 40 -16.419 -2.968 12.080
276 H SER 41 H SER 41 -13.066 -6.386 9.590
277 HA SER 41 HA SER 41 -14.902 -8.398 8.595
278 HB2 SER 41 1HB SER 41 -12.023 -7.875 7.818
279 HB3 SER 41 2HB SER 41 -13.176 -8.881 6.942
280 HG SER 41 HG SER 41 -13.522 -7.068 5.912
281 H GLY 42 H GLY 42 -11.722 -8.325 10.192
282 HA2 GLY 42 1HA GLY 42 -12.179 -11.139 10.977
283 HA3 GLY 42 2HA GLY 42 -10.588 -10.489 10.611
284 HA PRO 43 HA PRO 43 -11.691 -10.174 15.220
285 HB2 PRO 43 1HB PRO 43 -10.035 -12.122 16.134
286 HB3 PRO 43 2HB PRO 43 -11.712 -12.427 15.668
287 HG2 PRO 43 1HG PRO 43 -9.198 -12.894 14.111
288 HG3 PRO 43 2HG PRO 43 -10.622 -13.937 14.275
289 HD2 PRO 43 1HD PRO 43 -10.201 -12.377 12.102
290 HD3 PRO 43 2HD PRO 43 -11.827 -12.751 12.708
291 H SER 44 H SER 44 -10.178 -9.557 16.937
292 HA SER 44 HA SER 44 -7.859 -8.186 15.814
293 HB2 SER 44 1HB SER 44 -9.343 -6.826 17.166
294 HB3 SER 44 2HB SER 44 -9.215 -7.959 18.511
295 HG SER 44 HG SER 44 -7.289 -6.168 17.505
296 H SER 45 H SER 45 -8.627 -10.308 18.567
297 HA SER 45 HA SER 45 -5.918 -10.679 19.335
298 HB2 SER 45 1HB SER 45 -6.776 -12.433 20.805
299 HB3 SER 45 2HB SER 45 -7.818 -11.013 20.885
300 HG SER 45 HG SER 45 -9.380 -12.075 19.873
301 H GLY 46 H GLY 46 -8.216 -12.722 17.541
302 HA2 GLY 46 1HA GLY 46 -6.751 -14.977 17.110
303 HA3 GLY 46 2HA GLY 46 -7.816 -14.287 15.894
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -8.200 -12.684 -11.383
2 HA2 GLY 1 1HA GLY 1 -6.648 -11.135 -12.376
3 HA3 GLY 1 2HA GLY 1 -7.241 -9.901 -11.274
4 H SER 2 H SER 2 -5.936 -13.202 -10.910
5 HA SER 2 HA SER 2 -4.667 -12.647 -8.451
6 HB2 SER 2 1HB SER 2 -3.548 -14.813 -8.760
7 HB3 SER 2 2HB SER 2 -5.263 -14.929 -9.155
8 HG SER 2 HG SER 2 -4.041 -14.271 -11.380
9 H SER 3 H SER 3 -2.952 -11.421 -8.096
10 HA SER 3 HA SER 3 -0.632 -11.592 -9.818
11 HB2 SER 3 1HB SER 3 -1.966 -9.841 -10.923
12 HB3 SER 3 2HB SER 3 -2.044 -8.944 -9.407
13 HG SER 3 HG SER 3 -0.142 -8.879 -11.258
14 H GLY 4 H GLY 4 1.238 -10.429 -8.911
15 HA2 GLY 4 1HA GLY 4 1.395 -9.108 -6.516
16 HA3 GLY 4 2HA GLY 4 1.355 -10.807 -6.071
17 H SER 5 H SER 5 3.168 -8.310 -7.724
18 HA SER 5 HA SER 5 5.308 -9.813 -8.678
19 HB2 SER 5 1HB SER 5 5.099 -6.959 -7.735
20 HB3 SER 5 2HB SER 5 6.620 -7.623 -8.331
21 HG SER 5 HG SER 5 4.583 -6.687 -9.741
22 H SER 6 H SER 6 6.777 -11.006 -7.680
23 HA SER 6 HA SER 6 6.947 -11.511 -5.004
24 HB2 SER 6 1HB SER 6 8.129 -12.692 -6.963
25 HB3 SER 6 2HB SER 6 9.423 -11.517 -6.723
26 HG SER 6 HG SER 6 10.047 -12.598 -5.039
27 H GLY 7 H GLY 7 8.786 -9.076 -6.817
28 HA2 GLY 7 1HA GLY 7 8.877 -7.205 -4.757
29 HA3 GLY 7 2HA GLY 7 10.334 -8.179 -4.621
30 H THR 8 H THR 8 8.552 -5.947 -6.655
31 HA THR 8 HA THR 8 10.980 -5.548 -8.276
32 HB THR 8 HB THR 8 9.486 -4.507 -9.967
33 HG1 THR 8 HG1 THR 8 7.724 -3.899 -8.738
34 HG21 THR 8 3HG2 THR 8 9.466 -6.531 -10.894
35 HG22 THR 8 1HG2 THR 8 8.094 -6.992 -9.887
36 HG23 THR 8 2HG2 THR 8 9.740 -7.256 -9.310
37 H GLY 9 H GLY 9 11.974 -4.101 -6.830
38 HA2 GLY 9 1HA GLY 9 12.276 -1.614 -7.009
39 HA3 GLY 9 2HA GLY 9 10.587 -1.509 -6.536
40 H GLU 10 H GLU 10 12.980 -0.401 -5.243
41 HA GLU 10 HA GLU 10 13.459 -1.927 -2.867
42 HB2 GLU 10 1HB GLU 10 15.120 -0.353 -3.832
43 HB3 GLU 10 2HB GLU 10 14.059 0.984 -3.413
44 HG2 GLU 10 1HG GLU 10 15.574 0.974 -1.678
45 HG3 GLU 10 2HG GLU 10 14.220 0.063 -1.011
46 H ASN 11 H ASN 11 11.335 -2.281 -2.070
47 HA ASN 11 HA ASN 11 10.207 0.068 -0.698
48 HB2 ASN 11 1HB ASN 11 7.970 -1.209 -0.942
49 HB3 ASN 11 2HB ASN 11 8.598 -0.352 -2.347
50 HD21 ASN 11 1HD2 ASN 11 7.766 -1.550 -3.951
51 HD22 ASN 11 2HD2 ASN 11 8.103 -3.227 -4.198
52 HA PRO 12 HA PRO 12 11.321 -3.120 2.444
53 HB2 PRO 12 1HB PRO 12 12.186 -1.316 4.280
54 HB3 PRO 12 2HB PRO 12 13.219 -1.948 2.993
55 HG2 PRO 12 1HG PRO 12 11.736 0.649 3.127
56 HG3 PRO 12 2HG PRO 12 13.387 0.332 2.565
57 HD2 PRO 12 1HD PRO 12 11.307 0.662 0.863
58 HD3 PRO 12 2HD PRO 12 12.677 -0.408 0.501
59 H TYR 13 H TYR 13 9.067 -0.643 2.133
60 HA TYR 13 HA TYR 13 7.726 -1.468 4.624
61 HB2 TYR 13 1HB TYR 13 7.482 1.247 3.321
62 HB3 TYR 13 2HB TYR 13 6.823 0.750 4.875
63 HD1 TYR 13 HD1 TYR 13 8.379 0.305 6.781
64 HD2 TYR 13 HD2 TYR 13 9.716 2.022 3.125
65 HE1 TYR 13 HE1 TYR 13 10.422 1.088 7.903
66 HE2 TYR 13 HE2 TYR 13 11.764 2.809 4.237
67 HH TYR 13 HH TYR 13 12.335 2.188 7.690
68 H GLU 14 H GLU 14 6.212 -2.868 3.958
69 HA GLU 14 HA GLU 14 4.479 -2.054 1.718
70 HB2 GLU 14 1HB GLU 14 5.616 -4.687 2.500
71 HB3 GLU 14 2HB GLU 14 3.983 -4.679 1.850
72 HG2 GLU 14 1HG GLU 14 4.658 -4.057 -0.230
73 HG3 GLU 14 2HG GLU 14 6.064 -3.177 0.368
74 H CYS 15 H CYS 15 2.253 -2.316 1.924
75 HA CYS 15 HA CYS 15 1.269 -2.142 4.626
76 HB2 CYS 15 1HB CYS 15 0.434 -0.774 2.646
77 HB3 CYS 15 2HB CYS 15 -0.390 -2.234 2.107
78 H HIS 16 H HIS 16 0.961 -3.922 5.785
79 HA HIS 16 HA HIS 16 0.583 -6.500 4.643
80 HB2 HIS 16 1HB HIS 16 0.130 -7.180 7.029
81 HB3 HIS 16 2HB HIS 16 1.673 -6.372 6.766
82 HD1 HIS 16 HD1 HIS 16 2.146 -4.931 8.707
83 HD2 HIS 16 HD2 HIS 16 -1.881 -4.859 7.686
84 HE1 HIS 16 HE1 HIS 16 1.078 -3.301 10.297
85 H GLU 17 H GLU 17 -1.506 -3.957 4.931
86 HA GLU 17 HA GLU 17 -3.883 -5.456 5.608
87 HB2 GLU 17 1HB GLU 17 -3.594 -2.637 4.555
88 HB3 GLU 17 2HB GLU 17 -5.070 -3.349 5.192
89 HG2 GLU 17 1HG GLU 17 -3.574 -3.752 7.312
90 HG3 GLU 17 2HG GLU 17 -2.632 -2.432 6.623
91 H CYS 18 H CYS 18 -2.694 -3.743 2.717
92 HA CYS 18 HA CYS 18 -4.522 -5.388 1.097
93 HB2 CYS 18 1HB CYS 18 -4.331 -3.619 -0.619
94 HB3 CYS 18 2HB CYS 18 -4.979 -3.005 0.898
95 H GLY 19 H GLY 19 -1.255 -3.989 1.161
96 HA2 GLY 19 1HA GLY 19 0.516 -5.709 0.675
97 HA3 GLY 19 2HA GLY 19 -0.432 -6.081 -0.757
98 H LYS 20 H LYS 20 -0.156 -2.793 0.301
99 HA LYS 20 HA LYS 20 1.047 -2.029 -2.186
100 HB2 LYS 20 1HB LYS 20 -0.660 -0.714 -0.757
101 HB3 LYS 20 2HB LYS 20 0.734 -0.220 0.195
102 HG2 LYS 20 1HG LYS 20 1.623 1.045 -1.511
103 HG3 LYS 20 2HG LYS 20 0.771 0.142 -2.766
104 HD2 LYS 20 1HD LYS 20 -0.664 1.856 -0.753
105 HD3 LYS 20 2HD LYS 20 -0.059 2.498 -2.282
106 HE2 LYS 20 1HE LYS 20 -1.887 0.113 -2.114
107 HE3 LYS 20 2HE LYS 20 -2.482 1.767 -2.251
108 HZ1 LYS 20 3HZ LYS 20 -2.376 0.791 -4.417
109 HZ2 LYS 20 1HZ LYS 20 -0.762 0.334 -4.200
110 HZ3 LYS 20 2HZ LYS 20 -1.169 1.972 -4.314
111 H ALA 21 H ALA 21 2.886 -0.287 -1.997
112 HA ALA 21 HA ALA 21 4.913 -1.116 -0.053
113 HB1 ALA 21 3HB ALA 21 5.001 -1.606 -2.943
114 HB2 ALA 21 1HB ALA 21 6.453 -0.859 -2.277
115 HB3 ALA 21 2HB ALA 21 5.874 -2.393 -1.628
116 H PHE 22 H PHE 22 6.399 0.463 0.480
117 HA PHE 22 HA PHE 22 6.232 3.033 -0.913
118 HB2 PHE 22 1HB PHE 22 6.073 2.812 2.097
119 HB3 PHE 22 2HB PHE 22 5.951 4.278 1.130
120 HD1 PHE 22 HD2 PHE 22 4.275 1.004 1.683
121 HD2 PHE 22 HD1 PHE 22 3.872 5.076 0.512
122 HE1 PHE 22 HE2 PHE 22 1.831 0.732 1.592
123 HE2 PHE 22 HE1 PHE 22 1.428 4.811 0.419
124 HZ PHE 22 HZ PHE 22 0.404 2.637 0.959
125 H SER 23 H SER 23 8.026 4.464 -0.455
126 HA SER 23 HA SER 23 10.501 3.055 -0.325
127 HB2 SER 23 1HB SER 23 9.839 5.306 -1.551
128 HB3 SER 23 2HB SER 23 10.390 6.029 -0.040
129 HG SER 23 HG SER 23 12.392 5.456 -0.476
130 H ARG 24 H ARG 24 8.981 5.480 1.797
131 HA ARG 24 HA ARG 24 10.847 4.686 3.926
132 HB2 ARG 24 1HB ARG 24 9.078 7.108 4.049
133 HB3 ARG 24 2HB ARG 24 10.598 6.806 4.881
134 HG2 ARG 24 1HG ARG 24 11.577 6.796 2.455
135 HG3 ARG 24 2HG ARG 24 10.111 7.708 2.087
136 HD2 ARG 24 1HD ARG 24 10.689 9.427 3.607
137 HD3 ARG 24 2HD ARG 24 11.967 8.453 4.332
138 HE ARG 24 HE ARG 24 12.374 8.974 1.539
139 HH11 ARG 24 1HH1 ARG 24 12.814 10.203 4.767
140 HH12 ARG 24 2HH1 ARG 24 14.150 11.220 4.337
141 HH21 ARG 24 1HH2 ARG 24 14.131 10.309 0.962
142 HH22 ARG 24 2HH2 ARG 24 14.897 11.281 2.173
143 H LYS 25 H LYS 25 9.926 4.736 6.162
144 HA LYS 25 HA LYS 25 7.790 2.930 6.387
145 HB2 LYS 25 1HB LYS 25 9.486 3.114 8.115
146 HB3 LYS 25 2HB LYS 25 9.007 4.772 8.452
147 HG2 LYS 25 1HG LYS 25 8.046 3.518 10.166
148 HG3 LYS 25 2HG LYS 25 6.719 3.815 9.039
149 HD2 LYS 25 1HD LYS 25 6.901 1.604 8.140
150 HD3 LYS 25 2HD LYS 25 8.388 1.303 9.043
151 HE2 LYS 25 1HE LYS 25 7.230 1.265 11.109
152 HE3 LYS 25 2HE LYS 25 5.766 1.924 10.382
153 HZ1 LYS 25 3HZ LYS 25 6.052 -0.638 10.862
154 HZ2 LYS 25 1HZ LYS 25 6.769 -0.609 9.330
155 HZ3 LYS 25 2HZ LYS 25 5.176 -0.076 9.528
156 H TYR 26 H TYR 26 7.916 6.415 7.120
157 HA TYR 26 HA TYR 26 5.281 6.765 7.900
158 HB2 TYR 26 1HB TYR 26 5.724 9.002 7.845
159 HB3 TYR 26 2HB TYR 26 7.378 8.418 7.697
160 HD1 TYR 26 HD1 TYR 26 8.476 8.388 5.462
161 HD2 TYR 26 HD2 TYR 26 4.673 10.195 6.075
162 HE1 TYR 26 HE1 TYR 26 8.723 9.611 3.342
163 HE2 TYR 26 HE2 TYR 26 4.909 11.422 3.956
164 HH TYR 26 HH TYR 26 7.698 11.893 2.405
165 H GLN 27 H GLN 27 6.675 6.831 4.647
166 HA GLN 27 HA GLN 27 4.512 7.689 3.177
167 HB2 GLN 27 1HB GLN 27 6.589 5.607 2.494
168 HB3 GLN 27 2HB GLN 27 5.439 6.247 1.327
169 HG2 GLN 27 1HG GLN 27 6.376 8.553 2.055
170 HG3 GLN 27 2HG GLN 27 7.736 7.607 2.659
171 HE21 GLN 27 1HE2 GLN 27 8.447 9.307 0.850
172 HE22 GLN 27 2HE2 GLN 27 8.684 8.587 -0.702
173 H LEU 28 H LEU 28 4.971 4.652 4.790
174 HA LEU 28 HA LEU 28 2.760 3.374 3.414
175 HB2 LEU 28 1HB LEU 28 4.402 1.831 3.907
176 HB3 LEU 28 2HB LEU 28 4.750 2.549 5.478
177 HG LEU 28 HG LEU 28 2.795 1.546 6.438
178 HD11 LEU 28 1HD1 LEU 28 1.033 1.408 5.059
179 HD12 LEU 28 2HD1 LEU 28 1.685 -0.182 4.666
180 HD13 LEU 28 3HD1 LEU 28 2.039 1.197 3.626
181 HD21 LEU 28 3HD2 LEU 28 3.473 -0.904 5.176
182 HD22 LEU 28 1HD2 LEU 28 3.993 -0.294 6.747
183 HD23 LEU 28 2HD2 LEU 28 4.938 0.071 5.303
184 H ILE 29 H ILE 29 3.503 4.540 6.684
185 HA ILE 29 HA ILE 29 1.171 3.833 7.982
186 HB ILE 29 HB ILE 29 3.059 6.127 8.343
187 HG12 ILE 29 1HG1 ILE 29 3.164 4.916 10.644
188 HG13 ILE 29 2HG1 ILE 29 2.345 3.602 9.806
189 HG21 ILE 29 1HG2 ILE 29 1.568 6.296 10.588
190 HG22 ILE 29 2HG2 ILE 29 1.357 7.337 9.181
191 HG23 ILE 29 3HG2 ILE 29 0.321 5.927 9.396
192 HD11 ILE 29 3HD1 ILE 29 4.168 3.082 8.556
193 HD12 ILE 29 1HD1 ILE 29 4.783 4.734 8.558
194 HD13 ILE 29 2HD1 ILE 29 4.969 3.722 9.991
195 H SER 30 H SER 30 1.824 6.793 6.126
196 HA SER 30 HA SER 30 -0.575 8.113 6.543
197 HB2 SER 30 1HB SER 30 1.499 8.953 5.313
198 HB3 SER 30 2HB SER 30 0.872 8.117 3.892
199 HG SER 30 HG SER 30 -0.995 9.683 5.129
200 H HIS 31 H HIS 31 0.191 5.513 4.304
201 HA HIS 31 HA HIS 31 -2.249 5.631 2.848
202 HB2 HIS 31 1HB HIS 31 -0.408 4.555 1.792
203 HB3 HIS 31 2HB HIS 31 -0.152 3.486 3.168
204 HD1 HIS 31 HD1 HIS 31 -2.621 4.072 0.361
205 HD2 HIS 31 HD2 HIS 31 -1.497 1.107 3.045
206 HE1 HIS 31 HE1 HIS 31 -3.874 2.011 -0.350
207 H GLN 32 H GLN 32 -1.105 3.527 5.479
208 HA GLN 32 HA GLN 32 -3.255 1.855 5.763
209 HB2 GLN 32 1HB GLN 32 -1.678 3.107 8.018
210 HB3 GLN 32 2HB GLN 32 -2.636 1.636 8.122
211 HG2 GLN 32 1HG GLN 32 -1.107 0.756 6.256
212 HG3 GLN 32 2HG GLN 32 -0.050 2.098 6.691
213 HE21 GLN 32 1HE2 GLN 32 -0.594 -1.076 7.186
214 HE22 GLN 32 2HE2 GLN 32 0.128 -1.268 8.743
215 H ARG 33 H ARG 33 -2.988 5.210 6.733
216 HA ARG 33 HA ARG 33 -5.057 5.525 8.491
217 HB2 ARG 33 1HB ARG 33 -4.455 7.397 6.194
218 HB3 ARG 33 2HB ARG 33 -5.259 7.813 7.702
219 HG2 ARG 33 1HG ARG 33 -2.420 6.834 7.499
220 HG3 ARG 33 2HG ARG 33 -2.896 8.531 7.599
221 HD2 ARG 33 1HD ARG 33 -3.935 6.665 9.664
222 HD3 ARG 33 2HD ARG 33 -2.234 7.120 9.746
223 HE ARG 33 HE ARG 33 -4.524 8.823 10.234
224 HH11 ARG 33 1HH1 ARG 33 -1.108 8.637 9.588
225 HH12 ARG 33 2HH1 ARG 33 -0.768 10.208 10.234
226 HH21 ARG 33 1HH2 ARG 33 -4.089 10.894 11.086
227 HH22 ARG 33 2HH2 ARG 33 -2.464 11.491 11.086
228 H THR 34 H THR 34 -5.247 5.061 5.015
229 HA THR 34 HA THR 34 -7.977 5.689 4.689
230 HB THR 34 HB THR 34 -7.852 4.643 2.550
231 HG1 THR 34 HG1 THR 34 -6.924 2.668 3.036
232 HG21 THR 34 3HG2 THR 34 -6.649 6.559 2.243
233 HG22 THR 34 1HG2 THR 34 -5.386 5.386 1.875
234 HG23 THR 34 2HG2 THR 34 -5.454 6.136 3.469
235 H HIS 35 H HIS 35 -6.308 2.745 5.626
236 HA HIS 35 HA HIS 35 -8.583 1.038 5.407
237 HB2 HIS 35 1HB HIS 35 -5.901 0.778 6.747
238 HB3 HIS 35 2HB HIS 35 -7.139 -0.461 6.931
239 HD1 HIS 35 HD1 HIS 35 -8.054 -1.407 4.495
240 HD2 HIS 35 HD2 HIS 35 -4.309 0.388 4.598
241 HE1 HIS 35 HE1 HIS 35 -6.878 -2.186 2.414
242 H ALA 36 H ALA 36 -7.053 2.791 8.075
243 HA ALA 36 HA ALA 36 -8.374 1.846 10.257
244 HB1 ALA 36 3HB ALA 36 -8.409 4.652 10.544
245 HB2 ALA 36 1HB ALA 36 -7.222 3.506 11.168
246 HB3 ALA 36 2HB ALA 36 -6.987 4.246 9.584
247 H GLY 37 H GLY 37 -10.325 2.233 11.309
248 HA2 GLY 37 1HA GLY 37 -12.303 4.038 10.666
249 HA3 GLY 37 2HA GLY 37 -12.570 2.668 9.598
250 H GLU 38 H GLU 38 -13.566 0.881 10.369
251 HA GLU 38 HA GLU 38 -15.163 0.970 12.602
252 HB2 GLU 38 1HB GLU 38 -15.150 -1.581 12.439
253 HB3 GLU 38 2HB GLU 38 -15.658 -0.689 11.012
254 HG2 GLU 38 1HG GLU 38 -13.640 -1.113 9.893
255 HG3 GLU 38 2HG GLU 38 -12.838 -1.640 11.371
256 H LYS 39 H LYS 39 -14.523 1.329 14.623
257 HA LYS 39 HA LYS 39 -12.029 0.172 15.599
258 HB2 LYS 39 1HB LYS 39 -12.649 2.591 15.991
259 HB3 LYS 39 2HB LYS 39 -13.914 2.016 17.069
260 HG2 LYS 39 1HG LYS 39 -12.143 2.557 18.482
261 HG3 LYS 39 2HG LYS 39 -12.054 0.801 18.324
262 HD2 LYS 39 1HD LYS 39 -10.419 1.322 16.372
263 HD3 LYS 39 2HD LYS 39 -10.283 2.906 17.140
264 HE2 LYS 39 1HE LYS 39 -9.957 0.414 18.762
265 HE3 LYS 39 2HE LYS 39 -8.620 1.007 17.778
266 HZ1 LYS 39 3HZ LYS 39 -9.325 3.240 19.021
267 HZ2 LYS 39 1HZ LYS 39 -8.177 2.163 19.642
268 HZ3 LYS 39 2HZ LYS 39 -9.772 2.117 20.204
269 HA PRO 40 HA PRO 40 -14.096 -3.173 17.609
270 HB2 PRO 40 1HB PRO 40 -12.089 -3.892 19.290
271 HB3 PRO 40 2HB PRO 40 -12.065 -4.247 17.558
272 HG2 PRO 40 1HG PRO 40 -10.712 -2.038 19.058
273 HG3 PRO 40 2HG PRO 40 -10.076 -3.060 17.756
274 HD2 PRO 40 1HD PRO 40 -10.969 -0.540 17.326
275 HD3 PRO 40 2HD PRO 40 -11.112 -1.825 16.109
276 H SER 41 H SER 41 -13.545 -0.208 18.919
277 HA SER 41 HA SER 41 -14.444 -0.993 21.608
278 HB2 SER 41 1HB SER 41 -12.952 1.405 20.575
279 HB3 SER 41 2HB SER 41 -13.815 1.477 22.111
280 HG SER 41 HG SER 41 -11.429 0.374 21.567
281 H GLY 42 H GLY 42 -14.940 1.662 19.269
282 HA2 GLY 42 1HA GLY 42 -17.439 1.715 18.603
283 HA3 GLY 42 2HA GLY 42 -17.666 1.975 20.326
284 HA PRO 43 HA PRO 43 -16.735 5.977 17.868
285 HB2 PRO 43 1HB PRO 43 -19.269 6.884 17.506
286 HB3 PRO 43 2HB PRO 43 -18.432 5.873 16.322
287 HG2 PRO 43 1HG PRO 43 -20.448 5.092 18.393
288 HG3 PRO 43 2HG PRO 43 -20.323 4.573 16.702
289 HD2 PRO 43 1HD PRO 43 -19.456 3.045 18.762
290 HD3 PRO 43 2HD PRO 43 -18.678 3.027 17.166
291 H SER 44 H SER 44 -15.933 6.919 19.705
292 HA SER 44 HA SER 44 -17.922 8.055 21.558
293 HB2 SER 44 1HB SER 44 -16.226 7.822 23.367
294 HB3 SER 44 2HB SER 44 -16.751 6.270 22.717
295 HG SER 44 HG SER 44 -14.612 7.269 21.372
296 H SER 45 H SER 45 -17.579 10.144 22.262
297 HA SER 45 HA SER 45 -15.975 11.786 20.539
298 HB2 SER 45 1HB SER 45 -16.921 13.666 21.799
299 HB3 SER 45 2HB SER 45 -18.188 12.530 21.335
300 HG SER 45 HG SER 45 -17.867 11.615 23.507
301 H GLY 46 H GLY 46 -14.415 13.373 21.319
302 HA2 GLY 46 1HA GLY 46 -13.096 14.028 23.367
303 HA3 GLY 46 2HA GLY 46 -12.855 12.301 23.586
Start of MODEL 11
1 H1 GLY 1 H GLY 1 13.042 -22.156 -18.975
2 HA2 GLY 1 1HA GLY 1 14.015 -20.866 -16.864
3 HA3 GLY 1 2HA GLY 1 15.337 -20.645 -18.001
4 H SER 2 H SER 2 12.292 -19.537 -16.967
5 HA SER 2 HA SER 2 12.015 -17.818 -19.337
6 HB2 SER 2 1HB SER 2 10.054 -19.236 -18.671
7 HB3 SER 2 2HB SER 2 9.967 -18.321 -17.166
8 HG SER 2 HG SER 2 9.375 -16.536 -18.269
9 H SER 3 H SER 3 13.287 -16.081 -18.966
10 HA SER 3 HA SER 3 13.052 -14.708 -16.380
11 HB2 SER 3 1HB SER 3 15.115 -14.314 -18.561
12 HB3 SER 3 2HB SER 3 15.130 -13.565 -16.964
13 HG SER 3 HG SER 3 15.739 -16.173 -17.720
14 H GLY 4 H GLY 4 11.497 -13.216 -16.384
15 HA2 GLY 4 1HA GLY 4 11.571 -11.132 -18.415
16 HA3 GLY 4 2HA GLY 4 10.082 -12.063 -18.329
17 H SER 5 H SER 5 9.962 -12.421 -15.538
18 HA SER 5 HA SER 5 8.441 -10.417 -14.628
19 HB2 SER 5 1HB SER 5 9.316 -12.602 -13.440
20 HB3 SER 5 2HB SER 5 10.450 -11.484 -12.681
21 HG SER 5 HG SER 5 8.881 -10.996 -11.389
22 H SER 6 H SER 6 8.720 -8.293 -14.690
23 HA SER 6 HA SER 6 11.291 -7.058 -14.698
24 HB2 SER 6 1HB SER 6 9.494 -6.020 -15.932
25 HB3 SER 6 2HB SER 6 8.504 -5.899 -14.478
26 HG SER 6 HG SER 6 9.530 -3.920 -14.961
27 H GLY 7 H GLY 7 12.006 -5.414 -13.167
28 HA2 GLY 7 1HA GLY 7 11.422 -6.258 -10.418
29 HA3 GLY 7 2HA GLY 7 12.842 -5.366 -10.942
30 H THR 8 H THR 8 10.248 -5.062 -9.086
31 HA THR 8 HA THR 8 9.268 -2.488 -9.920
32 HB THR 8 HB THR 8 8.058 -2.515 -7.728
33 HG1 THR 8 HG1 THR 8 9.538 -3.820 -6.561
34 HG21 THR 8 3HG2 THR 8 6.450 -3.546 -8.872
35 HG22 THR 8 1HG2 THR 8 7.227 -5.105 -8.601
36 HG23 THR 8 2HG2 THR 8 7.660 -4.138 -10.011
37 H GLY 9 H GLY 9 11.573 -3.714 -7.559
38 HA2 GLY 9 1HA GLY 9 13.455 -2.042 -7.246
39 HA3 GLY 9 2HA GLY 9 12.175 -0.931 -6.779
40 H GLU 10 H GLU 10 13.332 -0.691 -4.768
41 HA GLU 10 HA GLU 10 13.111 -3.004 -2.968
42 HB2 GLU 10 1HB GLU 10 14.800 -0.511 -2.869
43 HB3 GLU 10 2HB GLU 10 14.596 -1.557 -1.470
44 HG2 GLU 10 1HG GLU 10 15.502 -2.707 -4.069
45 HG3 GLU 10 2HG GLU 10 16.644 -1.857 -3.030
46 H ASN 11 H ASN 11 11.315 -3.040 -1.799
47 HA ASN 11 HA ASN 11 10.321 -0.503 -0.681
48 HB2 ASN 11 1HB ASN 11 8.024 -1.771 -0.788
49 HB3 ASN 11 2HB ASN 11 8.645 -0.947 -2.215
50 HD21 ASN 11 1HD2 ASN 11 7.907 -2.137 -3.845
51 HD22 ASN 11 2HD2 ASN 11 8.176 -3.832 -4.043
52 HA PRO 12 HA PRO 12 11.261 -3.358 2.803
53 HB2 PRO 12 1HB PRO 12 12.112 -1.385 4.463
54 HB3 PRO 12 2HB PRO 12 13.165 -2.162 3.274
55 HG2 PRO 12 1HG PRO 12 11.722 0.455 3.103
56 HG3 PRO 12 2HG PRO 12 13.381 0.059 2.618
57 HD2 PRO 12 1HD PRO 12 11.347 0.239 0.840
58 HD3 PRO 12 2HD PRO 12 12.707 -0.881 0.624
59 H TYR 13 H TYR 13 9.052 -0.904 2.177
60 HA TYR 13 HA TYR 13 7.613 -1.489 4.679
61 HB2 TYR 13 1HB TYR 13 7.534 1.157 3.222
62 HB3 TYR 13 2HB TYR 13 6.801 0.775 4.776
63 HD1 TYR 13 HD1 TYR 13 8.239 0.437 6.770
64 HD2 TYR 13 HD2 TYR 13 9.836 1.762 3.055
65 HE1 TYR 13 HE1 TYR 13 10.276 1.196 7.922
66 HE2 TYR 13 HE2 TYR 13 11.877 2.523 4.197
67 HH TYR 13 HH TYR 13 12.966 2.663 6.122
68 H GLU 14 H GLU 14 6.110 -2.903 3.986
69 HA GLU 14 HA GLU 14 4.420 -2.073 1.718
70 HB2 GLU 14 1HB GLU 14 5.585 -4.709 2.438
71 HB3 GLU 14 2HB GLU 14 3.950 -4.711 1.792
72 HG2 GLU 14 1HG GLU 14 4.610 -4.033 -0.275
73 HG3 GLU 14 2HG GLU 14 6.002 -3.143 0.339
74 H CYS 15 H CYS 15 2.244 -2.069 1.993
75 HA CYS 15 HA CYS 15 1.207 -1.984 4.622
76 HB2 CYS 15 1HB CYS 15 0.314 -0.744 2.606
77 HB3 CYS 15 2HB CYS 15 -0.398 -2.266 2.079
78 H HIS 16 H HIS 16 0.605 -3.591 5.902
79 HA HIS 16 HA HIS 16 0.416 -6.287 4.868
80 HB2 HIS 16 1HB HIS 16 0.289 -6.976 7.186
81 HB3 HIS 16 2HB HIS 16 1.578 -5.789 7.008
82 HD1 HIS 16 HD1 HIS 16 0.176 -6.368 9.730
83 HD2 HIS 16 HD2 HIS 16 -0.817 -3.268 7.148
84 HE1 HIS 16 HE1 HIS 16 -0.945 -4.631 11.163
85 H GLU 17 H GLU 17 -1.641 -4.188 4.248
86 HA GLU 17 HA GLU 17 -3.998 -5.633 5.270
87 HB2 GLU 17 1HB GLU 17 -3.793 -2.730 4.449
88 HB3 GLU 17 2HB GLU 17 -5.267 -3.539 4.963
89 HG2 GLU 17 1HG GLU 17 -3.954 -4.063 7.121
90 HG3 GLU 17 2HG GLU 17 -2.872 -2.782 6.580
91 H CYS 18 H CYS 18 -2.810 -3.720 2.513
92 HA CYS 18 HA CYS 18 -4.620 -5.252 0.769
93 HB2 CYS 18 1HB CYS 18 -4.435 -3.403 -0.824
94 HB3 CYS 18 2HB CYS 18 -4.994 -2.822 0.742
95 H GLY 19 H GLY 19 -1.319 -3.992 1.054
96 HA2 GLY 19 1HA GLY 19 0.439 -5.659 0.481
97 HA3 GLY 19 2HA GLY 19 -0.497 -5.983 -0.971
98 H LYS 20 H LYS 20 -0.205 -2.731 0.193
99 HA LYS 20 HA LYS 20 1.025 -1.900 -2.262
100 HB2 LYS 20 1HB LYS 20 -0.686 -0.630 -0.765
101 HB3 LYS 20 2HB LYS 20 0.733 -0.135 0.148
102 HG2 LYS 20 1HG LYS 20 1.613 1.072 -1.647
103 HG3 LYS 20 2HG LYS 20 0.563 0.268 -2.817
104 HD2 LYS 20 1HD LYS 20 -0.642 1.893 -0.617
105 HD3 LYS 20 2HD LYS 20 0.033 2.703 -2.032
106 HE2 LYS 20 1HE LYS 20 -1.953 0.457 -2.255
107 HE3 LYS 20 2HE LYS 20 -2.450 2.140 -2.089
108 HZ1 LYS 20 3HZ LYS 20 -1.785 0.828 -4.419
109 HZ2 LYS 20 1HZ LYS 20 -0.484 1.866 -4.115
110 HZ3 LYS 20 2HZ LYS 20 -2.053 2.487 -4.228
111 H ALA 21 H ALA 21 2.905 -0.273 -2.105
112 HA ALA 21 HA ALA 21 4.895 -1.126 -0.125
113 HB1 ALA 21 3HB ALA 21 5.558 -2.485 -1.887
114 HB2 ALA 21 1HB ALA 21 5.162 -1.270 -3.104
115 HB3 ALA 21 2HB ALA 21 6.581 -1.061 -2.077
116 H PHE 22 H PHE 22 6.358 0.433 0.480
117 HA PHE 22 HA PHE 22 6.243 3.027 -0.881
118 HB2 PHE 22 1HB PHE 22 6.106 2.781 2.126
119 HB3 PHE 22 2HB PHE 22 5.933 4.242 1.159
120 HD1 PHE 22 HD2 PHE 22 4.348 0.905 1.644
121 HD2 PHE 22 HD1 PHE 22 3.821 5.017 0.677
122 HE1 PHE 22 HE2 PHE 22 1.910 0.578 1.596
123 HE2 PHE 22 HE1 PHE 22 1.382 4.696 0.628
124 HZ PHE 22 HZ PHE 22 0.424 2.475 1.086
125 H SER 23 H SER 23 8.065 4.399 -0.472
126 HA SER 23 HA SER 23 10.514 2.951 -0.299
127 HB2 SER 23 1HB SER 23 10.108 5.951 -0.267
128 HB3 SER 23 2HB SER 23 11.596 5.093 -0.668
129 HG SER 23 HG SER 23 9.170 4.781 -2.102
130 H ARG 24 H ARG 24 9.007 5.427 1.769
131 HA ARG 24 HA ARG 24 10.878 4.688 3.912
132 HB2 ARG 24 1HB ARG 24 9.060 7.073 4.020
133 HB3 ARG 24 2HB ARG 24 10.602 6.818 4.827
134 HG2 ARG 24 1HG ARG 24 11.471 6.766 2.321
135 HG3 ARG 24 2HG ARG 24 10.027 7.751 2.077
136 HD2 ARG 24 1HD ARG 24 10.831 9.485 3.328
137 HD3 ARG 24 2HD ARG 24 11.806 8.434 4.354
138 HE ARG 24 HE ARG 24 12.714 8.622 1.623
139 HH11 ARG 24 1HH1 ARG 24 12.906 9.956 4.832
140 HH12 ARG 24 2HH1 ARG 24 14.459 10.681 4.578
141 HH21 ARG 24 1HH2 ARG 24 14.758 9.572 1.276
142 HH22 ARG 24 2HH2 ARG 24 15.511 10.463 2.555
143 H LYS 25 H LYS 25 9.921 4.842 6.161
144 HA LYS 25 HA LYS 25 7.817 2.975 6.403
145 HB2 LYS 25 1HB LYS 25 9.561 3.219 8.105
146 HB3 LYS 25 2HB LYS 25 8.990 4.841 8.474
147 HG2 LYS 25 1HG LYS 25 8.158 3.413 10.163
148 HG3 LYS 25 2HG LYS 25 6.793 3.815 9.119
149 HD2 LYS 25 1HD LYS 25 6.748 1.694 8.156
150 HD3 LYS 25 2HD LYS 25 8.404 1.331 8.650
151 HE2 LYS 25 1HE LYS 25 7.473 1.522 11.055
152 HE3 LYS 25 2HE LYS 25 5.896 1.333 10.290
153 HZ1 LYS 25 3HZ LYS 25 7.700 -0.613 9.310
154 HZ2 LYS 25 1HZ LYS 25 6.230 -0.836 10.118
155 HZ3 LYS 25 2HZ LYS 25 7.663 -0.670 11.001
156 H TYR 26 H TYR 26 7.935 6.466 7.099
157 HA TYR 26 HA TYR 26 5.296 6.799 7.898
158 HB2 TYR 26 1HB TYR 26 5.714 9.048 7.827
159 HB3 TYR 26 2HB TYR 26 7.372 8.463 7.739
160 HD1 TYR 26 HD1 TYR 26 8.518 8.372 5.512
161 HD2 TYR 26 HD2 TYR 26 4.752 10.277 6.046
162 HE1 TYR 26 HE1 TYR 26 8.837 9.583 3.395
163 HE2 TYR 26 HE2 TYR 26 5.059 11.492 3.929
164 HH TYR 26 HH TYR 26 8.026 11.664 2.324
165 H GLN 27 H GLN 27 6.695 6.878 4.648
166 HA GLN 27 HA GLN 27 4.542 7.745 3.172
167 HB2 GLN 27 1HB GLN 27 6.604 5.646 2.498
168 HB3 GLN 27 2HB GLN 27 5.462 6.291 1.327
169 HG2 GLN 27 1HG GLN 27 6.381 8.575 1.876
170 HG3 GLN 27 2HG GLN 27 7.662 7.746 2.759
171 HE21 GLN 27 1HE2 GLN 27 8.187 9.417 0.624
172 HE22 GLN 27 2HE2 GLN 27 8.801 8.480 -0.692
173 H LEU 28 H LEU 28 4.983 4.696 4.776
174 HA LEU 28 HA LEU 28 2.763 3.436 3.400
175 HB2 LEU 28 1HB LEU 28 4.424 1.904 3.911
176 HB3 LEU 28 2HB LEU 28 4.711 2.598 5.506
177 HG LEU 28 HG LEU 28 2.669 1.598 6.344
178 HD11 LEU 28 1HD1 LEU 28 1.304 1.732 4.347
179 HD12 LEU 28 2HD1 LEU 28 1.350 0.073 4.941
180 HD13 LEU 28 3HD1 LEU 28 2.321 0.535 3.544
181 HD21 LEU 28 3HD2 LEU 28 3.305 -0.746 6.209
182 HD22 LEU 28 1HD2 LEU 28 4.731 0.275 6.397
183 HD23 LEU 28 2HD2 LEU 28 4.334 -0.403 4.817
184 H ILE 29 H ILE 29 3.504 4.523 6.705
185 HA ILE 29 HA ILE 29 1.172 3.861 7.988
186 HB ILE 29 HB ILE 29 3.080 6.134 8.335
187 HG12 ILE 29 1HG1 ILE 29 3.011 4.952 10.697
188 HG13 ILE 29 2HG1 ILE 29 2.312 3.626 9.773
189 HG21 ILE 29 1HG2 ILE 29 1.762 6.749 10.411
190 HG22 ILE 29 2HG2 ILE 29 1.079 7.258 8.868
191 HG23 ILE 29 3HG2 ILE 29 0.419 5.852 9.703
192 HD11 ILE 29 3HD1 ILE 29 4.610 3.191 9.877
193 HD12 ILE 29 1HD1 ILE 29 4.329 3.820 8.254
194 HD13 ILE 29 2HD1 ILE 29 5.029 4.861 9.494
195 H SER 30 H SER 30 1.818 6.871 6.197
196 HA SER 30 HA SER 30 -0.587 8.159 6.577
197 HB2 SER 30 1HB SER 30 1.283 9.229 5.442
198 HB3 SER 30 2HB SER 30 1.130 8.116 4.083
199 HG SER 30 HG SER 30 -1.119 9.017 3.977
200 H HIS 31 H HIS 31 0.189 5.564 4.333
201 HA HIS 31 HA HIS 31 -2.268 5.670 2.898
202 HB2 HIS 31 1HB HIS 31 -0.429 4.637 1.802
203 HB3 HIS 31 2HB HIS 31 -0.130 3.559 3.163
204 HD1 HIS 31 HD1 HIS 31 -2.561 4.095 0.328
205 HD2 HIS 31 HD2 HIS 31 -1.525 1.187 3.109
206 HE1 HIS 31 HE1 HIS 31 -3.810 2.025 -0.365
207 H GLN 32 H GLN 32 -1.056 3.541 5.479
208 HA GLN 32 HA GLN 32 -3.174 1.834 5.770
209 HB2 GLN 32 1HB GLN 32 -1.598 3.085 8.026
210 HB3 GLN 32 2HB GLN 32 -2.523 1.592 8.117
211 HG2 GLN 32 1HG GLN 32 -1.003 0.744 6.251
212 HG3 GLN 32 2HG GLN 32 0.022 2.127 6.630
213 HE21 GLN 32 1HE2 GLN 32 -0.482 -1.058 7.238
214 HE22 GLN 32 2HE2 GLN 32 0.326 -1.197 8.758
215 H ARG 33 H ARG 33 -3.006 5.200 6.639
216 HA ARG 33 HA ARG 33 -5.052 5.451 8.470
217 HB2 ARG 33 1HB ARG 33 -4.532 7.372 6.196
218 HB3 ARG 33 2HB ARG 33 -5.269 7.743 7.749
219 HG2 ARG 33 1HG ARG 33 -2.427 6.828 7.362
220 HG3 ARG 33 2HG ARG 33 -2.938 8.502 7.587
221 HD2 ARG 33 1HD ARG 33 -3.779 6.462 9.587
222 HD3 ARG 33 2HD ARG 33 -2.112 7.036 9.614
223 HE ARG 33 HE ARG 33 -4.030 9.163 9.534
224 HH11 ARG 33 1HH1 ARG 33 -2.349 6.930 11.610
225 HH12 ARG 33 2HH1 ARG 33 -2.492 7.929 13.018
226 HH21 ARG 33 1HH2 ARG 33 -4.224 10.488 11.381
227 HH22 ARG 33 2HH2 ARG 33 -3.560 9.952 12.887
228 H THR 34 H THR 34 -5.246 5.062 4.980
229 HA THR 34 HA THR 34 -7.966 5.655 4.639
230 HB THR 34 HB THR 34 -7.839 4.545 2.525
231 HG1 THR 34 HG1 THR 34 -6.672 2.800 2.272
232 HG21 THR 34 3HG2 THR 34 -6.655 6.454 2.151
233 HG22 THR 34 1HG2 THR 34 -5.362 5.293 1.857
234 HG23 THR 34 2HG2 THR 34 -5.480 6.105 3.418
235 H HIS 35 H HIS 35 -6.321 2.682 5.568
236 HA HIS 35 HA HIS 35 -8.642 1.029 5.416
237 HB2 HIS 35 1HB HIS 35 -5.944 0.687 6.719
238 HB3 HIS 35 2HB HIS 35 -7.206 -0.535 6.842
239 HD1 HIS 35 HD1 HIS 35 -8.113 -1.380 4.374
240 HD2 HIS 35 HD2 HIS 35 -4.353 0.379 4.554
241 HE1 HIS 35 HE1 HIS 35 -6.938 -2.087 2.266
242 H ALA 36 H ALA 36 -7.046 2.841 7.986
243 HA ALA 36 HA ALA 36 -8.354 1.872 10.213
244 HB1 ALA 36 3HB ALA 36 -7.050 3.415 11.126
245 HB2 ALA 36 1HB ALA 36 -6.803 4.179 9.555
246 HB3 ALA 36 2HB ALA 36 -8.166 4.661 10.566
247 H GLY 37 H GLY 37 -10.503 1.377 9.944
248 HA2 GLY 37 1HA GLY 37 -12.341 3.598 10.150
249 HA3 GLY 37 2HA GLY 37 -12.506 2.672 8.666
250 H GLU 38 H GLU 38 -13.094 0.435 8.812
251 HA GLU 38 HA GLU 38 -14.511 -0.197 11.318
252 HB2 GLU 38 1HB GLU 38 -16.019 -1.591 9.870
253 HB3 GLU 38 2HB GLU 38 -16.126 0.142 9.595
254 HG2 GLU 38 1HG GLU 38 -14.594 -0.139 7.655
255 HG3 GLU 38 2HG GLU 38 -14.698 -1.882 7.891
256 H LYS 39 H LYS 39 -13.606 -1.785 12.427
257 HA LYS 39 HA LYS 39 -11.949 -3.754 11.022
258 HB2 LYS 39 1HB LYS 39 -11.012 -2.461 12.966
259 HB3 LYS 39 2HB LYS 39 -12.170 -3.289 13.999
260 HG2 LYS 39 1HG LYS 39 -11.155 -5.454 13.203
261 HG3 LYS 39 2HG LYS 39 -9.878 -4.484 12.467
262 HD2 LYS 39 1HD LYS 39 -9.745 -3.425 14.871
263 HD3 LYS 39 2HD LYS 39 -10.497 -4.950 15.348
264 HE2 LYS 39 1HE LYS 39 -8.195 -5.339 15.542
265 HE3 LYS 39 2HE LYS 39 -8.643 -6.081 14.006
266 HZ1 LYS 39 3HZ LYS 39 -6.752 -4.057 14.489
267 HZ2 LYS 39 1HZ LYS 39 -7.962 -3.434 13.484
268 HZ3 LYS 39 2HZ LYS 39 -7.121 -4.829 13.030
269 HA PRO 40 HA PRO 40 -15.083 -6.833 11.468
270 HB2 PRO 40 1HB PRO 40 -13.529 -9.013 11.015
271 HB3 PRO 40 2HB PRO 40 -14.042 -7.915 9.729
272 HG2 PRO 40 1HG PRO 40 -11.432 -8.031 11.191
273 HG3 PRO 40 2HG PRO 40 -11.734 -7.806 9.458
274 HD2 PRO 40 1HD PRO 40 -11.147 -5.745 11.114
275 HD3 PRO 40 2HD PRO 40 -12.211 -5.565 9.703
276 H SER 41 H SER 41 -11.968 -7.325 13.111
277 HA SER 41 HA SER 41 -13.057 -9.156 15.026
278 HB2 SER 41 1HB SER 41 -10.881 -9.204 15.989
279 HB3 SER 41 2HB SER 41 -10.634 -9.062 14.249
280 HG SER 41 HG SER 41 -9.313 -7.582 15.282
281 H GLY 42 H GLY 42 -12.964 -8.756 17.384
282 HA2 GLY 42 1HA GLY 42 -13.854 -6.003 17.972
283 HA3 GLY 42 2HA GLY 42 -14.435 -7.435 18.809
284 HA PRO 43 HA PRO 43 -9.948 -6.271 20.329
285 HB2 PRO 43 1HB PRO 43 -9.479 -3.598 20.256
286 HB3 PRO 43 2HB PRO 43 -9.032 -4.689 18.938
287 HG2 PRO 43 1HG PRO 43 -11.419 -2.899 19.188
288 HG3 PRO 43 2HG PRO 43 -10.378 -3.186 17.781
289 HD2 PRO 43 1HD PRO 43 -12.794 -4.373 18.072
290 HD3 PRO 43 2HD PRO 43 -11.436 -5.161 17.243
291 H SER 44 H SER 44 -9.263 -4.889 22.277
292 HA SER 44 HA SER 44 -11.455 -4.875 24.137
293 HB2 SER 44 1HB SER 44 -8.494 -4.539 24.315
294 HB3 SER 44 2HB SER 44 -9.481 -3.928 25.643
295 HG SER 44 HG SER 44 -8.765 -6.164 25.836
296 H SER 45 H SER 45 -9.019 -2.394 23.327
297 HA SER 45 HA SER 45 -10.697 -0.302 24.378
298 HB2 SER 45 1HB SER 45 -8.082 -0.128 22.860
299 HB3 SER 45 2HB SER 45 -8.864 1.200 23.717
300 HG SER 45 HG SER 45 -7.671 -1.129 24.775
301 H GLY 46 H GLY 46 -12.262 0.678 23.292
302 HA2 GLY 46 1HA GLY 46 -12.188 0.584 20.344
303 HA3 GLY 46 2HA GLY 46 -13.656 0.678 21.306
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -0.194 -18.233 -10.980
2 HA2 GLY 1 1HA GLY 1 0.342 -18.433 -8.701
3 HA3 GLY 1 2HA GLY 1 1.392 -17.117 -9.203
4 H SER 2 H SER 2 0.175 -14.911 -9.232
5 HA SER 2 HA SER 2 -0.813 -13.243 -8.040
6 HB2 SER 2 1HB SER 2 -2.877 -14.563 -8.382
7 HB3 SER 2 2HB SER 2 -2.536 -15.458 -6.901
8 HG SER 2 HG SER 2 -3.094 -13.766 -5.726
9 H SER 3 H SER 3 1.550 -14.299 -7.046
10 HA SER 3 HA SER 3 1.454 -13.392 -4.345
11 HB2 SER 3 1HB SER 3 0.630 -15.621 -3.888
12 HB3 SER 3 2HB SER 3 1.931 -16.340 -4.836
13 HG SER 3 HG SER 3 3.360 -15.236 -3.258
14 H GLY 4 H GLY 4 3.319 -12.388 -3.979
15 HA2 GLY 4 1HA GLY 4 5.722 -12.433 -3.810
16 HA3 GLY 4 2HA GLY 4 5.760 -13.438 -5.251
17 H SER 5 H SER 5 7.187 -10.953 -4.704
18 HA SER 5 HA SER 5 5.942 -9.081 -6.579
19 HB2 SER 5 1HB SER 5 6.812 -8.266 -4.366
20 HB3 SER 5 2HB SER 5 8.437 -8.674 -4.915
21 HG SER 5 HG SER 5 7.844 -7.259 -6.792
22 H SER 6 H SER 6 9.173 -10.474 -5.988
23 HA SER 6 HA SER 6 10.916 -10.915 -7.388
24 HB2 SER 6 1HB SER 6 8.583 -11.551 -9.204
25 HB3 SER 6 2HB SER 6 10.260 -11.909 -9.616
26 HG SER 6 HG SER 6 10.168 -13.585 -8.363
27 H GLY 7 H GLY 7 10.312 -8.208 -7.181
28 HA2 GLY 7 1HA GLY 7 10.918 -7.265 -9.917
29 HA3 GLY 7 2HA GLY 7 9.920 -6.347 -8.799
30 H THR 8 H THR 8 12.329 -5.474 -10.120
31 HA THR 8 HA THR 8 14.422 -5.465 -8.130
32 HB THR 8 HB THR 8 14.980 -5.462 -10.534
33 HG1 THR 8 HG1 THR 8 16.352 -3.410 -10.317
34 HG21 THR 8 3HG2 THR 8 13.721 -4.173 -11.864
35 HG22 THR 8 1HG2 THR 8 14.721 -2.827 -11.319
36 HG23 THR 8 2HG2 THR 8 13.186 -3.167 -10.519
37 H GLY 9 H GLY 9 12.158 -4.459 -6.972
38 HA2 GLY 9 1HA GLY 9 12.590 -1.541 -6.926
39 HA3 GLY 9 2HA GLY 9 11.099 -2.342 -6.452
40 H GLU 10 H GLU 10 12.687 -0.433 -4.941
41 HA GLU 10 HA GLU 10 13.565 -2.125 -2.698
42 HB2 GLU 10 1HB GLU 10 14.268 0.749 -3.321
43 HB3 GLU 10 2HB GLU 10 14.834 -0.154 -1.923
44 HG2 GLU 10 1HG GLU 10 15.370 -1.027 -4.744
45 HG3 GLU 10 2HG GLU 10 16.439 0.055 -3.855
46 H ASN 11 H ASN 11 11.383 -2.409 -1.982
47 HA ASN 11 HA ASN 11 10.305 -0.028 -0.621
48 HB2 ASN 11 1HB ASN 11 8.065 -1.386 -0.857
49 HB3 ASN 11 2HB ASN 11 8.652 -0.403 -2.195
50 HD21 ASN 11 1HD2 ASN 11 9.139 -1.352 -4.084
51 HD22 ASN 11 2HD2 ASN 11 9.036 -3.051 -4.381
52 HA PRO 12 HA PRO 12 11.346 -3.147 2.603
53 HB2 PRO 12 1HB PRO 12 12.149 -1.303 4.427
54 HB3 PRO 12 2HB PRO 12 13.219 -1.947 3.176
55 HG2 PRO 12 1HG PRO 12 11.707 0.636 3.230
56 HG3 PRO 12 2HG PRO 12 13.375 0.327 2.713
57 HD2 PRO 12 1HD PRO 12 11.332 0.606 0.957
58 HD3 PRO 12 2HD PRO 12 12.721 -0.455 0.645
59 H TYR 13 H TYR 13 9.072 -0.707 2.192
60 HA TYR 13 HA TYR 13 7.674 -1.514 4.657
61 HB2 TYR 13 1HB TYR 13 7.458 1.196 3.338
62 HB3 TYR 13 2HB TYR 13 6.759 0.703 4.876
63 HD1 TYR 13 HD1 TYR 13 8.276 0.249 6.819
64 HD2 TYR 13 HD2 TYR 13 9.684 1.997 3.204
65 HE1 TYR 13 HE1 TYR 13 10.287 1.042 7.992
66 HE2 TYR 13 HE2 TYR 13 11.699 2.793 4.367
67 HH TYR 13 HH TYR 13 12.888 1.703 6.944
68 H GLU 14 H GLU 14 6.171 -2.911 3.969
69 HA GLU 14 HA GLU 14 4.493 -2.106 1.682
70 HB2 GLU 14 1HB GLU 14 5.626 -4.737 2.481
71 HB3 GLU 14 2HB GLU 14 4.013 -4.733 1.782
72 HG2 GLU 14 1HG GLU 14 4.748 -4.091 -0.272
73 HG3 GLU 14 2HG GLU 14 6.133 -3.213 0.374
74 H CYS 15 H CYS 15 2.277 -2.292 1.862
75 HA CYS 15 HA CYS 15 1.241 -2.214 4.548
76 HB2 CYS 15 1HB CYS 15 0.461 -0.723 2.666
77 HB3 CYS 15 2HB CYS 15 -0.323 -2.134 1.964
78 H HIS 16 H HIS 16 0.962 -4.073 5.601
79 HA HIS 16 HA HIS 16 0.506 -6.570 4.329
80 HB2 HIS 16 1HB HIS 16 0.280 -7.472 6.564
81 HB3 HIS 16 2HB HIS 16 1.610 -6.318 6.543
82 HD1 HIS 16 HD1 HIS 16 -0.434 -7.264 8.960
83 HD2 HIS 16 HD2 HIS 16 -0.177 -3.587 7.043
84 HE1 HIS 16 HE1 HIS 16 -1.415 -5.598 10.567
85 H GLU 17 H GLU 17 -1.532 -3.994 4.851
86 HA GLU 17 HA GLU 17 -3.934 -5.455 5.458
87 HB2 GLU 17 1HB GLU 17 -3.689 -2.639 4.395
88 HB3 GLU 17 2HB GLU 17 -5.073 -3.344 5.218
89 HG2 GLU 17 1HG GLU 17 -3.433 -3.684 7.183
90 HG3 GLU 17 2HG GLU 17 -2.443 -2.491 6.346
91 H CYS 18 H CYS 18 -2.537 -3.929 2.578
92 HA CYS 18 HA CYS 18 -4.455 -5.460 0.945
93 HB2 CYS 18 1HB CYS 18 -4.351 -3.656 -0.724
94 HB3 CYS 18 2HB CYS 18 -4.946 -3.066 0.824
95 H GLY 19 H GLY 19 -1.205 -4.045 1.078
96 HA2 GLY 19 1HA GLY 19 0.574 -5.732 0.513
97 HA3 GLY 19 2HA GLY 19 -0.362 -6.029 -0.944
98 H LYS 20 H LYS 20 -0.226 -2.786 0.181
99 HA LYS 20 HA LYS 20 1.014 -1.888 -2.216
100 HB2 LYS 20 1HB LYS 20 -0.646 -0.699 -0.520
101 HB3 LYS 20 2HB LYS 20 0.859 -0.126 0.187
102 HG2 LYS 20 1HG LYS 20 1.491 0.942 -1.855
103 HG3 LYS 20 2HG LYS 20 0.129 0.216 -2.713
104 HD2 LYS 20 1HD LYS 20 -1.263 1.444 -0.839
105 HD3 LYS 20 2HD LYS 20 0.172 2.470 -0.765
106 HE2 LYS 20 1HE LYS 20 -0.068 2.615 -3.325
107 HE3 LYS 20 2HE LYS 20 -1.702 2.008 -3.061
108 HZ1 LYS 20 3HZ LYS 20 -0.573 4.612 -2.454
109 HZ2 LYS 20 1HZ LYS 20 -1.615 3.979 -1.281
110 HZ3 LYS 20 2HZ LYS 20 -2.157 4.187 -2.869
111 H ALA 21 H ALA 21 2.899 -0.285 -2.084
112 HA ALA 21 HA ALA 21 4.929 -1.145 -0.150
113 HB1 ALA 21 3HB ALA 21 5.690 -2.482 -1.832
114 HB2 ALA 21 1HB ALA 21 5.044 -1.442 -3.102
115 HB3 ALA 21 2HB ALA 21 6.523 -0.987 -2.256
116 H PHE 22 H PHE 22 6.347 0.427 0.473
117 HA PHE 22 HA PHE 22 6.245 3.008 -0.919
118 HB2 PHE 22 1HB PHE 22 6.159 2.809 2.090
119 HB3 PHE 22 2HB PHE 22 5.921 4.240 1.093
120 HD1 PHE 22 HD2 PHE 22 4.442 0.874 1.699
121 HD2 PHE 22 HD1 PHE 22 3.776 4.944 0.646
122 HE1 PHE 22 HE2 PHE 22 2.014 0.479 1.721
123 HE2 PHE 22 HE1 PHE 22 1.347 4.556 0.668
124 HZ PHE 22 HZ PHE 22 0.463 2.321 1.204
125 H SER 23 H SER 23 8.049 4.433 -0.385
126 HA SER 23 HA SER 23 10.511 2.973 -0.283
127 HB2 SER 23 1HB SER 23 9.876 5.225 -1.531
128 HB3 SER 23 2HB SER 23 10.453 5.950 -0.030
129 HG SER 23 HG SER 23 11.852 4.498 -1.968
130 H ARG 24 H ARG 24 8.997 5.417 1.816
131 HA ARG 24 HA ARG 24 10.862 4.639 3.953
132 HB2 ARG 24 1HB ARG 24 9.105 7.066 4.073
133 HB3 ARG 24 2HB ARG 24 10.640 6.769 4.878
134 HG2 ARG 24 1HG ARG 24 11.606 6.760 2.469
135 HG3 ARG 24 2HG ARG 24 10.112 7.606 2.064
136 HD2 ARG 24 1HD ARG 24 10.685 9.472 3.248
137 HD3 ARG 24 2HD ARG 24 11.655 8.568 4.410
138 HE ARG 24 HE ARG 24 13.487 8.840 3.051
139 HH11 ARG 24 1HH1 ARG 24 10.603 9.718 1.310
140 HH12 ARG 24 2HH1 ARG 24 11.464 10.393 -0.034
141 HH21 ARG 24 1HH2 ARG 24 14.631 9.725 1.288
142 HH22 ARG 24 2HH2 ARG 24 13.755 10.396 -0.046
143 H LYS 25 H LYS 25 9.932 4.733 6.190
144 HA LYS 25 HA LYS 25 7.796 2.929 6.433
145 HB2 LYS 25 1HB LYS 25 9.483 3.139 8.167
146 HB3 LYS 25 2HB LYS 25 9.005 4.804 8.474
147 HG2 LYS 25 1HG LYS 25 7.909 3.780 10.177
148 HG3 LYS 25 2HG LYS 25 6.663 3.669 8.932
149 HD2 LYS 25 1HD LYS 25 7.548 1.397 8.367
150 HD3 LYS 25 2HD LYS 25 8.608 1.523 9.773
151 HE2 LYS 25 1HE LYS 25 6.862 0.452 10.756
152 HE3 LYS 25 2HE LYS 25 6.303 2.111 10.962
153 HZ1 LYS 25 3HZ LYS 25 4.599 0.574 10.072
154 HZ2 LYS 25 1HZ LYS 25 5.539 0.375 8.679
155 HZ3 LYS 25 2HZ LYS 25 4.903 1.895 9.060
156 H TYR 26 H TYR 26 7.912 6.416 7.165
157 HA TYR 26 HA TYR 26 5.276 6.777 7.909
158 HB2 TYR 26 1HB TYR 26 5.724 9.010 7.838
159 HB3 TYR 26 2HB TYR 26 7.378 8.429 7.681
160 HD1 TYR 26 HD1 TYR 26 8.463 8.391 5.443
161 HD2 TYR 26 HD2 TYR 26 4.651 10.177 6.061
162 HE1 TYR 26 HE1 TYR 26 8.689 9.597 3.311
163 HE2 TYR 26 HE2 TYR 26 4.866 11.387 3.930
164 HH TYR 26 HH TYR 26 7.356 12.080 2.453
165 H GLN 27 H GLN 27 6.682 6.877 4.655
166 HA GLN 27 HA GLN 27 4.529 7.692 3.168
167 HB2 GLN 27 1HB GLN 27 6.589 5.585 2.512
168 HB3 GLN 27 2HB GLN 27 5.458 6.240 1.336
169 HG2 GLN 27 1HG GLN 27 6.417 8.531 2.031
170 HG3 GLN 27 2HG GLN 27 7.746 7.588 2.704
171 HE21 GLN 27 1HE2 GLN 27 8.396 9.318 0.812
172 HE22 GLN 27 2HE2 GLN 27 8.734 8.528 -0.687
173 H LEU 28 H LEU 28 4.965 4.676 4.825
174 HA LEU 28 HA LEU 28 2.762 3.384 3.450
175 HB2 LEU 28 1HB LEU 28 4.426 1.866 3.993
176 HB3 LEU 28 2HB LEU 28 4.701 2.584 5.579
177 HG LEU 28 HG LEU 28 2.744 1.550 6.470
178 HD11 LEU 28 1HD1 LEU 28 1.882 1.552 3.765
179 HD12 LEU 28 2HD1 LEU 28 0.963 1.153 5.216
180 HD13 LEU 28 3HD1 LEU 28 1.845 -0.109 4.356
181 HD21 LEU 28 3HD2 LEU 28 4.256 -0.099 6.722
182 HD22 LEU 28 1HD2 LEU 28 4.723 -0.077 5.021
183 HD23 LEU 28 2HD2 LEU 28 3.260 -0.924 5.522
184 H ILE 29 H ILE 29 3.474 4.603 6.708
185 HA ILE 29 HA ILE 29 1.133 3.927 7.998
186 HB ILE 29 HB ILE 29 2.977 6.270 8.318
187 HG12 ILE 29 1HG1 ILE 29 3.196 5.080 10.607
188 HG13 ILE 29 2HG1 ILE 29 2.368 3.738 9.825
189 HG21 ILE 29 1HG2 ILE 29 1.241 7.415 9.181
190 HG22 ILE 29 2HG2 ILE 29 0.264 5.966 9.410
191 HG23 ILE 29 3HG2 ILE 29 1.511 6.382 10.585
192 HD11 ILE 29 3HD1 ILE 29 4.871 3.611 9.869
193 HD12 ILE 29 1HD1 ILE 29 4.128 3.440 8.279
194 HD13 ILE 29 2HD1 ILE 29 4.884 4.965 8.740
195 H SER 30 H SER 30 1.797 6.913 6.175
196 HA SER 30 HA SER 30 -0.617 8.199 6.513
197 HB2 SER 30 1HB SER 30 1.229 9.299 5.405
198 HB3 SER 30 2HB SER 30 1.177 8.142 4.076
199 HG SER 30 HG SER 30 -0.883 8.957 3.540
200 H HIS 31 H HIS 31 0.188 5.553 4.353
201 HA HIS 31 HA HIS 31 -2.241 5.651 2.857
202 HB2 HIS 31 1HB HIS 31 -0.339 4.607 1.841
203 HB3 HIS 31 2HB HIS 31 -0.144 3.504 3.199
204 HD1 HIS 31 HD1 HIS 31 -2.529 4.191 0.340
205 HD2 HIS 31 HD2 HIS 31 -1.488 1.138 2.958
206 HE1 HIS 31 HE1 HIS 31 -3.775 2.161 -0.466
207 H GLN 32 H GLN 32 -1.077 3.588 5.511
208 HA GLN 32 HA GLN 32 -3.182 1.864 5.791
209 HB2 GLN 32 1HB GLN 32 -1.704 3.196 8.066
210 HB3 GLN 32 2HB GLN 32 -2.589 1.679 8.150
211 HG2 GLN 32 1HG GLN 32 -0.954 0.933 6.273
212 HG3 GLN 32 2HG GLN 32 0.030 2.274 6.856
213 HE21 GLN 32 1HE2 GLN 32 -0.318 -0.920 7.078
214 HE22 GLN 32 2HE2 GLN 32 0.262 -1.196 8.682
215 H ARG 33 H ARG 33 -3.002 5.223 6.819
216 HA ARG 33 HA ARG 33 -5.095 5.527 8.508
217 HB2 ARG 33 1HB ARG 33 -4.475 7.316 6.149
218 HB3 ARG 33 2HB ARG 33 -5.442 7.772 7.546
219 HG2 ARG 33 1HG ARG 33 -2.639 6.809 7.914
220 HG3 ARG 33 2HG ARG 33 -2.955 8.474 7.422
221 HD2 ARG 33 1HD ARG 33 -2.966 8.760 9.680
222 HD3 ARG 33 2HD ARG 33 -4.664 8.350 9.443
223 HE ARG 33 HE ARG 33 -4.296 6.301 10.461
224 HH11 ARG 33 1HH1 ARG 33 -1.295 8.008 10.006
225 HH12 ARG 33 2HH1 ARG 33 -0.390 6.957 11.044
226 HH21 ARG 33 1HH2 ARG 33 -3.114 4.911 11.830
227 HH22 ARG 33 2HH2 ARG 33 -1.424 5.195 12.080
228 H THR 34 H THR 34 -5.330 5.265 4.978
229 HA THR 34 HA THR 34 -8.074 5.654 4.709
230 HB THR 34 HB THR 34 -7.926 4.641 2.563
231 HG1 THR 34 HG1 THR 34 -5.383 3.545 3.119
232 HG21 THR 34 3HG2 THR 34 -5.315 5.416 2.084
233 HG22 THR 34 1HG2 THR 34 -5.774 6.364 3.498
234 HG23 THR 34 2HG2 THR 34 -6.735 6.459 2.022
235 H HIS 35 H HIS 35 -6.259 2.781 5.602
236 HA HIS 35 HA HIS 35 -8.444 0.967 5.402
237 HB2 HIS 35 1HB HIS 35 -5.736 0.859 6.699
238 HB3 HIS 35 2HB HIS 35 -6.909 -0.428 6.966
239 HD1 HIS 35 HD1 HIS 35 -7.805 -1.586 4.655
240 HD2 HIS 35 HD2 HIS 35 -4.244 0.546 4.456
241 HE1 HIS 35 HE1 HIS 35 -6.671 -2.366 2.551
242 H ALA 36 H ALA 36 -7.082 2.908 8.011
243 HA ALA 36 HA ALA 36 -8.394 1.842 10.196
244 HB1 ALA 36 3HB ALA 36 -6.987 4.258 9.587
245 HB2 ALA 36 1HB ALA 36 -8.409 4.631 10.563
246 HB3 ALA 36 2HB ALA 36 -7.219 3.466 11.146
247 H GLY 37 H GLY 37 -10.237 2.798 11.419
248 HA2 GLY 37 1HA GLY 37 -12.201 4.441 10.728
249 HA3 GLY 37 2HA GLY 37 -12.498 3.124 9.604
250 H GLU 38 H GLU 38 -14.549 2.789 10.579
251 HA GLU 38 HA GLU 38 -14.707 2.050 13.359
252 HB2 GLU 38 1HB GLU 38 -17.078 1.630 12.891
253 HB3 GLU 38 2HB GLU 38 -16.575 3.206 12.297
254 HG2 GLU 38 1HG GLU 38 -16.263 2.064 10.039
255 HG3 GLU 38 2HG GLU 38 -17.177 0.724 10.730
256 H LYS 39 H LYS 39 -13.763 0.184 13.915
257 HA LYS 39 HA LYS 39 -14.702 -2.256 12.611
258 HB2 LYS 39 1HB LYS 39 -11.887 -1.299 12.709
259 HB3 LYS 39 2HB LYS 39 -12.166 -3.015 12.979
260 HG2 LYS 39 1HG LYS 39 -13.216 -3.247 10.841
261 HG3 LYS 39 2HG LYS 39 -13.175 -1.501 10.581
262 HD2 LYS 39 1HD LYS 39 -10.712 -3.200 10.947
263 HD3 LYS 39 2HD LYS 39 -11.397 -2.793 9.372
264 HE2 LYS 39 1HE LYS 39 -10.321 -0.883 11.442
265 HE3 LYS 39 2HE LYS 39 -9.611 -1.260 9.873
266 HZ1 LYS 39 3HZ LYS 39 -10.775 0.829 9.774
267 HZ2 LYS 39 1HZ LYS 39 -12.200 0.116 10.341
268 HZ3 LYS 39 2HZ LYS 39 -11.590 -0.305 8.821
269 HA PRO 40 HA PRO 40 -14.911 -3.920 16.665
270 HB2 PRO 40 1HB PRO 40 -14.152 -6.500 16.292
271 HB3 PRO 40 2HB PRO 40 -15.703 -5.864 15.732
272 HG2 PRO 40 1HG PRO 40 -13.173 -6.312 14.196
273 HG3 PRO 40 2HG PRO 40 -14.845 -6.668 13.725
274 HD2 PRO 40 1HD PRO 40 -13.521 -4.475 12.849
275 HD3 PRO 40 2HD PRO 40 -15.275 -4.484 13.126
276 H SER 41 H SER 41 -12.008 -3.335 15.221
277 HA SER 41 HA SER 41 -10.341 -4.638 17.217
278 HB2 SER 41 1HB SER 41 -9.753 -2.995 14.760
279 HB3 SER 41 2HB SER 41 -8.489 -3.415 15.916
280 HG SER 41 HG SER 41 -9.380 -4.889 13.947
281 H GLY 42 H GLY 42 -9.614 -3.695 19.014
282 HA2 GLY 42 1HA GLY 42 -10.422 -0.980 19.603
283 HA3 GLY 42 2HA GLY 42 -9.632 -2.099 20.705
284 HA PRO 43 HA PRO 43 -6.652 1.216 19.167
285 HB2 PRO 43 1HB PRO 43 -6.198 2.377 21.579
286 HB3 PRO 43 2HB PRO 43 -7.492 2.894 20.492
287 HG2 PRO 43 1HG PRO 43 -7.633 1.109 22.891
288 HG3 PRO 43 2HG PRO 43 -8.733 2.410 22.399
289 HD2 PRO 43 1HD PRO 43 -9.286 -0.206 21.968
290 HD3 PRO 43 2HD PRO 43 -9.825 1.079 20.866
291 H SER 44 H SER 44 -4.386 1.418 19.783
292 HA SER 44 HA SER 44 -3.390 -1.076 20.938
293 HB2 SER 44 1HB SER 44 -2.611 -0.215 18.674
294 HB3 SER 44 2HB SER 44 -1.763 1.058 19.551
295 HG SER 44 HG SER 44 -0.780 -1.226 19.015
296 H SER 45 H SER 45 -3.476 -0.805 23.129
297 HA SER 45 HA SER 45 -3.038 1.408 24.657
298 HB2 SER 45 1HB SER 45 -2.534 -1.502 25.127
299 HB3 SER 45 2HB SER 45 -1.978 -0.340 26.331
300 HG SER 45 HG SER 45 -3.979 0.043 26.892
301 H GLY 46 H GLY 46 -1.193 2.123 25.933
302 HA2 GLY 46 1HA GLY 46 0.986 2.808 26.176
303 HA3 GLY 46 2HA GLY 46 1.460 1.328 25.355
Start of MODEL 13
1 H1 GLY 1 H GLY 1 5.307 -22.312 -17.836
2 HA2 GLY 1 1HA GLY 1 7.053 -22.305 -16.014
3 HA3 GLY 1 2HA GLY 1 7.255 -20.606 -16.414
4 H SER 2 H SER 2 6.722 -21.191 -13.855
5 HA SER 2 HA SER 2 3.838 -20.824 -13.474
6 HB2 SER 2 1HB SER 2 5.121 -22.602 -12.188
7 HB3 SER 2 2HB SER 2 5.908 -21.284 -11.321
8 HG SER 2 HG SER 2 3.339 -20.773 -11.246
9 H SER 3 H SER 3 3.189 -18.780 -13.467
10 HA SER 3 HA SER 3 4.868 -16.558 -13.038
11 HB2 SER 3 1HB SER 3 2.828 -15.225 -13.091
12 HB3 SER 3 2HB SER 3 2.754 -16.471 -14.337
13 HG SER 3 HG SER 3 1.003 -17.147 -13.418
14 H GLY 4 H GLY 4 4.275 -14.831 -11.348
15 HA2 GLY 4 1HA GLY 4 3.214 -14.750 -9.024
16 HA3 GLY 4 2HA GLY 4 4.196 -16.176 -8.725
17 H SER 5 H SER 5 6.607 -15.693 -9.599
18 HA SER 5 HA SER 5 7.831 -14.100 -7.738
19 HB2 SER 5 1HB SER 5 9.803 -14.069 -9.304
20 HB3 SER 5 2HB SER 5 9.128 -15.672 -9.015
21 HG SER 5 HG SER 5 8.083 -15.545 -11.007
22 H SER 6 H SER 6 7.702 -12.001 -7.353
23 HA SER 6 HA SER 6 8.165 -10.049 -9.378
24 HB2 SER 6 1HB SER 6 5.963 -8.873 -9.103
25 HB3 SER 6 2HB SER 6 5.853 -10.416 -9.948
26 HG SER 6 HG SER 6 5.495 -11.127 -7.546
27 H GLY 7 H GLY 7 7.949 -7.789 -8.469
28 HA2 GLY 7 1HA GLY 7 7.575 -6.670 -6.201
29 HA3 GLY 7 2HA GLY 7 8.731 -7.862 -5.626
30 H THR 8 H THR 8 8.455 -5.461 -8.249
31 HA THR 8 HA THR 8 11.322 -4.958 -8.069
32 HB THR 8 HB THR 8 10.307 -5.205 -10.304
33 HG1 THR 8 HG1 THR 8 11.232 -3.238 -11.151
34 HG21 THR 8 3HG2 THR 8 8.297 -3.564 -9.241
35 HG22 THR 8 1HG2 THR 8 8.415 -4.179 -10.889
36 HG23 THR 8 2HG2 THR 8 9.091 -2.601 -10.486
37 H GLY 9 H GLY 9 12.234 -3.012 -7.489
38 HA2 GLY 9 1HA GLY 9 12.057 -0.646 -7.031
39 HA3 GLY 9 2HA GLY 9 10.396 -0.917 -6.528
40 H GLU 10 H GLU 10 12.868 0.250 -5.195
41 HA GLU 10 HA GLU 10 13.392 -1.543 -3.002
42 HB2 GLU 10 1HB GLU 10 14.898 0.355 -4.078
43 HB3 GLU 10 2HB GLU 10 14.093 1.354 -2.877
44 HG2 GLU 10 1HG GLU 10 15.863 -1.025 -2.431
45 HG3 GLU 10 2HG GLU 10 16.101 0.637 -1.892
46 H ASN 11 H ASN 11 11.187 -1.829 -2.288
47 HA ASN 11 HA ASN 11 10.271 0.404 -0.598
48 HB2 ASN 11 1HB ASN 11 8.382 -1.605 -1.804
49 HB3 ASN 11 2HB ASN 11 8.015 -0.025 -1.119
50 HD21 ASN 11 1HD2 ASN 11 7.664 -1.415 -3.826
51 HD22 ASN 11 2HD2 ASN 11 8.195 -0.222 -4.958
52 HA PRO 12 HA PRO 12 11.134 -3.219 2.113
53 HB2 PRO 12 1HB PRO 12 12.096 -1.722 4.163
54 HB3 PRO 12 2HB PRO 12 13.098 -2.250 2.806
55 HG2 PRO 12 1HG PRO 12 11.781 0.398 3.271
56 HG3 PRO 12 2HG PRO 12 13.413 0.051 2.673
57 HD2 PRO 12 1HD PRO 12 11.372 0.726 1.027
58 HD3 PRO 12 2HD PRO 12 12.674 -0.374 0.531
59 H TYR 13 H TYR 13 9.034 -0.598 2.110
60 HA TYR 13 HA TYR 13 7.690 -1.555 4.553
61 HB2 TYR 13 1HB TYR 13 7.447 1.190 3.308
62 HB3 TYR 13 2HB TYR 13 6.764 0.661 4.842
63 HD1 TYR 13 HD2 TYR 13 9.818 1.692 3.104
64 HD2 TYR 13 HD1 TYR 13 8.161 0.428 6.814
65 HE1 TYR 13 HE2 TYR 13 11.854 2.440 4.262
66 HE2 TYR 13 HE1 TYR 13 10.193 1.173 7.982
67 HH TYR 13 HH TYR 13 12.787 1.505 7.134
68 H GLU 14 H GLU 14 6.157 -2.934 3.897
69 HA GLU 14 HA GLU 14 4.390 -2.083 1.697
70 HB2 GLU 14 1HB GLU 14 5.549 -4.726 2.405
71 HB3 GLU 14 2HB GLU 14 3.902 -4.714 1.790
72 HG2 GLU 14 1HG GLU 14 4.530 -4.043 -0.291
73 HG3 GLU 14 2HG GLU 14 5.949 -3.177 0.294
74 H CYS 15 H CYS 15 2.186 -2.237 1.967
75 HA CYS 15 HA CYS 15 1.232 -2.108 4.658
76 HB2 CYS 15 1HB CYS 15 0.311 -0.782 2.725
77 HB3 CYS 15 2HB CYS 15 -0.415 -2.272 2.130
78 H HIS 16 H HIS 16 0.532 -3.709 5.902
79 HA HIS 16 HA HIS 16 0.326 -6.386 4.817
80 HB2 HIS 16 1HB HIS 16 0.072 -7.081 7.163
81 HB3 HIS 16 2HB HIS 16 1.480 -6.047 6.948
82 HD1 HIS 16 HD1 HIS 16 1.583 -5.077 9.272
83 HD2 HIS 16 HD2 HIS 16 -2.148 -4.630 7.501
84 HE1 HIS 16 HE1 HIS 16 0.294 -3.549 10.798
85 H GLU 17 H GLU 17 -1.702 -4.158 4.330
86 HA GLU 17 HA GLU 17 -4.089 -5.603 5.276
87 HB2 GLU 17 1HB GLU 17 -3.890 -2.714 4.408
88 HB3 GLU 17 2HB GLU 17 -5.319 -3.513 5.049
89 HG2 GLU 17 1HG GLU 17 -4.011 -3.922 7.157
90 HG3 GLU 17 2HG GLU 17 -2.772 -2.856 6.498
91 H CYS 18 H CYS 18 -2.902 -3.659 2.535
92 HA CYS 18 HA CYS 18 -4.711 -5.172 0.776
93 HB2 CYS 18 1HB CYS 18 -4.455 -3.311 -0.816
94 HB3 CYS 18 2HB CYS 18 -5.077 -2.757 0.735
95 H GLY 19 H GLY 19 -1.408 -3.871 0.977
96 HA2 GLY 19 1HA GLY 19 0.327 -5.609 0.425
97 HA3 GLY 19 2HA GLY 19 -0.606 -5.876 -1.040
98 H LYS 20 H LYS 20 -0.353 -2.645 0.123
99 HA LYS 20 HA LYS 20 0.927 -1.779 -2.272
100 HB2 LYS 20 1HB LYS 20 -0.725 -0.545 -0.602
101 HB3 LYS 20 2HB LYS 20 0.784 -0.014 0.128
102 HG2 LYS 20 1HG LYS 20 1.347 1.296 -1.645
103 HG3 LYS 20 2HG LYS 20 0.491 0.282 -2.809
104 HD2 LYS 20 1HD LYS 20 -1.610 1.143 -1.428
105 HD3 LYS 20 2HD LYS 20 -0.519 2.490 -1.097
106 HE2 LYS 20 1HE LYS 20 -1.949 2.855 -3.085
107 HE3 LYS 20 2HE LYS 20 -0.225 2.895 -3.452
108 HZ1 LYS 20 3HZ LYS 20 -1.167 0.261 -3.733
109 HZ2 LYS 20 1HZ LYS 20 -0.518 1.281 -4.916
110 HZ3 LYS 20 2HZ LYS 20 -2.182 1.290 -4.612
111 H ALA 21 H ALA 21 2.826 -0.141 -2.019
112 HA ALA 21 HA ALA 21 4.813 -1.099 -0.094
113 HB1 ALA 21 3HB ALA 21 4.892 -1.522 -2.992
114 HB2 ALA 21 1HB ALA 21 6.366 -0.832 -2.312
115 HB3 ALA 21 2HB ALA 21 5.743 -2.363 -1.696
116 H PHE 22 H PHE 22 6.385 0.401 0.458
117 HA PHE 22 HA PHE 22 6.316 3.012 -0.857
118 HB2 PHE 22 1HB PHE 22 6.129 2.739 2.146
119 HB3 PHE 22 2HB PHE 22 6.046 4.223 1.201
120 HD1 PHE 22 HD2 PHE 22 4.285 0.989 1.720
121 HD2 PHE 22 HD1 PHE 22 3.991 5.077 0.570
122 HE1 PHE 22 HE2 PHE 22 1.835 0.781 1.619
123 HE2 PHE 22 HE1 PHE 22 1.541 4.876 0.468
124 HZ PHE 22 HZ PHE 22 0.460 2.726 0.992
125 H SER 23 H SER 23 8.163 4.352 -0.370
126 HA SER 23 HA SER 23 10.572 2.821 -0.187
127 HB2 SER 23 1HB SER 23 10.030 5.063 -1.495
128 HB3 SER 23 2HB SER 23 10.605 5.804 -0.002
129 HG SER 23 HG SER 23 12.000 4.049 -1.731
130 H ARG 24 H ARG 24 9.099 5.350 1.838
131 HA ARG 24 HA ARG 24 10.946 4.621 4.002
132 HB2 ARG 24 1HB ARG 24 9.105 6.991 4.074
133 HB3 ARG 24 2HB ARG 24 10.632 6.752 4.913
134 HG2 ARG 24 1HG ARG 24 11.662 6.756 2.541
135 HG3 ARG 24 2HG ARG 24 10.142 7.518 2.068
136 HD2 ARG 24 1HD ARG 24 10.590 9.439 3.211
137 HD3 ARG 24 2HD ARG 24 11.544 8.612 4.441
138 HE ARG 24 HE ARG 24 12.490 9.690 1.931
139 HH11 ARG 24 1HH1 ARG 24 13.125 7.552 4.604
140 HH12 ARG 24 2HH1 ARG 24 14.841 7.553 4.366
141 HH21 ARG 24 1HH2 ARG 24 14.748 9.700 1.608
142 HH22 ARG 24 2HH2 ARG 24 15.763 8.775 2.662
143 H LYS 25 H LYS 25 9.890 4.949 6.257
144 HA LYS 25 HA LYS 25 7.826 3.004 6.496
145 HB2 LYS 25 1HB LYS 25 9.456 3.160 8.245
146 HB3 LYS 25 2HB LYS 25 9.111 4.866 8.495
147 HG2 LYS 25 1HG LYS 25 7.968 3.973 10.247
148 HG3 LYS 25 2HG LYS 25 6.697 3.951 9.022
149 HD2 LYS 25 1HD LYS 25 8.474 1.579 9.210
150 HD3 LYS 25 2HD LYS 25 7.286 1.817 10.494
151 HE2 LYS 25 1HE LYS 25 5.487 1.823 8.910
152 HE3 LYS 25 2HE LYS 25 6.615 1.825 7.555
153 HZ1 LYS 25 3HZ LYS 25 5.862 -0.374 9.343
154 HZ2 LYS 25 1HZ LYS 25 7.419 -0.372 8.679
155 HZ3 LYS 25 2HZ LYS 25 6.066 -0.374 7.664
156 H TYR 26 H TYR 26 7.923 6.503 7.159
157 HA TYR 26 HA TYR 26 5.271 6.829 7.922
158 HB2 TYR 26 1HB TYR 26 5.703 9.066 7.883
159 HB3 TYR 26 2HB TYR 26 7.363 8.498 7.743
160 HD1 TYR 26 HD1 TYR 26 8.352 8.297 5.390
161 HD2 TYR 26 HD2 TYR 26 4.777 10.445 6.235
162 HE1 TYR 26 HE1 TYR 26 8.600 9.530 3.276
163 HE2 TYR 26 HE2 TYR 26 5.015 11.683 4.123
164 HH TYR 26 HH TYR 26 7.776 11.112 1.960
165 H GLN 27 H GLN 27 6.714 6.812 4.699
166 HA GLN 27 HA GLN 27 4.586 7.691 3.178
167 HB2 GLN 27 1HB GLN 27 6.672 5.597 2.575
168 HB3 GLN 27 2HB GLN 27 5.529 6.183 1.374
169 HG2 GLN 27 1HG GLN 27 6.457 8.527 2.119
170 HG3 GLN 27 2HG GLN 27 7.842 7.562 2.628
171 HE21 GLN 27 1HE2 GLN 27 9.011 8.773 1.019
172 HE22 GLN 27 2HE2 GLN 27 8.945 8.283 -0.636
173 H LEU 28 H LEU 28 5.014 4.644 4.801
174 HA LEU 28 HA LEU 28 2.801 3.384 3.420
175 HB2 LEU 28 1HB LEU 28 4.429 1.836 3.951
176 HB3 LEU 28 2HB LEU 28 4.747 2.559 5.527
177 HG LEU 28 HG LEU 28 2.706 1.598 6.413
178 HD11 LEU 28 1HD1 LEU 28 2.266 0.816 3.563
179 HD12 LEU 28 2HD1 LEU 28 1.149 1.560 4.707
180 HD13 LEU 28 3HD1 LEU 28 1.570 -0.145 4.868
181 HD21 LEU 28 3HD2 LEU 28 3.469 -0.902 5.405
182 HD22 LEU 28 1HD2 LEU 28 4.012 -0.131 6.895
183 HD23 LEU 28 2HD2 LEU 28 4.930 0.087 5.405
184 H ILE 29 H ILE 29 3.513 4.518 6.713
185 HA ILE 29 HA ILE 29 1.166 3.860 7.983
186 HB ILE 29 HB ILE 29 3.033 6.179 8.330
187 HG12 ILE 29 1HG1 ILE 29 3.209 4.989 10.617
188 HG13 ILE 29 2HG1 ILE 29 2.352 3.664 9.838
189 HG21 ILE 29 1HG2 ILE 29 1.572 6.365 10.571
190 HG22 ILE 29 2HG2 ILE 29 1.272 7.344 9.136
191 HG23 ILE 29 3HG2 ILE 29 0.309 5.897 9.433
192 HD11 ILE 29 3HD1 ILE 29 4.853 4.807 8.658
193 HD12 ILE 29 1HD1 ILE 29 4.902 3.576 9.919
194 HD13 ILE 29 2HD1 ILE 29 4.113 3.231 8.380
195 H SER 30 H SER 30 1.842 6.847 6.167
196 HA SER 30 HA SER 30 -0.559 8.153 6.519
197 HB2 SER 30 1HB SER 30 1.470 9.051 5.336
198 HB3 SER 30 2HB SER 30 0.997 8.106 3.925
199 HG SER 30 HG SER 30 -0.920 9.298 3.829
200 H HIS 31 H HIS 31 0.222 5.532 4.309
201 HA HIS 31 HA HIS 31 -2.207 5.639 2.835
202 HB2 HIS 31 1HB HIS 31 -0.352 4.554 1.806
203 HB3 HIS 31 2HB HIS 31 -0.119 3.490 3.189
204 HD1 HIS 31 HD1 HIS 31 -2.443 4.038 0.272
205 HD2 HIS 31 HD2 HIS 31 -1.580 1.156 3.137
206 HE1 HIS 31 HE1 HIS 31 -3.725 1.990 -0.427
207 H GLN 32 H GLN 32 -1.077 3.499 5.449
208 HA GLN 32 HA GLN 32 -3.236 1.854 5.739
209 HB2 GLN 32 1HB GLN 32 -1.683 3.101 8.013
210 HB3 GLN 32 2HB GLN 32 -2.621 1.616 8.089
211 HG2 GLN 32 1HG GLN 32 -1.065 0.765 6.243
212 HG3 GLN 32 2HG GLN 32 -0.034 2.129 6.674
213 HE21 GLN 32 1HE2 GLN 32 -0.635 -1.059 7.237
214 HE22 GLN 32 2HE2 GLN 32 0.136 -1.229 8.773
215 H ARG 33 H ARG 33 -3.007 5.227 6.570
216 HA ARG 33 HA ARG 33 -5.029 5.594 8.378
217 HB2 ARG 33 1HB ARG 33 -4.498 7.353 5.977
218 HB3 ARG 33 2HB ARG 33 -5.305 7.836 7.463
219 HG2 ARG 33 1HG ARG 33 -2.457 6.875 7.344
220 HG3 ARG 33 2HG ARG 33 -2.932 8.573 7.268
221 HD2 ARG 33 1HD ARG 33 -4.139 8.202 9.455
222 HD3 ARG 33 2HD ARG 33 -3.333 6.636 9.536
223 HE ARG 33 HE ARG 33 -1.284 8.355 9.168
224 HH11 ARG 33 1HH1 ARG 33 -3.937 8.263 11.420
225 HH12 ARG 33 2HH1 ARG 33 -3.060 9.057 12.686
226 HH21 ARG 33 1HH2 ARG 33 -0.119 9.401 10.827
227 HH22 ARG 33 2HH2 ARG 33 -0.889 9.704 12.347
228 H THR 34 H THR 34 -5.314 5.043 4.910
229 HA THR 34 HA THR 34 -8.051 5.589 4.630
230 HB THR 34 HB THR 34 -7.971 4.417 2.553
231 HG1 THR 34 HG1 THR 34 -5.606 3.190 3.569
232 HG21 THR 34 3HG2 THR 34 -6.787 6.255 1.988
233 HG22 THR 34 1HG2 THR 34 -5.440 5.123 1.872
234 HG23 THR 34 2HG2 THR 34 -5.669 6.075 3.340
235 H HIS 35 H HIS 35 -6.338 2.649 5.565
236 HA HIS 35 HA HIS 35 -8.657 0.987 5.576
237 HB2 HIS 35 1HB HIS 35 -5.910 0.672 6.786
238 HB3 HIS 35 2HB HIS 35 -7.161 -0.560 6.923
239 HD1 HIS 35 HD1 HIS 35 -8.079 -1.456 4.505
240 HD2 HIS 35 HD2 HIS 35 -4.391 0.457 4.549
241 HE1 HIS 35 HE1 HIS 35 -6.950 -2.122 2.359
242 H ALA 36 H ALA 36 -6.891 2.796 8.048
243 HA ALA 36 HA ALA 36 -8.114 1.892 10.342
244 HB1 ALA 36 3HB ALA 36 -7.855 4.686 10.637
245 HB2 ALA 36 1HB ALA 36 -6.749 3.424 11.180
246 HB3 ALA 36 2HB ALA 36 -6.545 4.150 9.585
247 H GLY 37 H GLY 37 -9.225 4.517 8.204
248 HA2 GLY 37 1HA GLY 37 -11.797 4.511 9.631
249 HA3 GLY 37 2HA GLY 37 -11.209 5.801 8.592
250 H GLU 38 H GLU 38 -12.852 5.930 7.148
251 HA GLU 38 HA GLU 38 -14.138 5.409 5.345
252 HB2 GLU 38 1HB GLU 38 -11.842 3.530 5.102
253 HB3 GLU 38 2HB GLU 38 -13.251 3.224 4.096
254 HG2 GLU 38 1HG GLU 38 -13.084 5.481 3.176
255 HG3 GLU 38 2HG GLU 38 -11.667 5.783 4.180
256 H LYS 39 H LYS 39 -15.187 4.625 7.715
257 HA LYS 39 HA LYS 39 -16.450 2.046 7.055
258 HB2 LYS 39 1HB LYS 39 -14.873 2.056 9.072
259 HB3 LYS 39 2HB LYS 39 -16.078 3.058 9.869
260 HG2 LYS 39 1HG LYS 39 -17.729 1.306 9.655
261 HG3 LYS 39 2HG LYS 39 -16.587 0.307 8.753
262 HD2 LYS 39 1HD LYS 39 -15.077 0.492 10.808
263 HD3 LYS 39 2HD LYS 39 -16.505 1.096 11.652
264 HE2 LYS 39 1HE LYS 39 -16.328 -1.544 10.203
265 HE3 LYS 39 2HE LYS 39 -16.169 -1.333 11.946
266 HZ1 LYS 39 3HZ LYS 39 -18.394 -0.719 12.147
267 HZ2 LYS 39 1HZ LYS 39 -18.433 -2.002 11.044
268 HZ3 LYS 39 2HZ LYS 39 -18.571 -0.409 10.493
269 HA PRO 40 HA PRO 40 -20.224 4.332 7.060
270 HB2 PRO 40 1HB PRO 40 -21.942 2.241 7.270
271 HB3 PRO 40 2HB PRO 40 -21.074 2.625 5.779
272 HG2 PRO 40 1HG PRO 40 -20.442 0.571 7.863
273 HG3 PRO 40 2HG PRO 40 -20.382 0.428 6.096
274 HD2 PRO 40 1HD PRO 40 -18.167 0.829 7.602
275 HD3 PRO 40 2HD PRO 40 -18.333 1.473 5.956
276 H SER 41 H SER 41 -18.846 2.992 9.704
277 HA SER 41 HA SER 41 -20.527 2.405 11.668
278 HB2 SER 41 1HB SER 41 -18.226 4.335 11.685
279 HB3 SER 41 2HB SER 41 -19.153 4.051 13.158
280 HG SER 41 HG SER 41 -18.538 1.943 13.147
281 H GLY 42 H GLY 42 -19.857 5.843 10.957
282 HA2 GLY 42 1HA GLY 42 -22.604 6.437 11.875
283 HA3 GLY 42 2HA GLY 42 -21.236 7.493 12.193
284 HA PRO 43 HA PRO 43 -22.606 7.781 7.518
285 HB2 PRO 43 1HB PRO 43 -25.289 7.492 7.216
286 HB3 PRO 43 2HB PRO 43 -24.154 6.146 7.058
287 HG2 PRO 43 1HG PRO 43 -25.860 6.921 9.393
288 HG3 PRO 43 2HG PRO 43 -25.546 5.310 8.723
289 HD2 PRO 43 1HD PRO 43 -24.281 6.243 10.928
290 HD3 PRO 43 2HD PRO 43 -23.507 5.129 9.782
291 H SER 44 H SER 44 -22.146 9.942 7.820
292 HA SER 44 HA SER 44 -24.369 11.650 8.726
293 HB2 SER 44 1HB SER 44 -22.594 13.364 9.176
294 HB3 SER 44 2HB SER 44 -22.449 11.913 10.166
295 HG SER 44 HG SER 44 -20.879 11.176 8.605
296 H SER 45 H SER 45 -21.507 11.910 6.607
297 HA SER 45 HA SER 45 -23.131 13.515 4.755
298 HB2 SER 45 1HB SER 45 -21.073 14.454 3.926
299 HB3 SER 45 2HB SER 45 -21.030 14.531 5.688
300 HG SER 45 HG SER 45 -19.347 13.282 5.663
301 H GLY 46 H GLY 46 -23.592 10.809 4.668
302 HA2 GLY 46 1HA GLY 46 -22.902 10.229 1.938
303 HA3 GLY 46 2HA GLY 46 -22.100 9.164 3.084
Start of MODEL 14
1 H1 GLY 1 H GLY 1 6.389 -21.975 4.712
2 HA2 GLY 1 1HA GLY 1 7.214 -24.526 5.112
3 HA3 GLY 1 2HA GLY 1 5.742 -24.736 4.174
4 H SER 2 H SER 2 5.704 -24.164 2.012
5 HA SER 2 HA SER 2 7.870 -24.583 0.448
6 HB2 SER 2 1HB SER 2 6.690 -23.574 -1.373
7 HB3 SER 2 2HB SER 2 5.472 -24.277 -0.309
8 HG SER 2 HG SER 2 5.585 -21.807 -1.136
9 H SER 3 H SER 3 9.309 -23.244 -0.768
10 HA SER 3 HA SER 3 9.913 -20.683 0.561
11 HB2 SER 3 1HB SER 3 11.895 -22.551 -0.759
12 HB3 SER 3 2HB SER 3 12.269 -21.078 0.136
13 HG SER 3 HG SER 3 10.895 -22.426 1.817
14 H GLY 4 H GLY 4 9.445 -19.020 -0.709
15 HA2 GLY 4 1HA GLY 4 10.263 -19.129 -3.525
16 HA3 GLY 4 2HA GLY 4 8.593 -18.726 -3.155
17 H SER 5 H SER 5 9.182 -16.751 -4.372
18 HA SER 5 HA SER 5 11.051 -14.885 -3.409
19 HB2 SER 5 1HB SER 5 10.024 -13.308 -4.884
20 HB3 SER 5 2HB SER 5 9.925 -14.879 -5.679
21 HG SER 5 HG SER 5 7.942 -13.714 -5.754
22 H SER 6 H SER 6 10.922 -13.223 -1.972
23 HA SER 6 HA SER 6 8.488 -13.124 -0.314
24 HB2 SER 6 1HB SER 6 11.395 -12.723 0.376
25 HB3 SER 6 2HB SER 6 10.105 -12.140 1.428
26 HG SER 6 HG SER 6 10.127 -14.097 2.185
27 H GLY 7 H GLY 7 11.035 -11.176 -1.810
28 HA2 GLY 7 1HA GLY 7 9.179 -8.987 -2.156
29 HA3 GLY 7 2HA GLY 7 10.485 -8.646 -1.030
30 H THR 8 H THR 8 9.534 -8.384 -4.178
31 HA THR 8 HA THR 8 12.297 -8.410 -5.194
32 HB THR 8 HB THR 8 10.899 -9.850 -6.509
33 HG1 THR 8 HG1 THR 8 12.297 -8.022 -7.522
34 HG21 THR 8 3HG2 THR 8 8.901 -7.873 -5.973
35 HG22 THR 8 1HG2 THR 8 8.707 -9.483 -6.665
36 HG23 THR 8 2HG2 THR 8 9.035 -8.105 -7.716
37 H GLY 9 H GLY 9 9.758 -6.371 -4.258
38 HA2 GLY 9 1HA GLY 9 10.481 -4.181 -6.023
39 HA3 GLY 9 2HA GLY 9 9.246 -4.152 -4.774
40 H GLU 10 H GLU 10 11.368 -2.211 -5.385
41 HA GLU 10 HA GLU 10 13.273 -2.413 -3.231
42 HB2 GLU 10 1HB GLU 10 12.693 -0.372 -5.353
43 HB3 GLU 10 2HB GLU 10 13.752 0.024 -4.007
44 HG2 GLU 10 1HG GLU 10 14.847 -0.793 -6.140
45 HG3 GLU 10 2HG GLU 10 15.342 -1.567 -4.636
46 H ASN 11 H ASN 11 10.733 -2.562 -2.188
47 HA ASN 11 HA ASN 11 10.553 -0.024 -0.711
48 HB2 ASN 11 1HB ASN 11 8.200 -1.729 -1.558
49 HB3 ASN 11 2HB ASN 11 8.122 -0.224 -0.645
50 HD21 ASN 11 1HD2 ASN 11 8.754 1.728 -1.703
51 HD22 ASN 11 2HD2 ASN 11 8.623 1.866 -3.420
52 HA PRO 12 HA PRO 12 11.272 -3.206 2.439
53 HB2 PRO 12 1HB PRO 12 12.190 -1.452 4.296
54 HB3 PRO 12 2HB PRO 12 13.204 -2.095 2.999
55 HG2 PRO 12 1HG PRO 12 11.794 0.540 3.171
56 HG3 PRO 12 2HG PRO 12 13.435 0.184 2.601
57 HD2 PRO 12 1HD PRO 12 11.362 0.595 0.908
58 HD3 PRO 12 2HD PRO 12 12.701 -0.508 0.529
59 H TYR 13 H TYR 13 9.071 -0.691 2.148
60 HA TYR 13 HA TYR 13 7.722 -1.495 4.641
61 HB2 TYR 13 1HB TYR 13 7.551 1.234 3.352
62 HB3 TYR 13 2HB TYR 13 6.858 0.744 4.895
63 HD1 TYR 13 HD1 TYR 13 8.368 0.262 6.822
64 HD2 TYR 13 HD2 TYR 13 9.817 1.933 3.187
65 HE1 TYR 13 HE1 TYR 13 10.417 0.982 7.977
66 HE2 TYR 13 HE2 TYR 13 11.870 2.656 4.331
67 HH TYR 13 HH TYR 13 13.177 1.866 6.443
68 H GLU 14 H GLU 14 6.224 -2.899 3.914
69 HA GLU 14 HA GLU 14 4.478 -2.008 1.713
70 HB2 GLU 14 1HB GLU 14 5.601 -4.664 2.426
71 HB3 GLU 14 2HB GLU 14 3.957 -4.636 1.804
72 HG2 GLU 14 1HG GLU 14 4.601 -3.980 -0.275
73 HG3 GLU 14 2HG GLU 14 6.018 -3.114 0.314
74 H CYS 15 H CYS 15 2.248 -2.264 1.921
75 HA CYS 15 HA CYS 15 1.278 -2.131 4.631
76 HB2 CYS 15 1HB CYS 15 0.449 -0.722 2.671
77 HB3 CYS 15 2HB CYS 15 -0.400 -2.165 2.125
78 H HIS 16 H HIS 16 1.018 -3.953 5.743
79 HA HIS 16 HA HIS 16 0.572 -6.491 4.540
80 HB2 HIS 16 1HB HIS 16 0.314 -7.304 6.851
81 HB3 HIS 16 2HB HIS 16 1.739 -6.285 6.678
82 HD1 HIS 16 HD1 HIS 16 1.944 -5.246 8.932
83 HD2 HIS 16 HD2 HIS 16 -1.930 -5.026 7.446
84 HE1 HIS 16 HE1 HIS 16 0.674 -3.823 10.572
85 H GLU 17 H GLU 17 -1.470 -3.959 4.830
86 HA GLU 17 HA GLU 17 -3.849 -5.428 5.598
87 HB2 GLU 17 1HB GLU 17 -3.563 -2.606 4.550
88 HB3 GLU 17 2HB GLU 17 -5.021 -3.307 5.238
89 HG2 GLU 17 1HG GLU 17 -3.487 -3.727 7.310
90 HG3 GLU 17 2HG GLU 17 -2.512 -2.447 6.589
91 H CYS 18 H CYS 18 -2.631 -3.793 2.682
92 HA CYS 18 HA CYS 18 -4.531 -5.395 1.099
93 HB2 CYS 18 1HB CYS 18 -4.373 -3.603 -0.614
94 HB3 CYS 18 2HB CYS 18 -5.039 -3.034 0.913
95 H GLY 19 H GLY 19 -1.284 -3.945 1.073
96 HA2 GLY 19 1HA GLY 19 0.478 -5.683 0.528
97 HA3 GLY 19 2HA GLY 19 -0.490 -5.987 -0.907
98 H LYS 20 H LYS 20 -0.194 -2.747 0.272
99 HA LYS 20 HA LYS 20 1.006 -1.897 -2.191
100 HB2 LYS 20 1HB LYS 20 -0.702 -0.645 -0.675
101 HB3 LYS 20 2HB LYS 20 0.720 -0.144 0.229
102 HG2 LYS 20 1HG LYS 20 1.558 1.109 -1.537
103 HG3 LYS 20 2HG LYS 20 0.572 0.262 -2.732
104 HD2 LYS 20 1HD LYS 20 -1.397 1.286 -1.280
105 HD3 LYS 20 2HD LYS 20 -0.154 2.474 -0.882
106 HE2 LYS 20 1HE LYS 20 -0.589 1.719 -3.735
107 HE3 LYS 20 2HE LYS 20 -1.730 2.814 -2.954
108 HZ1 LYS 20 3HZ LYS 20 0.174 4.233 -2.353
109 HZ2 LYS 20 1HZ LYS 20 -0.020 4.078 -4.026
110 HZ3 LYS 20 2HZ LYS 20 1.199 3.214 -3.234
111 H ALA 21 H ALA 21 2.877 -0.265 -2.054
112 HA ALA 21 HA ALA 21 4.892 -1.110 -0.094
113 HB1 ALA 21 3HB ALA 21 4.979 -1.506 -3.005
114 HB2 ALA 21 1HB ALA 21 6.442 -0.822 -2.293
115 HB3 ALA 21 2HB ALA 21 5.817 -2.367 -1.714
116 H PHE 22 H PHE 22 6.397 0.445 0.463
117 HA PHE 22 HA PHE 22 6.247 3.046 -0.869
118 HB2 PHE 22 1HB PHE 22 6.085 2.789 2.136
119 HB3 PHE 22 2HB PHE 22 5.932 4.257 1.177
120 HD1 PHE 22 HD2 PHE 22 4.314 0.955 1.732
121 HD2 PHE 22 HD1 PHE 22 3.837 5.021 0.566
122 HE1 PHE 22 HE2 PHE 22 1.875 0.643 1.654
123 HE2 PHE 22 HE1 PHE 22 1.397 4.716 0.487
124 HZ PHE 22 HZ PHE 22 0.413 2.525 1.030
125 H SER 23 H SER 23 8.055 4.437 -0.420
126 HA SER 23 HA SER 23 10.511 2.989 -0.229
127 HB2 SER 23 1HB SER 23 10.085 5.986 -0.255
128 HB3 SER 23 2HB SER 23 11.590 5.137 -0.608
129 HG SER 23 HG SER 23 10.644 5.600 -2.552
130 H ARG 24 H ARG 24 8.968 5.479 1.793
131 HA ARG 24 HA ARG 24 10.815 4.764 3.967
132 HB2 ARG 24 1HB ARG 24 9.037 7.187 3.965
133 HB3 ARG 24 2HB ARG 24 10.525 6.914 4.862
134 HG2 ARG 24 1HG ARG 24 11.534 6.790 2.414
135 HG3 ARG 24 2HG ARG 24 10.127 7.795 2.063
136 HD2 ARG 24 1HD ARG 24 10.873 9.533 3.366
137 HD3 ARG 24 2HD ARG 24 11.831 8.480 4.407
138 HE ARG 24 HE ARG 24 13.075 8.322 1.996
139 HH11 ARG 24 1HH1 ARG 24 12.129 10.949 4.075
140 HH12 ARG 24 2HH1 ARG 24 13.429 11.982 3.578
141 HH21 ARG 24 1HH2 ARG 24 14.790 9.672 1.334
142 HH22 ARG 24 2HH2 ARG 24 14.941 11.255 2.018
143 H LYS 25 H LYS 25 9.961 4.616 6.134
144 HA LYS 25 HA LYS 25 7.779 2.916 6.381
145 HB2 LYS 25 1HB LYS 25 9.515 3.117 8.093
146 HB3 LYS 25 2HB LYS 25 8.977 4.749 8.467
147 HG2 LYS 25 1HG LYS 25 8.117 3.314 10.146
148 HG3 LYS 25 2HG LYS 25 6.764 3.781 9.114
149 HD2 LYS 25 1HD LYS 25 6.756 1.671 8.024
150 HD3 LYS 25 2HD LYS 25 8.306 1.221 8.740
151 HE2 LYS 25 1HE LYS 25 7.378 0.728 10.771
152 HE3 LYS 25 2HE LYS 25 6.057 1.877 10.569
153 HZ1 LYS 25 3HZ LYS 25 6.310 -0.840 9.435
154 HZ2 LYS 25 1HZ LYS 25 5.229 0.290 8.789
155 HZ3 LYS 25 2HZ LYS 25 5.069 -0.212 10.396
156 H TYR 26 H TYR 26 7.947 6.405 7.069
157 HA TYR 26 HA TYR 26 5.324 6.788 7.886
158 HB2 TYR 26 1HB TYR 26 5.776 9.027 7.783
159 HB3 TYR 26 2HB TYR 26 7.424 8.420 7.667
160 HD1 TYR 26 HD1 TYR 26 8.589 8.402 5.491
161 HD2 TYR 26 HD2 TYR 26 4.727 10.131 5.934
162 HE1 TYR 26 HE1 TYR 26 8.879 9.582 3.353
163 HE2 TYR 26 HE2 TYR 26 5.006 11.316 3.796
164 HH TYR 26 HH TYR 26 6.271 11.530 1.961
165 H GLN 27 H GLN 27 6.683 6.821 4.616
166 HA GLN 27 HA GLN 27 4.503 7.679 3.168
167 HB2 GLN 27 1HB GLN 27 6.596 5.618 2.483
168 HB3 GLN 27 2HB GLN 27 5.409 6.196 1.322
169 HG2 GLN 27 1HG GLN 27 6.330 8.548 2.073
170 HG3 GLN 27 2HG GLN 27 7.745 7.590 2.505
171 HE21 GLN 27 1HE2 GLN 27 8.623 9.084 0.807
172 HE22 GLN 27 2HE2 GLN 27 8.572 8.529 -0.829
173 H LEU 28 H LEU 28 4.980 4.649 4.789
174 HA LEU 28 HA LEU 28 2.767 3.354 3.438
175 HB2 LEU 28 1HB LEU 28 4.405 1.818 3.955
176 HB3 LEU 28 2HB LEU 28 4.758 2.564 5.512
177 HG LEU 28 HG LEU 28 2.767 1.595 6.475
178 HD11 LEU 28 1HD1 LEU 28 2.175 0.912 3.642
179 HD12 LEU 28 2HD1 LEU 28 1.104 1.506 4.911
180 HD13 LEU 28 3HD1 LEU 28 1.618 -0.181 4.909
181 HD21 LEU 28 3HD2 LEU 28 4.684 -0.181 5.038
182 HD22 LEU 28 1HD2 LEU 28 3.323 -0.898 5.902
183 HD23 LEU 28 2HD2 LEU 28 4.488 0.103 6.769
184 H ILE 29 H ILE 29 3.508 4.490 6.725
185 HA ILE 29 HA ILE 29 1.163 3.824 8.003
186 HB ILE 29 HB ILE 29 3.073 6.098 8.373
187 HG12 ILE 29 1HG1 ILE 29 2.989 4.827 10.721
188 HG13 ILE 29 2HG1 ILE 29 2.403 3.517 9.701
189 HG21 ILE 29 1HG2 ILE 29 0.334 5.893 9.466
190 HG22 ILE 29 2HG2 ILE 29 1.608 6.346 10.596
191 HG23 ILE 29 3HG2 ILE 29 1.328 7.315 9.150
192 HD11 ILE 29 3HD1 ILE 29 5.042 4.214 10.192
193 HD12 ILE 29 1HD1 ILE 29 4.448 3.077 8.983
194 HD13 ILE 29 2HD1 ILE 29 4.727 4.764 8.547
195 H SER 30 H SER 30 1.852 6.794 6.173
196 HA SER 30 HA SER 30 -0.536 8.130 6.571
197 HB2 SER 30 1HB SER 30 1.368 9.164 5.443
198 HB3 SER 30 2HB SER 30 1.175 8.071 4.072
199 HG SER 30 HG SER 30 0.184 10.330 4.061
200 H HIS 31 H HIS 31 0.217 5.533 4.322
201 HA HIS 31 HA HIS 31 -2.226 5.673 2.870
202 HB2 HIS 31 1HB HIS 31 -0.391 4.599 1.800
203 HB3 HIS 31 2HB HIS 31 -0.135 3.519 3.167
204 HD1 HIS 31 HD1 HIS 31 -2.586 4.127 0.353
205 HD2 HIS 31 HD2 HIS 31 -1.509 1.152 3.046
206 HE1 HIS 31 HE1 HIS 31 -3.853 2.077 -0.367
207 H GLN 32 H GLN 32 -1.085 3.558 5.491
208 HA GLN 32 HA GLN 32 -3.233 1.881 5.764
209 HB2 GLN 32 1HB GLN 32 -1.712 3.125 8.061
210 HB3 GLN 32 2HB GLN 32 -2.602 1.609 8.094
211 HG2 GLN 32 1HG GLN 32 -1.003 0.848 6.248
212 HG3 GLN 32 2HG GLN 32 -0.023 2.238 6.710
213 HE21 GLN 32 1HE2 GLN 32 -0.431 -0.971 7.171
214 HE22 GLN 32 2HE2 GLN 32 0.303 -1.145 8.725
215 H ARG 33 H ARG 33 -3.042 5.256 6.551
216 HA ARG 33 HA ARG 33 -5.055 5.609 8.382
217 HB2 ARG 33 1HB ARG 33 -4.547 7.370 5.978
218 HB3 ARG 33 2HB ARG 33 -5.348 7.848 7.468
219 HG2 ARG 33 1HG ARG 33 -2.549 6.803 7.530
220 HG3 ARG 33 2HG ARG 33 -2.874 8.483 7.095
221 HD2 ARG 33 1HD ARG 33 -4.236 8.607 9.241
222 HD3 ARG 33 2HD ARG 33 -3.493 7.067 9.674
223 HE ARG 33 HE ARG 33 -1.501 8.160 10.057
224 HH11 ARG 33 1HH1 ARG 33 -3.752 10.306 8.491
225 HH12 ARG 33 2HH1 ARG 33 -2.783 11.719 8.748
226 HH21 ARG 33 1HH2 ARG 33 -0.218 10.013 10.401
227 HH22 ARG 33 2HH2 ARG 33 -0.773 11.552 9.834
228 H THR 34 H THR 34 -5.352 5.124 4.897
229 HA THR 34 HA THR 34 -8.098 5.617 4.649
230 HB THR 34 HB THR 34 -8.014 4.490 2.549
231 HG1 THR 34 HG1 THR 34 -5.454 3.434 2.976
232 HG21 THR 34 3HG2 THR 34 -5.837 6.245 3.357
233 HG22 THR 34 1HG2 THR 34 -6.834 6.280 1.903
234 HG23 THR 34 2HG2 THR 34 -5.416 5.235 1.975
235 H HIS 35 H HIS 35 -6.331 2.710 5.563
236 HA HIS 35 HA HIS 35 -8.578 0.967 5.511
237 HB2 HIS 35 1HB HIS 35 -5.850 0.797 6.775
238 HB3 HIS 35 2HB HIS 35 -7.055 -0.465 7.009
239 HD1 HIS 35 HD1 HIS 35 -7.964 -1.551 4.665
240 HD2 HIS 35 HD2 HIS 35 -4.343 0.482 4.543
241 HE1 HIS 35 HE1 HIS 35 -6.831 -2.321 2.556
242 H ALA 36 H ALA 36 -7.014 2.874 8.042
243 HA ALA 36 HA ALA 36 -8.044 2.055 10.357
244 HB1 ALA 36 3HB ALA 36 -8.638 4.839 10.285
245 HB2 ALA 36 1HB ALA 36 -7.269 4.017 11.034
246 HB3 ALA 36 2HB ALA 36 -7.167 4.548 9.355
247 H GLY 37 H GLY 37 -9.955 2.208 11.553
248 HA2 GLY 37 1HA GLY 37 -12.331 1.612 10.348
249 HA3 GLY 37 2HA GLY 37 -12.222 2.375 11.927
250 H GLU 38 H GLU 38 -13.784 2.642 9.153
251 HA GLU 38 HA GLU 38 -14.001 5.561 9.390
252 HB2 GLU 38 1HB GLU 38 -13.379 3.958 6.965
253 HB3 GLU 38 2HB GLU 38 -14.487 5.309 6.770
254 HG2 GLU 38 1HG GLU 38 -11.780 5.572 8.045
255 HG3 GLU 38 2HG GLU 38 -12.068 5.800 6.321
256 H LYS 39 H LYS 39 -16.019 6.163 9.772
257 HA LYS 39 HA LYS 39 -18.206 4.397 8.884
258 HB2 LYS 39 1HB LYS 39 -17.822 5.922 11.440
259 HB3 LYS 39 2HB LYS 39 -19.442 5.533 10.877
260 HG2 LYS 39 1HG LYS 39 -19.011 3.759 12.256
261 HG3 LYS 39 2HG LYS 39 -18.486 3.110 10.701
262 HD2 LYS 39 1HD LYS 39 -16.758 2.551 12.180
263 HD3 LYS 39 2HD LYS 39 -16.162 3.979 11.330
264 HE2 LYS 39 1HE LYS 39 -15.672 4.588 13.472
265 HE3 LYS 39 2HE LYS 39 -17.314 5.219 13.364
266 HZ1 LYS 39 3HZ LYS 39 -17.507 2.566 14.166
267 HZ2 LYS 39 1HZ LYS 39 -17.839 3.950 15.081
268 HZ3 LYS 39 2HZ LYS 39 -16.293 3.265 15.114
269 HA PRO 40 HA PRO 40 -19.785 7.806 6.592
270 HB2 PRO 40 1HB PRO 40 -22.397 7.076 6.460
271 HB3 PRO 40 2HB PRO 40 -21.128 6.276 5.525
272 HG2 PRO 40 1HG PRO 40 -22.415 5.421 8.089
273 HG3 PRO 40 2HG PRO 40 -22.004 4.448 6.665
274 HD2 PRO 40 1HD PRO 40 -20.470 4.485 8.895
275 HD3 PRO 40 2HD PRO 40 -19.787 4.269 7.271
276 H SER 41 H SER 41 -20.379 7.315 9.822
277 HA SER 41 HA SER 41 -22.465 9.275 10.175
278 HB2 SER 41 1HB SER 41 -20.773 7.629 12.035
279 HB3 SER 41 2HB SER 41 -21.735 8.970 12.657
280 HG SER 41 HG SER 41 -23.449 7.783 12.461
281 H GLY 42 H GLY 42 -22.212 11.257 11.361
282 HA2 GLY 42 1HA GLY 42 -20.618 12.825 12.417
283 HA3 GLY 42 2HA GLY 42 -19.486 12.381 11.149
284 HA PRO 43 HA PRO 43 -22.602 15.884 9.939
285 HB2 PRO 43 1HB PRO 43 -21.543 18.081 11.131
286 HB3 PRO 43 2HB PRO 43 -22.805 17.097 11.880
287 HG2 PRO 43 1HG PRO 43 -19.850 17.072 12.359
288 HG3 PRO 43 2HG PRO 43 -21.175 16.993 13.535
289 HD2 PRO 43 1HD PRO 43 -19.807 14.799 12.733
290 HD3 PRO 43 2HD PRO 43 -21.524 14.743 13.180
291 H SER 44 H SER 44 -19.391 15.073 9.787
292 HA SER 44 HA SER 44 -18.191 17.229 8.461
293 HB2 SER 44 1HB SER 44 -17.663 14.268 8.479
294 HB3 SER 44 2HB SER 44 -16.724 15.344 7.446
295 HG SER 44 HG SER 44 -16.388 16.578 9.490
296 H SER 45 H SER 45 -19.627 14.279 7.059
297 HA SER 45 HA SER 45 -20.578 15.820 4.788
298 HB2 SER 45 1HB SER 45 -18.384 13.799 4.622
299 HB3 SER 45 2HB SER 45 -19.554 13.876 3.305
300 HG SER 45 HG SER 45 -18.515 16.298 4.167
301 H GLY 46 H GLY 46 -22.297 14.862 3.705
302 HA2 GLY 46 1HA GLY 46 -23.454 12.545 5.103
303 HA3 GLY 46 2HA GLY 46 -24.361 13.739 4.187
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -12.817 -14.283 -12.198
2 HA2 GLY 1 1HA GLY 1 -12.020 -15.395 -9.905
3 HA3 GLY 1 2HA GLY 1 -11.011 -16.258 -11.056
4 H SER 2 H SER 2 -10.329 -14.350 -8.886
5 HA SER 2 HA SER 2 -8.978 -12.295 -10.510
6 HB2 SER 2 1HB SER 2 -10.676 -11.633 -8.647
7 HB3 SER 2 2HB SER 2 -9.369 -12.052 -7.540
8 HG SER 2 HG SER 2 -8.542 -10.184 -7.978
9 H SER 3 H SER 3 -6.956 -12.916 -10.897
10 HA SER 3 HA SER 3 -5.300 -13.746 -8.626
11 HB2 SER 3 1HB SER 3 -5.664 -15.241 -11.212
12 HB3 SER 3 2HB SER 3 -4.172 -15.388 -10.283
13 HG SER 3 HG SER 3 -5.188 -16.706 -9.020
14 H GLY 4 H GLY 4 -3.275 -12.910 -8.628
15 HA2 GLY 4 1HA GLY 4 -1.753 -12.147 -10.823
16 HA3 GLY 4 2HA GLY 4 -2.700 -10.740 -10.364
17 H SER 5 H SER 5 0.257 -11.554 -10.215
18 HA SER 5 HA SER 5 0.675 -10.445 -7.545
19 HB2 SER 5 1HB SER 5 2.387 -12.107 -6.994
20 HB3 SER 5 2HB SER 5 0.834 -12.894 -7.275
21 HG SER 5 HG SER 5 2.548 -12.604 -9.454
22 H SER 6 H SER 6 2.296 -8.999 -7.466
23 HA SER 6 HA SER 6 4.440 -9.030 -9.408
24 HB2 SER 6 1HB SER 6 4.004 -6.869 -10.365
25 HB3 SER 6 2HB SER 6 2.535 -7.830 -10.542
26 HG SER 6 HG SER 6 1.834 -6.772 -8.543
27 H GLY 7 H GLY 7 6.086 -7.386 -8.951
28 HA2 GLY 7 1HA GLY 7 7.124 -5.805 -7.532
29 HA3 GLY 7 2HA GLY 7 5.897 -6.128 -6.315
30 H THR 8 H THR 8 8.990 -7.002 -7.563
31 HA THR 8 HA THR 8 9.373 -9.452 -6.236
32 HB THR 8 HB THR 8 10.876 -8.724 -8.014
33 HG1 THR 8 HG1 THR 8 12.035 -9.141 -5.453
34 HG21 THR 8 3HG2 THR 8 10.841 -6.295 -7.330
35 HG22 THR 8 1HG2 THR 8 12.424 -6.930 -7.776
36 HG23 THR 8 2HG2 THR 8 12.008 -6.711 -6.076
37 H GLY 9 H GLY 9 10.104 -6.115 -5.259
38 HA2 GLY 9 1HA GLY 9 9.520 -5.923 -2.741
39 HA3 GLY 9 2HA GLY 9 10.818 -7.096 -2.581
40 H GLU 10 H GLU 10 10.289 -4.020 -4.313
41 HA GLU 10 HA GLU 10 13.053 -3.274 -3.861
42 HB2 GLU 10 1HB GLU 10 12.477 -1.266 -5.191
43 HB3 GLU 10 2HB GLU 10 12.095 -2.767 -6.023
44 HG2 GLU 10 1HG GLU 10 9.775 -2.513 -5.597
45 HG3 GLU 10 2HG GLU 10 10.063 -1.172 -4.490
46 H ASN 11 H ASN 11 9.945 -2.658 -2.487
47 HA ASN 11 HA ASN 11 11.041 -0.461 -0.870
48 HB2 ASN 11 1HB ASN 11 8.317 -1.139 -1.845
49 HB3 ASN 11 2HB ASN 11 8.431 -0.394 -0.253
50 HD21 ASN 11 1HD2 ASN 11 7.131 0.895 -2.248
51 HD22 ASN 11 2HD2 ASN 11 8.041 2.271 -2.761
52 HA PRO 12 HA PRO 12 11.286 -3.422 2.446
53 HB2 PRO 12 1HB PRO 12 12.141 -1.663 4.329
54 HB3 PRO 12 2HB PRO 12 13.201 -2.321 3.077
55 HG2 PRO 12 1HG PRO 12 11.805 0.325 3.176
56 HG3 PRO 12 2HG PRO 12 13.465 -0.046 2.676
57 HD2 PRO 12 1HD PRO 12 11.466 0.369 0.898
58 HD3 PRO 12 2HD PRO 12 12.811 -0.746 0.579
59 H TYR 13 H TYR 13 9.200 -0.759 2.143
60 HA TYR 13 HA TYR 13 7.740 -1.547 4.579
61 HB2 TYR 13 1HB TYR 13 7.575 1.116 3.159
62 HB3 TYR 13 2HB TYR 13 6.851 0.692 4.706
63 HD1 TYR 13 HD1 TYR 13 8.250 0.458 6.711
64 HD2 TYR 13 HD2 TYR 13 9.905 1.692 2.990
65 HE1 TYR 13 HE1 TYR 13 10.263 1.256 7.878
66 HE2 TYR 13 HE2 TYR 13 11.923 2.492 4.147
67 HH TYR 13 HH TYR 13 13.099 1.848 6.456
68 H GLU 14 H GLU 14 6.081 -2.812 4.078
69 HA GLU 14 HA GLU 14 4.421 -2.081 1.758
70 HB2 GLU 14 1HB GLU 14 5.565 -4.723 2.523
71 HB3 GLU 14 2HB GLU 14 3.950 -4.700 1.830
72 HG2 GLU 14 1HG GLU 14 4.682 -4.037 -0.220
73 HG3 GLU 14 2HG GLU 14 6.079 -3.181 0.432
74 H CYS 15 H CYS 15 2.228 -2.182 2.026
75 HA CYS 15 HA CYS 15 1.251 -2.110 4.713
76 HB2 CYS 15 1HB CYS 15 0.387 -0.722 2.774
77 HB3 CYS 15 2HB CYS 15 -0.404 -2.181 2.188
78 H HIS 16 H HIS 16 0.661 -3.789 5.900
79 HA HIS 16 HA HIS 16 0.408 -6.412 4.759
80 HB2 HIS 16 1HB HIS 16 -0.001 -7.133 7.086
81 HB3 HIS 16 2HB HIS 16 1.443 -6.134 6.947
82 HD1 HIS 16 HD1 HIS 16 1.607 -4.736 8.971
83 HD2 HIS 16 HD2 HIS 16 -2.318 -5.075 7.651
84 HE1 HIS 16 HE1 HIS 16 0.248 -3.299 10.525
85 H GLU 17 H GLU 17 -1.679 -3.867 4.936
86 HA GLU 17 HA GLU 17 -4.079 -5.370 5.550
87 HB2 GLU 17 1HB GLU 17 -3.828 -2.548 4.497
88 HB3 GLU 17 2HB GLU 17 -5.257 -3.280 5.214
89 HG2 GLU 17 1HG GLU 17 -3.721 -3.613 7.283
90 HG3 GLU 17 2HG GLU 17 -2.746 -2.354 6.527
91 H CYS 18 H CYS 18 -2.799 -3.618 2.723
92 HA CYS 18 HA CYS 18 -4.577 -5.236 1.023
93 HB2 CYS 18 1HB CYS 18 -4.347 -3.444 -0.657
94 HB3 CYS 18 2HB CYS 18 -5.021 -2.844 0.855
95 H GLY 19 H GLY 19 -1.315 -3.833 1.202
96 HA2 GLY 19 1HA GLY 19 0.465 -5.562 0.745
97 HA3 GLY 19 2HA GLY 19 -0.433 -5.887 -0.730
98 H LYS 20 H LYS 20 -0.403 -2.614 0.207
99 HA LYS 20 HA LYS 20 0.922 -1.782 -2.139
100 HB2 LYS 20 1HB LYS 20 -0.750 -0.449 -0.799
101 HB3 LYS 20 2HB LYS 20 0.529 -0.147 0.370
102 HG2 LYS 20 1HG LYS 20 1.687 1.242 -1.049
103 HG3 LYS 20 2HG LYS 20 0.982 0.524 -2.499
104 HD2 LYS 20 1HD LYS 20 -0.831 1.919 -0.597
105 HD3 LYS 20 2HD LYS 20 0.227 2.902 -1.613
106 HE2 LYS 20 1HE LYS 20 -1.787 2.680 -2.817
107 HE3 LYS 20 2HE LYS 20 -0.653 1.565 -3.578
108 HZ1 LYS 20 3HZ LYS 20 -2.563 0.694 -1.491
109 HZ2 LYS 20 1HZ LYS 20 -1.689 -0.267 -2.576
110 HZ3 LYS 20 2HZ LYS 20 -2.963 0.696 -3.134
111 H ALA 21 H ALA 21 2.826 -0.189 -2.011
112 HA ALA 21 HA ALA 21 4.839 -1.071 -0.068
113 HB1 ALA 21 3HB ALA 21 6.386 -0.849 -2.267
114 HB2 ALA 21 1HB ALA 21 5.706 -2.370 -1.690
115 HB3 ALA 21 2HB ALA 21 4.902 -1.478 -2.982
116 H PHE 22 H PHE 22 6.407 0.449 0.441
117 HA PHE 22 HA PHE 22 6.319 3.035 -0.915
118 HB2 PHE 22 1HB PHE 22 6.153 2.880 2.093
119 HB3 PHE 22 2HB PHE 22 5.958 4.298 1.068
120 HD1 PHE 22 HD2 PHE 22 4.424 0.939 1.596
121 HD2 PHE 22 HD1 PHE 22 3.830 5.047 0.655
122 HE1 PHE 22 HE2 PHE 22 1.991 0.577 1.567
123 HE2 PHE 22 HE1 PHE 22 1.396 4.692 0.625
124 HZ PHE 22 HZ PHE 22 0.473 2.454 1.080
125 H SER 23 H SER 23 8.146 4.411 -0.402
126 HA SER 23 HA SER 23 10.565 2.892 -0.162
127 HB2 SER 23 1HB SER 23 9.857 5.722 -0.757
128 HB3 SER 23 2HB SER 23 11.481 5.406 -0.147
129 HG SER 23 HG SER 23 10.561 3.744 -2.174
130 H ARG 24 H ARG 24 9.014 5.434 1.781
131 HA ARG 24 HA ARG 24 10.849 4.797 3.986
132 HB2 ARG 24 1HB ARG 24 8.981 7.148 3.956
133 HB3 ARG 24 2HB ARG 24 10.487 6.946 4.841
134 HG2 ARG 24 1HG ARG 24 11.463 6.825 2.371
135 HG3 ARG 24 2HG ARG 24 10.024 7.793 2.045
136 HD2 ARG 24 1HD ARG 24 10.768 9.565 3.277
137 HD3 ARG 24 2HD ARG 24 11.703 8.549 4.373
138 HE ARG 24 HE ARG 24 13.509 8.736 2.967
139 HH11 ARG 24 1HH1 ARG 24 10.649 9.896 1.355
140 HH12 ARG 24 2HH1 ARG 24 11.517 10.559 0.011
141 HH21 ARG 24 1HH2 ARG 24 14.663 9.605 1.202
142 HH22 ARG 24 2HH2 ARG 24 13.801 10.393 -0.076
143 H LYS 25 H LYS 25 9.922 4.817 6.186
144 HA LYS 25 HA LYS 25 7.802 2.990 6.422
145 HB2 LYS 25 1HB LYS 25 9.439 3.114 8.164
146 HB3 LYS 25 2HB LYS 25 9.106 4.819 8.438
147 HG2 LYS 25 1HG LYS 25 7.982 3.889 10.190
148 HG3 LYS 25 2HG LYS 25 6.696 3.938 8.982
149 HD2 LYS 25 1HD LYS 25 8.414 1.516 9.081
150 HD3 LYS 25 2HD LYS 25 7.239 1.745 10.378
151 HE2 LYS 25 1HE LYS 25 5.427 1.682 8.905
152 HE3 LYS 25 2HE LYS 25 6.441 2.004 7.499
153 HZ1 LYS 25 3HZ LYS 25 6.344 -0.188 7.187
154 HZ2 LYS 25 1HZ LYS 25 5.795 -0.498 8.757
155 HZ3 LYS 25 2HZ LYS 25 7.450 -0.313 8.461
156 H TYR 26 H TYR 26 7.912 6.486 7.085
157 HA TYR 26 HA TYR 26 5.274 6.817 7.896
158 HB2 TYR 26 1HB TYR 26 5.692 9.063 7.817
159 HB3 TYR 26 2HB TYR 26 7.351 8.485 7.704
160 HD1 TYR 26 HD1 TYR 26 8.499 8.453 5.500
161 HD2 TYR 26 HD2 TYR 26 4.661 10.218 6.005
162 HE1 TYR 26 HE1 TYR 26 8.779 9.656 3.374
163 HE2 TYR 26 HE2 TYR 26 4.930 11.426 3.880
164 HH TYR 26 HH TYR 26 7.890 11.704 2.287
165 H GLN 27 H GLN 27 6.663 6.876 4.641
166 HA GLN 27 HA GLN 27 4.494 7.720 3.170
167 HB2 GLN 27 1HB GLN 27 6.624 5.687 2.522
168 HB3 GLN 27 2HB GLN 27 5.427 6.208 1.343
169 HG2 GLN 27 1HG GLN 27 6.264 8.597 2.003
170 HG3 GLN 27 2HG GLN 27 7.695 7.717 2.539
171 HE21 GLN 27 1HE2 GLN 27 8.539 9.205 0.787
172 HE22 GLN 27 2HE2 GLN 27 8.597 8.554 -0.812
173 H LEU 28 H LEU 28 4.988 4.672 4.767
174 HA LEU 28 HA LEU 28 2.778 3.383 3.407
175 HB2 LEU 28 1HB LEU 28 4.439 1.860 3.915
176 HB3 LEU 28 2HB LEU 28 4.758 2.581 5.491
177 HG LEU 28 HG LEU 28 2.850 1.534 6.449
178 HD11 LEU 28 1HD1 LEU 28 1.683 -0.118 4.620
179 HD12 LEU 28 2HD1 LEU 28 1.996 1.327 3.660
180 HD13 LEU 28 3HD1 LEU 28 1.040 1.441 5.137
181 HD21 LEU 28 3HD2 LEU 28 4.039 -0.325 6.663
182 HD22 LEU 28 1HD2 LEU 28 4.929 0.059 5.189
183 HD23 LEU 28 2HD2 LEU 28 3.442 -0.886 5.100
184 H ILE 29 H ILE 29 3.503 4.589 6.666
185 HA ILE 29 HA ILE 29 1.178 3.870 7.968
186 HB ILE 29 HB ILE 29 3.018 6.212 8.305
187 HG12 ILE 29 1HG1 ILE 29 3.291 5.030 10.562
188 HG13 ILE 29 2HG1 ILE 29 2.373 3.706 9.853
189 HG21 ILE 29 1HG2 ILE 29 0.531 5.678 9.923
190 HG22 ILE 29 2HG2 ILE 29 1.789 6.841 10.339
191 HG23 ILE 29 3HG2 ILE 29 0.824 7.070 8.880
192 HD11 ILE 29 3HD1 ILE 29 4.836 3.413 9.778
193 HD12 ILE 29 1HD1 ILE 29 4.051 3.339 8.201
194 HD13 ILE 29 2HD1 ILE 29 4.919 4.796 8.686
195 H SER 30 H SER 30 1.806 6.864 6.149
196 HA SER 30 HA SER 30 -0.617 8.134 6.529
197 HB2 SER 30 1HB SER 30 1.527 8.900 5.252
198 HB3 SER 30 2HB SER 30 0.723 8.212 3.841
199 HG SER 30 HG SER 30 0.084 10.309 3.919
200 H HIS 31 H HIS 31 0.178 5.470 4.409
201 HA HIS 31 HA HIS 31 -2.249 5.579 2.895
202 HB2 HIS 31 1HB HIS 31 -0.364 4.543 1.856
203 HB3 HIS 31 2HB HIS 31 -0.127 3.456 3.222
204 HD1 HIS 31 HD1 HIS 31 -2.577 4.078 0.402
205 HD2 HIS 31 HD2 HIS 31 -1.428 1.064 3.020
206 HE1 HIS 31 HE1 HIS 31 -3.800 2.019 -0.365
207 H GLN 32 H GLN 32 -1.069 3.512 5.539
208 HA GLN 32 HA GLN 32 -3.207 1.805 5.807
209 HB2 GLN 32 1HB GLN 32 -1.627 3.028 8.075
210 HB3 GLN 32 2HB GLN 32 -2.550 1.532 8.141
211 HG2 GLN 32 1HG GLN 32 -1.007 0.755 6.231
212 HG3 GLN 32 2HG GLN 32 0.024 2.096 6.729
213 HE21 GLN 32 1HE2 GLN 32 -0.388 -1.096 7.051
214 HE22 GLN 32 2HE2 GLN 32 0.302 -1.346 8.614
215 H ARG 33 H ARG 33 -3.005 5.171 6.638
216 HA ARG 33 HA ARG 33 -5.044 5.445 8.487
217 HB2 ARG 33 1HB ARG 33 -4.488 7.367 6.223
218 HB3 ARG 33 2HB ARG 33 -5.221 7.743 7.777
219 HG2 ARG 33 1HG ARG 33 -2.393 6.786 7.387
220 HG3 ARG 33 2HG ARG 33 -2.878 8.466 7.625
221 HD2 ARG 33 1HD ARG 33 -3.731 6.406 9.606
222 HD3 ARG 33 2HD ARG 33 -2.072 6.999 9.645
223 HE ARG 33 HE ARG 33 -2.842 9.062 10.357
224 HH11 ARG 33 1HH1 ARG 33 -5.505 6.987 9.509
225 HH12 ARG 33 2HH1 ARG 33 -6.703 8.009 10.232
226 HH21 ARG 33 1HH2 ARG 33 -4.409 10.417 11.313
227 HH22 ARG 33 2HH2 ARG 33 -6.078 9.960 11.257
228 H THR 34 H THR 34 -5.235 5.098 4.989
229 HA THR 34 HA THR 34 -7.952 5.720 4.662
230 HB THR 34 HB THR 34 -7.832 4.665 2.523
231 HG1 THR 34 HG1 THR 34 -6.922 2.695 2.924
232 HG21 THR 34 3HG2 THR 34 -5.327 5.390 1.894
233 HG22 THR 34 1HG2 THR 34 -5.472 6.188 3.459
234 HG23 THR 34 2HG2 THR 34 -6.621 6.556 2.172
235 H HIS 35 H HIS 35 -6.327 2.751 5.598
236 HA HIS 35 HA HIS 35 -8.616 1.071 5.362
237 HB2 HIS 35 1HB HIS 35 -5.949 0.788 6.723
238 HB3 HIS 35 2HB HIS 35 -7.201 -0.435 6.914
239 HD1 HIS 35 HD1 HIS 35 -8.112 -1.409 4.495
240 HD2 HIS 35 HD2 HIS 35 -4.360 0.374 4.574
241 HE1 HIS 35 HE1 HIS 35 -6.939 -2.218 2.423
242 H ALA 36 H ALA 36 -7.173 2.930 7.984
243 HA ALA 36 HA ALA 36 -8.599 1.937 10.144
244 HB1 ALA 36 3HB ALA 36 -7.351 3.459 11.165
245 HB2 ALA 36 1HB ALA 36 -6.942 4.185 9.611
246 HB3 ALA 36 2HB ALA 36 -8.365 4.737 10.495
247 H GLY 37 H GLY 37 -10.696 1.871 10.599
248 HA2 GLY 37 1HA GLY 37 -12.619 3.578 10.874
249 HA3 GLY 37 2HA GLY 37 -12.504 3.661 9.123
250 H GLU 38 H GLU 38 -12.512 1.363 8.080
251 HA GLU 38 HA GLU 38 -14.991 0.141 8.910
252 HB2 GLU 38 1HB GLU 38 -13.164 -0.123 6.559
253 HB3 GLU 38 2HB GLU 38 -14.312 -1.413 6.889
254 HG2 GLU 38 1HG GLU 38 -16.002 0.610 7.028
255 HG3 GLU 38 2HG GLU 38 -14.791 1.374 6.000
256 H LYS 39 H LYS 39 -14.223 -0.650 10.979
257 HA LYS 39 HA LYS 39 -12.188 -2.286 11.614
258 HB2 LYS 39 1HB LYS 39 -15.053 -2.283 12.454
259 HB3 LYS 39 2HB LYS 39 -14.023 -3.600 13.000
260 HG2 LYS 39 1HG LYS 39 -12.551 -2.084 14.110
261 HG3 LYS 39 2HG LYS 39 -13.374 -0.690 13.405
262 HD2 LYS 39 1HD LYS 39 -14.328 -0.731 15.493
263 HD3 LYS 39 2HD LYS 39 -15.472 -1.734 14.597
264 HE2 LYS 39 1HE LYS 39 -14.740 -3.681 15.581
265 HE3 LYS 39 2HE LYS 39 -13.137 -3.031 15.921
266 HZ1 LYS 39 3HZ LYS 39 -14.981 -3.341 17.784
267 HZ2 LYS 39 1HZ LYS 39 -15.377 -1.771 17.292
268 HZ3 LYS 39 2HZ LYS 39 -13.819 -2.114 17.853
269 HA PRO 40 HA PRO 40 -12.341 -5.878 9.073
270 HB2 PRO 40 1HB PRO 40 -10.925 -7.578 10.647
271 HB3 PRO 40 2HB PRO 40 -10.175 -6.259 9.741
272 HG2 PRO 40 1HG PRO 40 -10.948 -6.372 12.631
273 HG3 PRO 40 2HG PRO 40 -9.472 -5.724 11.892
274 HD2 PRO 40 1HD PRO 40 -11.517 -4.140 12.693
275 HD3 PRO 40 2HD PRO 40 -10.488 -3.741 11.303
276 H SER 41 H SER 41 -14.131 -7.047 8.807
277 HA SER 41 HA SER 41 -15.988 -7.729 10.732
278 HB2 SER 41 1HB SER 41 -15.372 -8.739 7.992
279 HB3 SER 41 2HB SER 41 -16.494 -9.671 8.984
280 HG SER 41 HG SER 41 -17.923 -8.259 8.396
281 H GLY 42 H GLY 42 -16.213 -9.311 12.205
282 HA2 GLY 42 1HA GLY 42 -15.844 -11.677 12.776
283 HA3 GLY 42 2HA GLY 42 -14.200 -11.475 12.188
284 HA PRO 43 HA PRO 43 -14.858 -10.209 16.811
285 HB2 PRO 43 1HB PRO 43 -14.820 -12.600 18.096
286 HB3 PRO 43 2HB PRO 43 -16.315 -11.811 17.579
287 HG2 PRO 43 1HG PRO 43 -14.786 -14.021 16.260
288 HG3 PRO 43 2HG PRO 43 -16.536 -13.853 16.488
289 HD2 PRO 43 1HD PRO 43 -15.311 -13.285 14.141
290 HD3 PRO 43 2HD PRO 43 -16.758 -12.420 14.697
291 H SER 44 H SER 44 -12.863 -9.461 17.190
292 HA SER 44 HA SER 44 -10.611 -11.357 17.098
293 HB2 SER 44 1HB SER 44 -10.174 -9.662 15.510
294 HB3 SER 44 2HB SER 44 -10.754 -8.390 16.585
295 HG SER 44 HG SER 44 -8.559 -8.302 16.676
296 H SER 45 H SER 45 -11.814 -8.501 18.849
297 HA SER 45 HA SER 45 -10.595 -9.598 21.292
298 HB2 SER 45 1HB SER 45 -10.590 -6.683 20.468
299 HB3 SER 45 2HB SER 45 -9.983 -7.320 21.996
300 HG SER 45 HG SER 45 -8.202 -7.260 20.788
301 H GLY 46 H GLY 46 -13.236 -10.020 20.553
302 HA2 GLY 46 1HA GLY 46 -15.391 -9.811 21.320
303 HA3 GLY 46 2HA GLY 46 -14.645 -9.313 22.832
Start of MODEL 16
1 H1 GLY 1 H GLY 1 16.724 -26.991 -8.661
2 HA2 GLY 1 1HA GLY 1 15.756 -27.483 -6.073
3 HA3 GLY 1 2HA GLY 1 17.006 -26.253 -5.963
4 H SER 2 H SER 2 13.897 -26.416 -5.781
5 HA SER 2 HA SER 2 13.438 -23.986 -7.383
6 HB2 SER 2 1HB SER 2 11.091 -24.721 -7.686
7 HB3 SER 2 2HB SER 2 12.238 -25.848 -8.411
8 HG SER 2 HG SER 2 11.006 -26.142 -5.868
9 H SER 3 H SER 3 13.524 -22.422 -5.880
10 HA SER 3 HA SER 3 12.090 -22.811 -3.349
11 HB2 SER 3 1HB SER 3 14.549 -22.037 -3.456
12 HB3 SER 3 2HB SER 3 13.897 -20.485 -3.982
13 HG SER 3 HG SER 3 14.247 -20.967 -1.597
14 H GLY 4 H GLY 4 12.616 -20.212 -5.744
15 HA2 GLY 4 1HA GLY 4 10.529 -19.330 -6.792
16 HA3 GLY 4 2HA GLY 4 9.866 -19.295 -5.165
17 H SER 5 H SER 5 12.572 -18.012 -7.083
18 HA SER 5 HA SER 5 12.578 -15.630 -5.364
19 HB2 SER 5 1HB SER 5 14.738 -16.801 -5.629
20 HB3 SER 5 2HB SER 5 14.649 -16.551 -7.373
21 HG SER 5 HG SER 5 15.366 -14.808 -5.383
22 H SER 6 H SER 6 10.798 -14.572 -6.265
23 HA SER 6 HA SER 6 11.347 -13.321 -8.856
24 HB2 SER 6 1HB SER 6 8.661 -14.501 -8.106
25 HB3 SER 6 2HB SER 6 9.035 -13.629 -9.593
26 HG SER 6 HG SER 6 9.118 -15.893 -9.892
27 H GLY 7 H GLY 7 10.452 -11.253 -9.125
28 HA2 GLY 7 1HA GLY 7 9.426 -9.273 -8.485
29 HA3 GLY 7 2HA GLY 7 8.804 -10.093 -7.060
30 H THR 8 H THR 8 10.922 -7.774 -8.145
31 HA THR 8 HA THR 8 12.943 -8.095 -6.110
32 HB THR 8 HB THR 8 13.871 -5.998 -6.941
33 HG1 THR 8 HG1 THR 8 11.648 -5.895 -8.720
34 HG21 THR 8 3HG2 THR 8 13.215 -7.143 -9.543
35 HG22 THR 8 1HG2 THR 8 13.690 -8.356 -8.354
36 HG23 THR 8 2HG2 THR 8 14.772 -7.014 -8.725
37 H GLY 9 H GLY 9 10.607 -5.484 -6.828
38 HA2 GLY 9 1HA GLY 9 9.874 -3.786 -5.412
39 HA3 GLY 9 2HA GLY 9 9.271 -5.186 -4.537
40 H GLU 10 H GLU 10 11.861 -2.832 -4.759
41 HA GLU 10 HA GLU 10 13.341 -3.765 -2.524
42 HB2 GLU 10 1HB GLU 10 14.000 -2.101 -4.437
43 HB3 GLU 10 2HB GLU 10 13.333 -0.887 -3.354
44 HG2 GLU 10 1HG GLU 10 14.893 -1.926 -1.587
45 HG3 GLU 10 2HG GLU 10 15.718 -2.646 -2.969
46 H ASN 11 H ASN 11 10.660 -1.533 -2.908
47 HA ASN 11 HA ASN 11 10.546 -0.054 -0.689
48 HB2 ASN 11 1HB ASN 11 8.322 -1.713 -1.882
49 HB3 ASN 11 2HB ASN 11 8.048 -0.527 -0.609
50 HD21 ASN 11 1HD2 ASN 11 8.815 -1.032 -3.941
51 HD22 ASN 11 2HD2 ASN 11 8.648 0.612 -4.446
52 HA PRO 12 HA PRO 12 11.204 -3.303 2.411
53 HB2 PRO 12 1HB PRO 12 12.106 -1.589 4.313
54 HB3 PRO 12 2HB PRO 12 13.135 -2.218 3.021
55 HG2 PRO 12 1HG PRO 12 11.744 0.425 3.217
56 HG3 PRO 12 2HG PRO 12 13.391 0.066 2.668
57 HD2 PRO 12 1HD PRO 12 11.349 0.524 0.949
58 HD3 PRO 12 2HD PRO 12 12.685 -0.583 0.572
59 H TYR 13 H TYR 13 9.031 -0.760 2.132
60 HA TYR 13 HA TYR 13 7.644 -1.584 4.599
61 HB2 TYR 13 1HB TYR 13 7.519 1.147 3.307
62 HB3 TYR 13 2HB TYR 13 6.753 0.661 4.815
63 HD1 TYR 13 HD1 TYR 13 8.132 0.241 6.825
64 HD2 TYR 13 HD2 TYR 13 9.832 1.751 3.229
65 HE1 TYR 13 HE1 TYR 13 10.132 0.943 8.073
66 HE2 TYR 13 HE2 TYR 13 11.837 2.456 4.467
67 HH TYR 13 HH TYR 13 12.157 1.841 7.951
68 H GLU 14 H GLU 14 6.064 -2.908 3.959
69 HA GLU 14 HA GLU 14 4.360 -2.035 1.718
70 HB2 GLU 14 1HB GLU 14 5.503 -4.696 2.382
71 HB3 GLU 14 2HB GLU 14 3.861 -4.666 1.754
72 HG2 GLU 14 1HG GLU 14 4.507 -3.961 -0.308
73 HG3 GLU 14 2HG GLU 14 5.919 -3.102 0.304
74 H CYS 15 H CYS 15 2.166 -2.111 1.987
75 HA CYS 15 HA CYS 15 1.176 -2.042 4.653
76 HB2 CYS 15 1HB CYS 15 0.259 -0.697 2.751
77 HB3 CYS 15 2HB CYS 15 -0.418 -2.181 2.087
78 H HIS 16 H HIS 16 0.458 -3.646 5.884
79 HA HIS 16 HA HIS 16 0.259 -6.318 4.775
80 HB2 HIS 16 1HB HIS 16 -0.017 -7.018 7.135
81 HB3 HIS 16 2HB HIS 16 1.430 -6.045 6.888
82 HD1 HIS 16 HD1 HIS 16 1.763 -4.522 8.792
83 HD2 HIS 16 HD2 HIS 16 -2.268 -5.023 7.918
84 HE1 HIS 16 HE1 HIS 16 0.533 -3.073 10.438
85 H GLU 17 H GLU 17 -1.759 -4.183 4.189
86 HA GLU 17 HA GLU 17 -4.143 -5.616 5.163
87 HB2 GLU 17 1HB GLU 17 -3.969 -2.700 4.386
88 HB3 GLU 17 2HB GLU 17 -5.384 -3.530 5.019
89 HG2 GLU 17 1HG GLU 17 -3.993 -4.006 7.087
90 HG3 GLU 17 2HG GLU 17 -2.841 -2.836 6.448
91 H CYS 18 H CYS 18 -2.885 -3.652 2.476
92 HA CYS 18 HA CYS 18 -4.727 -5.076 0.674
93 HB2 CYS 18 1HB CYS 18 -4.481 -3.183 -0.858
94 HB3 CYS 18 2HB CYS 18 -5.038 -2.638 0.720
95 H GLY 19 H GLY 19 -1.400 -3.883 0.990
96 HA2 GLY 19 1HA GLY 19 0.325 -5.578 0.386
97 HA3 GLY 19 2HA GLY 19 -0.613 -5.845 -1.076
98 H LYS 20 H LYS 20 -0.318 -2.619 0.118
99 HA LYS 20 HA LYS 20 0.972 -1.769 -2.293
100 HB2 LYS 20 1HB LYS 20 -0.729 -0.534 -0.657
101 HB3 LYS 20 2HB LYS 20 0.769 0.044 0.062
102 HG2 LYS 20 1HG LYS 20 1.457 0.999 -2.048
103 HG3 LYS 20 2HG LYS 20 0.024 0.341 -2.841
104 HD2 LYS 20 1HD LYS 20 -1.193 1.695 -0.904
105 HD3 LYS 20 2HD LYS 20 0.289 2.651 -0.993
106 HE2 LYS 20 1HE LYS 20 -0.176 2.617 -3.557
107 HE3 LYS 20 2HE LYS 20 -1.822 2.219 -3.067
108 HZ1 LYS 20 3HZ LYS 20 -0.723 4.726 -3.221
109 HZ2 LYS 20 1HZ LYS 20 -0.785 4.402 -1.562
110 HZ3 LYS 20 2HZ LYS 20 -2.194 4.316 -2.494
111 H ALA 21 H ALA 21 2.884 -0.221 -2.139
112 HA ALA 21 HA ALA 21 4.826 -1.088 -0.115
113 HB1 ALA 21 3HB ALA 21 4.974 -1.517 -3.019
114 HB2 ALA 21 1HB ALA 21 6.435 -0.861 -2.280
115 HB3 ALA 21 2HB ALA 21 5.759 -2.383 -1.698
116 H PHE 22 H PHE 22 6.356 0.436 0.462
117 HA PHE 22 HA PHE 22 6.279 3.033 -0.889
118 HB2 PHE 22 1HB PHE 22 6.108 2.779 2.116
119 HB3 PHE 22 2HB PHE 22 5.999 4.253 1.160
120 HD1 PHE 22 HD2 PHE 22 4.288 0.992 1.686
121 HD2 PHE 22 HD1 PHE 22 3.928 5.081 0.561
122 HE1 PHE 22 HE2 PHE 22 1.842 0.749 1.601
123 HE2 PHE 22 HE1 PHE 22 1.480 4.845 0.475
124 HZ PHE 22 HZ PHE 22 0.434 2.677 0.994
125 H SER 23 H SER 23 8.097 4.430 -0.314
126 HA SER 23 HA SER 23 10.533 2.922 -0.180
127 HB2 SER 23 1HB SER 23 10.113 5.921 -0.195
128 HB3 SER 23 2HB SER 23 11.645 5.091 -0.470
129 HG SER 23 HG SER 23 9.485 4.360 -2.070
130 H ARG 24 H ARG 24 9.036 5.413 1.876
131 HA ARG 24 HA ARG 24 10.873 4.648 4.038
132 HB2 ARG 24 1HB ARG 24 9.078 7.057 4.095
133 HB3 ARG 24 2HB ARG 24 10.575 6.777 4.975
134 HG2 ARG 24 1HG ARG 24 11.563 6.711 2.513
135 HG3 ARG 24 2HG ARG 24 10.149 7.719 2.201
136 HD2 ARG 24 1HD ARG 24 10.916 9.438 3.499
137 HD3 ARG 24 2HD ARG 24 11.836 8.369 4.559
138 HE ARG 24 HE ARG 24 13.644 8.595 3.167
139 HH11 ARG 24 1HH1 ARG 24 10.792 9.771 1.553
140 HH12 ARG 24 2HH1 ARG 24 11.667 10.443 0.217
141 HH21 ARG 24 1HH2 ARG 24 14.807 9.475 1.414
142 HH22 ARG 24 2HH2 ARG 24 13.950 10.273 0.138
143 H LYS 25 H LYS 25 9.902 4.785 6.274
144 HA LYS 25 HA LYS 25 7.765 2.949 6.479
145 HB2 LYS 25 1HB LYS 25 9.441 3.069 8.214
146 HB3 LYS 25 2HB LYS 25 9.043 4.751 8.541
147 HG2 LYS 25 1HG LYS 25 7.944 3.718 10.253
148 HG3 LYS 25 2HG LYS 25 6.665 3.765 9.037
149 HD2 LYS 25 1HD LYS 25 7.659 1.434 8.356
150 HD3 LYS 25 2HD LYS 25 8.288 1.455 10.005
151 HE2 LYS 25 1HE LYS 25 5.920 1.984 10.746
152 HE3 LYS 25 2HE LYS 25 5.420 1.580 9.104
153 HZ1 LYS 25 3HZ LYS 25 6.795 -0.224 11.021
154 HZ2 LYS 25 1HZ LYS 25 6.437 -0.620 9.416
155 HZ3 LYS 25 2HZ LYS 25 5.185 -0.331 10.515
156 H TYR 26 H TYR 26 7.946 6.450 7.053
157 HA TYR 26 HA TYR 26 5.308 6.824 7.900
158 HB2 TYR 26 1HB TYR 26 5.768 9.064 7.828
159 HB3 TYR 26 2HB TYR 26 7.415 8.451 7.735
160 HD1 TYR 26 HD1 TYR 26 8.599 8.415 5.556
161 HD2 TYR 26 HD2 TYR 26 4.775 10.228 5.996
162 HE1 TYR 26 HE1 TYR 26 8.931 9.617 3.435
163 HE2 TYR 26 HE2 TYR 26 5.096 11.434 3.876
164 HH TYR 26 HH TYR 26 6.369 11.384 1.904
165 H GLN 27 H GLN 27 6.716 6.802 4.660
166 HA GLN 27 HA GLN 27 4.573 7.716 3.175
167 HB2 GLN 27 1HB GLN 27 6.627 5.607 2.510
168 HB3 GLN 27 2HB GLN 27 5.488 6.251 1.335
169 HG2 GLN 27 1HG GLN 27 6.413 8.535 1.875
170 HG3 GLN 27 2HG GLN 27 7.690 7.706 2.764
171 HE21 GLN 27 1HE2 GLN 27 8.642 9.199 0.898
172 HE22 GLN 27 2HE2 GLN 27 9.093 8.320 -0.519
173 H LEU 28 H LEU 28 4.988 4.671 4.789
174 HA LEU 28 HA LEU 28 2.768 3.419 3.407
175 HB2 LEU 28 1HB LEU 28 4.377 1.853 3.923
176 HB3 LEU 28 2HB LEU 28 4.733 2.582 5.487
177 HG LEU 28 HG LEU 28 2.767 1.616 6.457
178 HD11 LEU 28 1HD1 LEU 28 0.994 1.491 5.095
179 HD12 LEU 28 2HD1 LEU 28 1.628 -0.103 4.685
180 HD13 LEU 28 3HD1 LEU 28 1.989 1.282 3.653
181 HD21 LEU 28 3HD2 LEU 28 4.530 0.093 6.566
182 HD22 LEU 28 1HD2 LEU 28 4.470 -0.245 4.836
183 HD23 LEU 28 2HD2 LEU 28 3.200 -0.854 5.898
184 H ILE 29 H ILE 29 3.497 4.574 6.686
185 HA ILE 29 HA ILE 29 1.155 3.911 7.972
186 HB ILE 29 HB ILE 29 3.025 6.229 8.308
187 HG12 ILE 29 1HG1 ILE 29 3.258 5.050 10.577
188 HG13 ILE 29 2HG1 ILE 29 2.341 3.733 9.853
189 HG21 ILE 29 1HG2 ILE 29 1.575 6.404 10.560
190 HG22 ILE 29 2HG2 ILE 29 1.275 7.394 9.133
191 HG23 ILE 29 3HG2 ILE 29 0.308 5.948 9.422
192 HD11 ILE 29 3HD1 ILE 29 4.956 4.809 8.825
193 HD12 ILE 29 1HD1 ILE 29 4.748 3.338 9.774
194 HD13 ILE 29 2HD1 ILE 29 4.049 3.451 8.158
195 H SER 30 H SER 30 1.830 6.902 6.161
196 HA SER 30 HA SER 30 -0.575 8.203 6.520
197 HB2 SER 30 1HB SER 30 1.588 8.917 5.233
198 HB3 SER 30 2HB SER 30 0.754 8.251 3.829
199 HG SER 30 HG SER 30 -0.026 10.401 5.488
200 H HIS 31 H HIS 31 0.181 5.513 4.420
201 HA HIS 31 HA HIS 31 -2.262 5.651 2.924
202 HB2 HIS 31 1HB HIS 31 -0.391 4.631 1.844
203 HB3 HIS 31 2HB HIS 31 -0.134 3.526 3.191
204 HD1 HIS 31 HD1 HIS 31 -2.413 4.112 0.260
205 HD2 HIS 31 HD2 HIS 31 -1.652 1.210 3.133
206 HE1 HIS 31 HE1 HIS 31 -3.701 2.082 -0.477
207 H GLN 32 H GLN 32 -1.050 3.621 5.572
208 HA GLN 32 HA GLN 32 -3.151 1.866 5.848
209 HB2 GLN 32 1HB GLN 32 -1.548 3.149 8.067
210 HB3 GLN 32 2HB GLN 32 -2.514 1.688 8.223
211 HG2 GLN 32 1HG GLN 32 -1.027 0.782 6.317
212 HG3 GLN 32 2HG GLN 32 0.055 2.103 6.756
213 HE21 GLN 32 1HE2 GLN 32 -0.525 -1.063 7.226
214 HE22 GLN 32 2HE2 GLN 32 0.195 -1.278 8.781
215 H ARG 33 H ARG 33 -3.074 5.248 6.525
216 HA ARG 33 HA ARG 33 -5.124 5.487 8.401
217 HB2 ARG 33 1HB ARG 33 -4.565 7.415 6.144
218 HB3 ARG 33 2HB ARG 33 -5.328 7.780 7.685
219 HG2 ARG 33 1HG ARG 33 -2.484 6.845 7.370
220 HG3 ARG 33 2HG ARG 33 -2.978 8.531 7.533
221 HD2 ARG 33 1HD ARG 33 -3.923 6.586 9.573
222 HD3 ARG 33 2HD ARG 33 -2.231 7.079 9.619
223 HE ARG 33 HE ARG 33 -4.524 8.679 10.295
224 HH11 ARG 33 1HH1 ARG 33 -1.196 8.717 9.272
225 HH12 ARG 33 2HH1 ARG 33 -0.890 10.308 9.887
226 HH21 ARG 33 1HH2 ARG 33 -4.132 10.773 11.109
227 HH22 ARG 33 2HH2 ARG 33 -2.560 11.476 10.933
228 H THR 34 H THR 34 -5.234 4.904 4.964
229 HA THR 34 HA THR 34 -7.974 5.541 4.574
230 HB THR 34 HB THR 34 -7.788 4.532 2.429
231 HG1 THR 34 HG1 THR 34 -5.620 3.324 2.118
232 HG21 THR 34 3HG2 THR 34 -5.356 5.301 1.766
233 HG22 THR 34 1HG2 THR 34 -5.360 5.969 3.397
234 HG23 THR 34 2HG2 THR 34 -6.582 6.480 2.232
235 H HIS 35 H HIS 35 -6.318 2.781 5.837
236 HA HIS 35 HA HIS 35 -8.596 1.013 5.514
237 HB2 HIS 35 1HB HIS 35 -5.855 0.684 6.720
238 HB3 HIS 35 2HB HIS 35 -7.099 -0.550 6.898
239 HD1 HIS 35 HD1 HIS 35 -8.144 -1.315 4.423
240 HD2 HIS 35 HD2 HIS 35 -4.317 0.298 4.537
241 HE1 HIS 35 HE1 HIS 35 -7.047 -2.036 2.279
242 H ALA 36 H ALA 36 -8.162 3.530 7.422
243 HA ALA 36 HA ALA 36 -9.306 2.237 9.811
244 HB1 ALA 36 3HB ALA 36 -7.172 4.085 9.550
245 HB2 ALA 36 1HB ALA 36 -8.494 4.895 10.392
246 HB3 ALA 36 2HB ALA 36 -7.843 3.381 11.021
247 H GLY 37 H GLY 37 -9.557 5.020 7.636
248 HA2 GLY 37 1HA GLY 37 -11.507 6.563 8.603
249 HA3 GLY 37 2HA GLY 37 -11.513 6.063 6.918
250 H GLU 38 H GLU 38 -13.503 6.399 9.377
251 HA GLU 38 HA GLU 38 -15.265 4.280 8.434
252 HB2 GLU 38 1HB GLU 38 -14.216 4.509 11.226
253 HB3 GLU 38 2HB GLU 38 -15.857 3.932 10.974
254 HG2 GLU 38 1HG GLU 38 -14.723 2.303 9.285
255 HG3 GLU 38 2HG GLU 38 -13.268 2.673 10.209
256 H LYS 39 H LYS 39 -17.457 4.522 9.733
257 HA LYS 39 HA LYS 39 -18.060 7.399 9.942
258 HB2 LYS 39 1HB LYS 39 -18.969 6.618 7.854
259 HB3 LYS 39 2HB LYS 39 -19.698 5.222 8.637
260 HG2 LYS 39 1HG LYS 39 -21.142 6.780 9.930
261 HG3 LYS 39 2HG LYS 39 -20.484 8.108 8.972
262 HD2 LYS 39 1HD LYS 39 -21.366 7.158 6.948
263 HD3 LYS 39 2HD LYS 39 -21.877 5.701 7.804
264 HE2 LYS 39 1HE LYS 39 -22.901 8.325 8.757
265 HE3 LYS 39 2HE LYS 39 -23.561 7.672 7.259
266 HZ1 LYS 39 3HZ LYS 39 -24.715 6.139 8.365
267 HZ2 LYS 39 1HZ LYS 39 -24.406 7.049 9.758
268 HZ3 LYS 39 2HZ LYS 39 -23.416 5.733 9.371
269 HA PRO 40 HA PRO 40 -19.595 6.341 13.949
270 HB2 PRO 40 1HB PRO 40 -20.951 8.641 14.436
271 HB3 PRO 40 2HB PRO 40 -19.188 8.532 14.505
272 HG2 PRO 40 1HG PRO 40 -20.937 9.554 12.301
273 HG3 PRO 40 2HG PRO 40 -19.427 10.232 12.937
274 HD2 PRO 40 1HD PRO 40 -19.523 8.778 10.655
275 HD3 PRO 40 2HD PRO 40 -18.115 8.767 11.736
276 H SER 41 H SER 41 -21.811 6.623 15.138
277 HA SER 41 HA SER 41 -23.929 5.783 13.269
278 HB2 SER 41 1HB SER 41 -24.850 4.439 15.125
279 HB3 SER 41 2HB SER 41 -23.201 3.955 14.729
280 HG SER 41 HG SER 41 -23.513 5.913 16.681
281 H GLY 42 H GLY 42 -26.146 6.271 13.939
282 HA2 GLY 42 1HA GLY 42 -26.282 8.966 15.047
283 HA3 GLY 42 2HA GLY 42 -27.568 8.125 14.194
284 HA PRO 43 HA PRO 43 -29.508 7.441 18.075
285 HB2 PRO 43 1HB PRO 43 -31.089 5.336 17.410
286 HB3 PRO 43 2HB PRO 43 -31.415 6.989 16.876
287 HG2 PRO 43 1HG PRO 43 -30.108 4.742 15.392
288 HG3 PRO 43 2HG PRO 43 -31.311 5.912 14.818
289 HD2 PRO 43 1HD PRO 43 -28.669 6.154 14.275
290 HD3 PRO 43 2HD PRO 43 -29.735 7.559 14.483
291 H SER 44 H SER 44 -29.931 5.676 19.675
292 HA SER 44 HA SER 44 -27.643 4.403 20.482
293 HB2 SER 44 1HB SER 44 -30.462 3.422 20.991
294 HB3 SER 44 2HB SER 44 -29.037 3.058 21.965
295 HG SER 44 HG SER 44 -29.586 5.744 21.544
296 H SER 45 H SER 45 -26.717 2.407 20.226
297 HA SER 45 HA SER 45 -26.915 1.125 17.774
298 HB2 SER 45 1HB SER 45 -24.932 0.794 19.040
299 HB3 SER 45 2HB SER 45 -25.830 0.187 20.430
300 HG SER 45 HG SER 45 -24.725 -1.367 18.904
301 H GLY 46 H GLY 46 -28.448 -0.109 16.926
302 HA2 GLY 46 1HA GLY 46 -29.660 -2.261 18.344
303 HA3 GLY 46 2HA GLY 46 -30.773 -0.910 18.190
Start of MODEL 17
1 H1 GLY 1 H GLY 1 6.865 -19.523 -5.505
2 HA2 GLY 1 1HA GLY 1 5.315 -19.350 -7.773
3 HA3 GLY 1 2HA GLY 1 5.003 -17.860 -6.895
4 H SER 2 H SER 2 6.249 -16.202 -7.418
5 HA SER 2 HA SER 2 8.766 -16.731 -8.824
6 HB2 SER 2 1HB SER 2 8.565 -14.602 -9.814
7 HB3 SER 2 2HB SER 2 6.912 -15.215 -9.776
8 HG SER 2 HG SER 2 8.115 -13.326 -8.042
9 H SER 3 H SER 3 10.695 -16.238 -7.979
10 HA SER 3 HA SER 3 10.824 -14.459 -5.652
11 HB2 SER 3 1HB SER 3 12.096 -15.979 -4.346
12 HB3 SER 3 2HB SER 3 10.737 -16.918 -4.964
13 HG SER 3 HG SER 3 13.406 -16.896 -5.921
14 H GLY 4 H GLY 4 12.742 -13.322 -5.427
15 HA2 GLY 4 1HA GLY 4 15.173 -13.804 -6.651
16 HA3 GLY 4 2HA GLY 4 14.225 -12.901 -7.823
17 H SER 5 H SER 5 15.619 -12.814 -4.592
18 HA SER 5 HA SER 5 15.173 -9.925 -4.453
19 HB2 SER 5 1HB SER 5 14.654 -11.447 -2.491
20 HB3 SER 5 2HB SER 5 16.393 -11.688 -2.323
21 HG SER 5 HG SER 5 14.838 -9.486 -1.713
22 H SER 6 H SER 6 17.803 -12.301 -4.275
23 HA SER 6 HA SER 6 20.003 -10.844 -3.801
24 HB2 SER 6 1HB SER 6 20.046 -13.240 -4.402
25 HB3 SER 6 2HB SER 6 19.764 -12.814 -6.090
26 HG SER 6 HG SER 6 22.068 -12.631 -4.573
27 H GLY 7 H GLY 7 20.972 -9.089 -4.583
28 HA2 GLY 7 1HA GLY 7 21.869 -8.005 -6.625
29 HA3 GLY 7 2HA GLY 7 20.273 -8.233 -7.325
30 H THR 8 H THR 8 18.520 -6.966 -6.544
31 HA THR 8 HA THR 8 19.352 -4.566 -5.047
32 HB THR 8 HB THR 8 19.088 -3.929 -7.367
33 HG1 THR 8 HG1 THR 8 17.703 -2.256 -6.993
34 HG21 THR 8 3HG2 THR 8 16.765 -5.696 -7.201
35 HG22 THR 8 1HG2 THR 8 17.717 -5.208 -8.603
36 HG23 THR 8 2HG2 THR 8 16.427 -4.164 -8.006
37 H GLY 9 H GLY 9 17.890 -3.707 -3.589
38 HA2 GLY 9 1HA GLY 9 15.862 -5.556 -2.656
39 HA3 GLY 9 2HA GLY 9 16.367 -4.071 -1.864
40 H GLU 10 H GLU 10 13.850 -4.247 -1.668
41 HA GLU 10 HA GLU 10 12.781 -2.400 -3.661
42 HB2 GLU 10 1HB GLU 10 10.671 -3.696 -3.819
43 HB3 GLU 10 2HB GLU 10 12.054 -4.544 -4.496
44 HG2 GLU 10 1HG GLU 10 10.887 -6.169 -3.304
45 HG3 GLU 10 2HG GLU 10 12.229 -5.726 -2.252
46 H ASN 11 H ASN 11 10.513 -1.654 -2.934
47 HA ASN 11 HA ASN 11 10.562 -0.144 -0.742
48 HB2 ASN 11 1HB ASN 11 8.193 -1.701 -1.788
49 HB3 ASN 11 2HB ASN 11 8.054 -0.447 -0.559
50 HD21 ASN 11 1HD2 ASN 11 8.074 -1.113 -3.835
51 HD22 ASN 11 2HD2 ASN 11 8.207 0.504 -4.429
52 HA PRO 12 HA PRO 12 11.163 -3.316 2.430
53 HB2 PRO 12 1HB PRO 12 12.104 -1.575 4.289
54 HB3 PRO 12 2HB PRO 12 13.113 -2.242 3.000
55 HG2 PRO 12 1HG PRO 12 11.755 0.421 3.156
56 HG3 PRO 12 2HG PRO 12 13.392 0.031 2.598
57 HD2 PRO 12 1HD PRO 12 11.339 0.478 0.890
58 HD3 PRO 12 2HD PRO 12 12.658 -0.652 0.522
59 H TYR 13 H TYR 13 9.015 -0.758 2.118
60 HA TYR 13 HA TYR 13 7.646 -1.510 4.618
61 HB2 TYR 13 1HB TYR 13 7.496 1.188 3.265
62 HB3 TYR 13 2HB TYR 13 6.798 0.740 4.817
63 HD1 TYR 13 HD1 TYR 13 8.280 0.342 6.768
64 HD2 TYR 13 HD2 TYR 13 9.789 1.820 3.074
65 HE1 TYR 13 HE1 TYR 13 10.332 1.077 7.907
66 HE2 TYR 13 HE2 TYR 13 11.846 2.557 4.203
67 HH TYR 13 HH TYR 13 13.039 2.462 6.103
68 H GLU 14 H GLU 14 6.133 -2.915 3.930
69 HA GLU 14 HA GLU 14 4.377 -2.047 1.728
70 HB2 GLU 14 1HB GLU 14 5.542 -4.692 2.407
71 HB3 GLU 14 2HB GLU 14 3.889 -4.683 1.808
72 HG2 GLU 14 1HG GLU 14 4.494 -4.004 -0.275
73 HG3 GLU 14 2HG GLU 14 5.907 -3.122 0.301
74 H CYS 15 H CYS 15 2.176 -2.180 2.000
75 HA CYS 15 HA CYS 15 1.212 -2.064 4.681
76 HB2 CYS 15 1HB CYS 15 0.272 -0.747 2.768
77 HB3 CYS 15 2HB CYS 15 -0.405 -2.243 2.132
78 H HIS 16 H HIS 16 0.431 -3.633 5.929
79 HA HIS 16 HA HIS 16 0.276 -6.331 4.863
80 HB2 HIS 16 1HB HIS 16 -0.013 -6.994 7.233
81 HB3 HIS 16 2HB HIS 16 1.433 -6.022 6.977
82 HD1 HIS 16 HD1 HIS 16 1.748 -4.511 8.895
83 HD2 HIS 16 HD2 HIS 16 -2.270 -4.948 7.932
84 HE1 HIS 16 HE1 HIS 16 0.507 -3.027 10.502
85 H GLU 17 H GLU 17 -1.753 -4.183 4.272
86 HA GLU 17 HA GLU 17 -4.135 -5.621 5.244
87 HB2 GLU 17 1HB GLU 17 -3.989 -2.724 4.399
88 HB3 GLU 17 2HB GLU 17 -5.382 -3.551 5.082
89 HG2 GLU 17 1HG GLU 17 -4.022 -3.929 7.152
90 HG3 GLU 17 2HG GLU 17 -2.801 -2.865 6.458
91 H CYS 18 H CYS 18 -2.927 -3.653 2.533
92 HA CYS 18 HA CYS 18 -4.740 -5.130 0.748
93 HB2 CYS 18 1HB CYS 18 -4.463 -3.259 -0.823
94 HB3 CYS 18 2HB CYS 18 -5.075 -2.707 0.733
95 H GLY 19 H GLY 19 -1.426 -3.863 0.977
96 HA2 GLY 19 1HA GLY 19 0.307 -5.591 0.426
97 HA3 GLY 19 2HA GLY 19 -0.630 -5.877 -1.033
98 H LYS 20 H LYS 20 -0.292 -2.645 0.166
99 HA LYS 20 HA LYS 20 0.981 -1.816 -2.269
100 HB2 LYS 20 1HB LYS 20 -0.742 -0.528 -0.816
101 HB3 LYS 20 2HB LYS 20 0.652 -0.070 0.154
102 HG2 LYS 20 1HG LYS 20 1.620 1.140 -1.598
103 HG3 LYS 20 2HG LYS 20 0.582 0.382 -2.809
104 HD2 LYS 20 1HD LYS 20 -0.661 1.981 -0.617
105 HD3 LYS 20 2HD LYS 20 0.099 2.820 -1.971
106 HE2 LYS 20 1HE LYS 20 -1.897 0.623 -2.410
107 HE3 LYS 20 2HE LYS 20 -2.411 2.284 -2.121
108 HZ1 LYS 20 3HZ LYS 20 -0.654 2.720 -4.020
109 HZ2 LYS 20 1HZ LYS 20 -2.261 2.322 -4.368
110 HZ3 LYS 20 2HZ LYS 20 -1.061 1.133 -4.440
111 H ALA 21 H ALA 21 2.884 -0.235 -2.097
112 HA ALA 21 HA ALA 21 4.828 -1.101 -0.076
113 HB1 ALA 21 3HB ALA 21 5.827 -2.370 -1.624
114 HB2 ALA 21 1HB ALA 21 4.953 -1.605 -2.951
115 HB3 ALA 21 2HB ALA 21 6.404 -0.845 -2.296
116 H PHE 22 H PHE 22 6.371 0.423 0.483
117 HA PHE 22 HA PHE 22 6.281 3.018 -0.871
118 HB2 PHE 22 1HB PHE 22 6.103 2.754 2.135
119 HB3 PHE 22 2HB PHE 22 6.026 4.238 1.191
120 HD1 PHE 22 HD2 PHE 22 4.257 1.003 1.683
121 HD2 PHE 22 HD1 PHE 22 3.973 5.104 0.577
122 HE1 PHE 22 HE2 PHE 22 1.807 0.802 1.577
123 HE2 PHE 22 HE1 PHE 22 1.523 4.909 0.470
124 HZ PHE 22 HZ PHE 22 0.437 2.755 0.969
125 H SER 23 H SER 23 8.120 4.372 -0.436
126 HA SER 23 HA SER 23 10.548 2.885 -0.271
127 HB2 SER 23 1HB SER 23 9.970 5.131 -1.544
128 HB3 SER 23 2HB SER 23 10.525 5.867 -0.041
129 HG SER 23 HG SER 23 12.136 3.869 -1.082
130 H ARG 24 H ARG 24 9.078 5.376 1.805
131 HA ARG 24 HA ARG 24 10.950 4.629 3.940
132 HB2 ARG 24 1HB ARG 24 9.087 6.981 4.057
133 HB3 ARG 24 2HB ARG 24 10.617 6.742 4.891
134 HG2 ARG 24 1HG ARG 24 11.507 6.716 2.376
135 HG3 ARG 24 2HG ARG 24 10.076 7.726 2.160
136 HD2 ARG 24 1HD ARG 24 10.893 9.406 3.486
137 HD3 ARG 24 2HD ARG 24 11.892 8.311 4.442
138 HE ARG 24 HE ARG 24 12.731 8.613 1.699
139 HH11 ARG 24 1HH1 ARG 24 13.007 9.811 4.956
140 HH12 ARG 24 2HH1 ARG 24 14.554 10.545 4.694
141 HH21 ARG 24 1HH2 ARG 24 14.768 9.575 1.342
142 HH22 ARG 24 2HH2 ARG 24 15.555 10.411 2.638
143 H LYS 25 H LYS 25 9.915 4.913 6.210
144 HA LYS 25 HA LYS 25 7.859 2.951 6.432
145 HB2 LYS 25 1HB LYS 25 9.550 3.091 8.145
146 HB3 LYS 25 2HB LYS 25 9.141 4.768 8.477
147 HG2 LYS 25 1HG LYS 25 8.041 3.781 10.195
148 HG3 LYS 25 2HG LYS 25 6.768 3.705 8.975
149 HD2 LYS 25 1HD LYS 25 7.740 1.406 8.384
150 HD3 LYS 25 2HD LYS 25 8.597 1.519 9.923
151 HE2 LYS 25 1HE LYS 25 6.711 0.461 10.636
152 HE3 LYS 25 2HE LYS 25 6.172 2.132 10.799
153 HZ1 LYS 25 3HZ LYS 25 5.299 0.080 8.950
154 HZ2 LYS 25 1HZ LYS 25 5.505 1.614 8.267
155 HZ3 LYS 25 2HZ LYS 25 4.455 1.405 9.576
156 H TYR 26 H TYR 26 7.979 6.447 7.070
157 HA TYR 26 HA TYR 26 5.336 6.754 7.925
158 HB2 TYR 26 1HB TYR 26 5.746 9.007 7.889
159 HB3 TYR 26 2HB TYR 26 7.404 8.424 7.810
160 HD1 TYR 26 HD1 TYR 26 8.542 8.313 5.558
161 HD2 TYR 26 HD2 TYR 26 4.837 10.318 6.154
162 HE1 TYR 26 HE1 TYR 26 8.885 9.556 3.463
163 HE2 TYR 26 HE2 TYR 26 5.169 11.566 4.060
164 HH TYR 26 HH TYR 26 6.397 11.421 2.005
165 H GLN 27 H GLN 27 6.738 6.810 4.685
166 HA GLN 27 HA GLN 27 4.597 7.733 3.211
167 HB2 GLN 27 1HB GLN 27 6.674 5.651 2.541
168 HB3 GLN 27 2HB GLN 27 5.510 6.247 1.365
169 HG2 GLN 27 1HG GLN 27 6.402 8.580 2.006
170 HG3 GLN 27 2HG GLN 27 7.768 7.694 2.682
171 HE21 GLN 27 1HE2 GLN 27 8.766 9.131 0.959
172 HE22 GLN 27 2HE2 GLN 27 8.948 8.429 -0.609
173 H LEU 28 H LEU 28 5.003 4.673 4.797
174 HA LEU 28 HA LEU 28 2.789 3.432 3.398
175 HB2 LEU 28 1HB LEU 28 4.389 1.861 3.921
176 HB3 LEU 28 2HB LEU 28 4.739 2.586 5.489
177 HG LEU 28 HG LEU 28 2.724 1.641 6.424
178 HD11 LEU 28 1HD1 LEU 28 1.061 1.581 4.872
179 HD12 LEU 28 2HD1 LEU 28 1.575 -0.104 4.800
180 HD13 LEU 28 3HD1 LEU 28 2.131 1.039 3.578
181 HD21 LEU 28 3HD2 LEU 28 4.410 -0.314 4.872
182 HD22 LEU 28 1HD2 LEU 28 3.236 -0.792 6.099
183 HD23 LEU 28 2HD2 LEU 28 4.620 0.208 6.545
184 H ILE 29 H ILE 29 3.496 4.523 6.708
185 HA ILE 29 HA ILE 29 1.150 3.874 7.970
186 HB ILE 29 HB ILE 29 3.048 6.157 8.321
187 HG12 ILE 29 1HG1 ILE 29 2.978 4.976 10.684
188 HG13 ILE 29 2HG1 ILE 29 2.294 3.644 9.758
189 HG21 ILE 29 1HG2 ILE 29 0.291 5.989 9.386
190 HG22 ILE 29 2HG2 ILE 29 1.557 6.490 10.506
191 HG23 ILE 29 3HG2 ILE 29 1.283 7.400 9.020
192 HD11 ILE 29 3HD1 ILE 29 4.257 3.134 8.813
193 HD12 ILE 29 1HD1 ILE 29 4.723 4.823 8.617
194 HD13 ILE 29 2HD1 ILE 29 4.931 4.026 10.177
195 H SER 30 H SER 30 1.817 6.891 6.195
196 HA SER 30 HA SER 30 -0.586 8.180 6.533
197 HB2 SER 30 1HB SER 30 1.499 9.001 5.304
198 HB3 SER 30 2HB SER 30 0.870 8.158 3.889
199 HG SER 30 HG SER 30 -1.144 9.523 4.713
200 H HIS 31 H HIS 31 0.201 5.582 4.290
201 HA HIS 31 HA HIS 31 -2.234 5.677 2.834
202 HB2 HIS 31 1HB HIS 31 -0.396 4.593 1.790
203 HB3 HIS 31 2HB HIS 31 -0.130 3.545 3.179
204 HD1 HIS 31 HD1 HIS 31 -2.600 4.073 0.363
205 HD2 HIS 31 HD2 HIS 31 -1.464 1.157 3.095
206 HE1 HIS 31 HE1 HIS 31 -3.841 1.994 -0.318
207 H GLN 32 H GLN 32 -1.095 3.509 5.423
208 HA GLN 32 HA GLN 32 -3.254 1.873 5.721
209 HB2 GLN 32 1HB GLN 32 -1.704 3.111 8.001
210 HB3 GLN 32 2HB GLN 32 -2.629 1.617 8.062
211 HG2 GLN 32 1HG GLN 32 -1.070 0.780 6.226
212 HG3 GLN 32 2HG GLN 32 -0.055 2.163 6.631
213 HE21 GLN 32 1HE2 GLN 32 -0.614 -1.028 7.240
214 HE22 GLN 32 2HE2 GLN 32 0.183 -1.170 8.766
215 H ARG 33 H ARG 33 -3.011 5.239 6.597
216 HA ARG 33 HA ARG 33 -5.035 5.595 8.399
217 HB2 ARG 33 1HB ARG 33 -4.489 7.371 6.013
218 HB3 ARG 33 2HB ARG 33 -5.314 7.845 7.492
219 HG2 ARG 33 1HG ARG 33 -2.513 6.795 7.566
220 HG3 ARG 33 2HG ARG 33 -2.846 8.487 7.189
221 HD2 ARG 33 1HD ARG 33 -3.858 8.854 9.294
222 HD3 ARG 33 2HD ARG 33 -3.943 7.126 9.636
223 HE ARG 33 HE ARG 33 -1.769 7.194 10.361
224 HH11 ARG 33 1HH1 ARG 33 -2.495 10.119 8.620
225 HH12 ARG 33 2HH1 ARG 33 -1.013 10.903 9.057
226 HH21 ARG 33 1HH2 ARG 33 0.186 8.214 10.945
227 HH22 ARG 33 2HH2 ARG 33 0.511 9.818 10.379
228 H THR 34 H THR 34 -5.315 4.992 4.950
229 HA THR 34 HA THR 34 -8.062 5.565 4.679
230 HB THR 34 HB THR 34 -7.982 4.438 2.580
231 HG1 THR 34 HG1 THR 34 -6.958 2.591 2.543
232 HG21 THR 34 3HG2 THR 34 -5.382 5.156 2.003
233 HG22 THR 34 1HG2 THR 34 -5.779 6.164 3.393
234 HG23 THR 34 2HG2 THR 34 -6.785 6.223 1.946
235 H HIS 35 H HIS 35 -6.320 2.617 5.537
236 HA HIS 35 HA HIS 35 -8.617 0.931 5.528
237 HB2 HIS 35 1HB HIS 35 -5.854 0.649 6.701
238 HB3 HIS 35 2HB HIS 35 -7.087 -0.593 6.901
239 HD1 HIS 35 HD1 HIS 35 -8.094 -1.496 4.499
240 HD2 HIS 35 HD2 HIS 35 -4.373 0.353 4.456
241 HE1 HIS 35 HE1 HIS 35 -7.015 -2.207 2.341
242 H ALA 36 H ALA 36 -6.909 2.760 8.019
243 HA ALA 36 HA ALA 36 -7.892 1.890 10.356
244 HB1 ALA 36 3HB ALA 36 -6.870 4.343 9.418
245 HB2 ALA 36 1HB ALA 36 -8.306 4.716 10.372
246 HB3 ALA 36 2HB ALA 36 -6.991 3.781 11.085
247 H GLY 37 H GLY 37 -9.736 2.271 11.669
248 HA2 GLY 37 1HA GLY 37 -12.146 3.136 10.205
249 HA3 GLY 37 2HA GLY 37 -12.141 1.627 11.106
250 H GLU 38 H GLU 38 -11.177 5.013 11.696
251 HA GLU 38 HA GLU 38 -12.936 5.058 14.027
252 HB2 GLU 38 1HB GLU 38 -10.014 5.820 14.170
253 HB3 GLU 38 2HB GLU 38 -11.185 5.968 15.473
254 HG2 GLU 38 1HG GLU 38 -11.388 3.611 15.672
255 HG3 GLU 38 2HG GLU 38 -10.465 3.346 14.194
256 H LYS 39 H LYS 39 -13.458 7.180 14.765
257 HA LYS 39 HA LYS 39 -13.339 9.150 12.622
258 HB2 LYS 39 1HB LYS 39 -15.099 10.294 13.771
259 HB3 LYS 39 2HB LYS 39 -15.489 8.579 13.780
260 HG2 LYS 39 1HG LYS 39 -14.422 8.531 16.101
261 HG3 LYS 39 2HG LYS 39 -14.532 10.292 16.044
262 HD2 LYS 39 1HD LYS 39 -16.501 9.644 17.117
263 HD3 LYS 39 2HD LYS 39 -17.004 9.912 15.446
264 HE2 LYS 39 1HE LYS 39 -16.952 7.548 15.000
265 HE3 LYS 39 2HE LYS 39 -16.271 7.221 16.593
266 HZ1 LYS 39 3HZ LYS 39 -18.843 7.011 16.091
267 HZ2 LYS 39 1HZ LYS 39 -18.812 8.653 16.498
268 HZ3 LYS 39 2HZ LYS 39 -18.262 7.497 17.604
269 HA PRO 40 HA PRO 40 -10.160 11.550 14.503
270 HB2 PRO 40 1HB PRO 40 -10.682 13.936 13.317
271 HB3 PRO 40 2HB PRO 40 -9.941 12.580 12.460
272 HG2 PRO 40 1HG PRO 40 -12.794 13.485 12.464
273 HG3 PRO 40 2HG PRO 40 -11.790 12.955 11.102
274 HD2 PRO 40 1HD PRO 40 -13.604 11.335 12.292
275 HD3 PRO 40 2HD PRO 40 -12.097 10.721 11.582
276 H SER 41 H SER 41 -13.510 12.212 14.890
277 HA SER 41 HA SER 41 -13.639 14.539 16.318
278 HB2 SER 41 1HB SER 41 -15.464 12.709 15.723
279 HB3 SER 41 2HB SER 41 -15.169 12.206 17.387
280 HG SER 41 HG SER 41 -16.728 13.710 17.562
281 H GLY 42 H GLY 42 -13.172 15.231 18.350
282 HA2 GLY 42 1HA GLY 42 -11.097 14.098 19.793
283 HA3 GLY 42 2HA GLY 42 -12.243 15.258 20.450
284 HA PRO 43 HA PRO 43 -12.847 10.725 22.013
285 HB2 PRO 43 1HB PRO 43 -11.017 10.558 24.011
286 HB3 PRO 43 2HB PRO 43 -10.684 10.030 22.357
287 HG2 PRO 43 1HG PRO 43 -9.938 12.593 23.714
288 HG3 PRO 43 2HG PRO 43 -8.962 11.567 22.647
289 HD2 PRO 43 1HD PRO 43 -10.178 13.827 21.783
290 HD3 PRO 43 2HD PRO 43 -9.933 12.414 20.736
291 H SER 44 H SER 44 -14.720 12.089 22.620
292 HA SER 44 HA SER 44 -16.008 13.312 24.106
293 HB2 SER 44 1HB SER 44 -15.001 11.109 25.921
294 HB3 SER 44 2HB SER 44 -16.521 11.990 26.075
295 HG SER 44 HG SER 44 -15.974 9.814 24.602
296 H SER 45 H SER 45 -13.546 14.562 23.919
297 HA SER 45 HA SER 45 -12.884 15.238 26.706
298 HB2 SER 45 1HB SER 45 -10.780 16.170 25.796
299 HB3 SER 45 2HB SER 45 -10.968 14.462 25.402
300 HG SER 45 HG SER 45 -12.067 15.638 23.410
301 H GLY 46 H GLY 46 -12.193 17.581 26.995
302 HA2 GLY 46 1HA GLY 46 -14.377 19.257 26.340
303 HA3 GLY 46 2HA GLY 46 -12.871 19.774 27.085
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -1.065 -21.115 -23.125
2 HA2 GLY 1 1HA GLY 1 -0.064 -18.564 -24.234
3 HA3 GLY 1 2HA GLY 1 -1.452 -18.666 -23.161
4 H SER 2 H SER 2 1.163 -17.232 -22.948
5 HA SER 2 HA SER 2 1.988 -18.352 -20.349
6 HB2 SER 2 1HB SER 2 3.629 -17.259 -22.602
7 HB3 SER 2 2HB SER 2 4.210 -17.071 -20.948
8 HG SER 2 HG SER 2 4.957 -19.015 -21.293
9 H SER 3 H SER 3 1.945 -17.014 -18.643
10 HA SER 3 HA SER 3 0.807 -14.390 -18.984
11 HB2 SER 3 1HB SER 3 0.293 -16.044 -17.088
12 HB3 SER 3 2HB SER 3 1.832 -15.539 -16.391
13 HG SER 3 HG SER 3 0.979 -13.688 -15.840
14 H GLY 4 H GLY 4 1.750 -12.501 -17.780
15 HA2 GLY 4 1HA GLY 4 4.699 -12.522 -17.912
16 HA3 GLY 4 2HA GLY 4 3.767 -11.230 -18.654
17 H SER 5 H SER 5 4.513 -12.783 -15.567
18 HA SER 5 HA SER 5 3.274 -10.880 -13.909
19 HB2 SER 5 1HB SER 5 3.886 -12.981 -12.952
20 HB3 SER 5 2HB SER 5 5.572 -12.781 -13.426
21 HG SER 5 HG SER 5 4.758 -12.252 -11.132
22 H SER 6 H SER 6 3.797 -8.859 -13.412
23 HA SER 6 HA SER 6 6.579 -7.996 -13.492
24 HB2 SER 6 1HB SER 6 5.959 -5.968 -14.837
25 HB3 SER 6 2HB SER 6 5.878 -7.481 -15.740
26 HG SER 6 HG SER 6 4.024 -5.832 -15.767
27 H GLY 7 H GLY 7 6.828 -7.252 -11.485
28 HA2 GLY 7 1HA GLY 7 4.943 -5.208 -10.535
29 HA3 GLY 7 2HA GLY 7 5.294 -6.583 -9.498
30 H THR 8 H THR 8 6.815 -3.878 -11.208
31 HA THR 8 HA THR 8 9.246 -4.075 -9.684
32 HB THR 8 HB THR 8 9.308 -3.205 -11.969
33 HG1 THR 8 HG1 THR 8 10.983 -2.221 -11.127
34 HG21 THR 8 3HG2 THR 8 8.388 -1.015 -12.514
35 HG22 THR 8 1HG2 THR 8 7.733 -0.866 -10.883
36 HG23 THR 8 2HG2 THR 8 7.107 -2.101 -11.976
37 H GLY 9 H GLY 9 9.922 -2.811 -7.992
38 HA2 GLY 9 1HA GLY 9 9.202 -0.471 -6.984
39 HA3 GLY 9 2HA GLY 9 7.800 -1.432 -6.536
40 H GLU 10 H GLU 10 11.308 -1.182 -6.176
41 HA GLU 10 HA GLU 10 11.448 -3.128 -4.085
42 HB2 GLU 10 1HB GLU 10 13.376 -2.636 -5.523
43 HB3 GLU 10 2HB GLU 10 13.428 -0.993 -4.900
44 HG2 GLU 10 1HG GLU 10 15.126 -2.325 -3.840
45 HG3 GLU 10 2HG GLU 10 13.899 -1.874 -2.658
46 H ASN 11 H ASN 11 9.962 -2.507 -2.510
47 HA ASN 11 HA ASN 11 10.805 -0.199 -0.894
48 HB2 ASN 11 1HB ASN 11 8.041 -0.927 -1.818
49 HB3 ASN 11 2HB ASN 11 8.270 -0.036 -0.316
50 HD21 ASN 11 1HD2 ASN 11 6.844 1.122 -2.264
51 HD22 ASN 11 2HD2 ASN 11 7.733 2.411 -2.994
52 HA PRO 12 HA PRO 12 11.021 -3.500 2.111
53 HB2 PRO 12 1HB PRO 12 12.026 -1.960 4.108
54 HB3 PRO 12 2HB PRO 12 13.013 -2.567 2.774
55 HG2 PRO 12 1HG PRO 12 11.778 0.135 3.140
56 HG3 PRO 12 2HG PRO 12 13.400 -0.284 2.558
57 HD2 PRO 12 1HD PRO 12 11.383 0.394 0.884
58 HD3 PRO 12 2HD PRO 12 12.651 -0.763 0.431
59 H TYR 13 H TYR 13 9.050 -0.754 2.058
60 HA TYR 13 HA TYR 13 7.660 -1.599 4.514
61 HB2 TYR 13 1HB TYR 13 7.524 1.104 3.164
62 HB3 TYR 13 2HB TYR 13 6.797 0.660 4.704
63 HD1 TYR 13 HD2 TYR 13 9.928 1.473 2.980
64 HD2 TYR 13 HD1 TYR 13 8.140 0.482 6.711
65 HE1 TYR 13 HE2 TYR 13 11.975 2.186 4.143
66 HE2 TYR 13 HE1 TYR 13 10.181 1.193 7.885
67 HH TYR 13 HH TYR 13 12.243 1.981 7.681
68 H GLU 14 H GLU 14 6.121 -2.989 3.865
69 HA GLU 14 HA GLU 14 4.340 -2.126 1.681
70 HB2 GLU 14 1HB GLU 14 5.486 -4.779 2.372
71 HB3 GLU 14 2HB GLU 14 3.831 -4.753 1.780
72 HG2 GLU 14 1HG GLU 14 4.435 -4.096 -0.310
73 HG3 GLU 14 2HG GLU 14 5.861 -3.227 0.254
74 H CYS 15 H CYS 15 2.147 -2.214 1.993
75 HA CYS 15 HA CYS 15 1.226 -2.094 4.689
76 HB2 CYS 15 1HB CYS 15 0.293 -0.758 2.771
77 HB3 CYS 15 2HB CYS 15 -0.454 -2.239 2.181
78 H HIS 16 H HIS 16 0.579 -3.706 5.945
79 HA HIS 16 HA HIS 16 0.301 -6.371 4.853
80 HB2 HIS 16 1HB HIS 16 0.198 -7.111 7.156
81 HB3 HIS 16 2HB HIS 16 1.512 -5.951 6.984
82 HD1 HIS 16 HD1 HIS 16 0.081 -6.588 9.703
83 HD2 HIS 16 HD2 HIS 16 -0.759 -3.352 7.236
84 HE1 HIS 16 HE1 HIS 16 -0.960 -4.855 11.199
85 H GLU 17 H GLU 17 -1.701 -4.336 4.168
86 HA GLU 17 HA GLU 17 -4.080 -5.701 5.243
87 HB2 GLU 17 1HB GLU 17 -3.846 -2.785 4.480
88 HB3 GLU 17 2HB GLU 17 -5.311 -3.584 5.031
89 HG2 GLU 17 1HG GLU 17 -3.971 -4.151 7.142
90 HG3 GLU 17 2HG GLU 17 -2.838 -2.922 6.581
91 H CYS 18 H CYS 18 -2.943 -3.683 2.534
92 HA CYS 18 HA CYS 18 -4.786 -5.145 0.768
93 HB2 CYS 18 1HB CYS 18 -4.497 -3.247 -0.795
94 HB3 CYS 18 2HB CYS 18 -5.141 -2.739 0.763
95 H GLY 19 H GLY 19 -1.471 -3.855 0.909
96 HA2 GLY 19 1HA GLY 19 0.249 -5.592 0.309
97 HA3 GLY 19 2HA GLY 19 -0.720 -5.854 -1.133
98 H LYS 20 H LYS 20 -0.173 -2.682 0.236
99 HA LYS 20 HA LYS 20 1.001 -1.804 -2.257
100 HB2 LYS 20 1HB LYS 20 -0.680 -0.564 -0.613
101 HB3 LYS 20 2HB LYS 20 0.821 -0.013 0.120
102 HG2 LYS 20 1HG LYS 20 1.377 1.289 -1.656
103 HG3 LYS 20 2HG LYS 20 0.562 0.242 -2.821
104 HD2 LYS 20 1HD LYS 20 -1.579 1.083 -1.486
105 HD3 LYS 20 2HD LYS 20 -0.519 2.458 -1.166
106 HE2 LYS 20 1HE LYS 20 -1.879 2.824 -3.163
107 HE3 LYS 20 2HE LYS 20 -0.162 2.754 -3.558
108 HZ1 LYS 20 3HZ LYS 20 -1.074 0.168 -3.777
109 HZ2 LYS 20 1HZ LYS 20 -0.690 1.218 -5.047
110 HZ3 LYS 20 2HZ LYS 20 -2.283 1.112 -4.491
111 H ALA 21 H ALA 21 2.857 -0.070 -1.892
112 HA ALA 21 HA ALA 21 4.828 -1.027 0.038
113 HB1 ALA 21 3HB ALA 21 6.050 -0.633 -2.571
114 HB2 ALA 21 1HB ALA 21 6.244 -1.952 -1.415
115 HB3 ALA 21 2HB ALA 21 4.893 -1.964 -2.551
116 H PHE 22 H PHE 22 6.456 0.472 0.526
117 HA PHE 22 HA PHE 22 6.389 3.065 -0.801
118 HB2 PHE 22 1HB PHE 22 6.095 2.879 2.198
119 HB3 PHE 22 2HB PHE 22 6.008 4.325 1.198
120 HD1 PHE 22 HD2 PHE 22 4.303 1.072 1.776
121 HD2 PHE 22 HD1 PHE 22 3.955 5.112 0.483
122 HE1 PHE 22 HE2 PHE 22 1.863 0.805 1.611
123 HE2 PHE 22 HE1 PHE 22 1.514 4.852 0.317
124 HZ PHE 22 HZ PHE 22 0.465 2.696 0.880
125 H SER 23 H SER 23 8.275 4.268 -0.568
126 HA SER 23 HA SER 23 10.645 2.799 -0.166
127 HB2 SER 23 1HB SER 23 10.164 5.777 -0.387
128 HB3 SER 23 2HB SER 23 11.769 5.046 -0.343
129 HG SER 23 HG SER 23 11.309 3.982 -2.254
130 H ARG 24 H ARG 24 9.132 5.357 1.792
131 HA ARG 24 HA ARG 24 10.911 4.635 4.014
132 HB2 ARG 24 1HB ARG 24 9.101 7.024 4.040
133 HB3 ARG 24 2HB ARG 24 10.630 6.780 4.874
134 HG2 ARG 24 1HG ARG 24 11.547 6.695 2.392
135 HG3 ARG 24 2HG ARG 24 10.100 7.661 2.095
136 HD2 ARG 24 1HD ARG 24 11.837 9.201 2.532
137 HD3 ARG 24 2HD ARG 24 10.854 9.144 3.995
138 HE ARG 24 HE ARG 24 12.970 7.294 4.199
139 HH11 ARG 24 1HH1 ARG 24 12.353 10.720 4.226
140 HH12 ARG 24 2HH1 ARG 24 13.716 11.090 5.230
141 HH21 ARG 24 1HH2 ARG 24 14.768 7.768 5.520
142 HH22 ARG 24 2HH2 ARG 24 15.089 9.410 5.964
143 H LYS 25 H LYS 25 9.910 4.754 6.218
144 HA LYS 25 HA LYS 25 7.759 2.938 6.398
145 HB2 LYS 25 1HB LYS 25 9.371 3.013 8.168
146 HB3 LYS 25 2HB LYS 25 9.067 4.722 8.452
147 HG2 LYS 25 1HG LYS 25 7.871 3.837 10.166
148 HG3 LYS 25 2HG LYS 25 6.620 3.844 8.921
149 HD2 LYS 25 1HD LYS 25 8.363 1.447 9.121
150 HD3 LYS 25 2HD LYS 25 7.150 1.689 10.380
151 HE2 LYS 25 1HE LYS 25 5.385 1.716 8.769
152 HE3 LYS 25 2HE LYS 25 6.533 1.748 7.431
153 HZ1 LYS 25 3HZ LYS 25 5.564 -0.487 8.962
154 HZ2 LYS 25 1HZ LYS 25 7.245 -0.481 8.776
155 HZ3 LYS 25 2HZ LYS 25 6.244 -0.450 7.414
156 H TYR 26 H TYR 26 7.931 6.406 7.207
157 HA TYR 26 HA TYR 26 5.297 6.801 7.937
158 HB2 TYR 26 1HB TYR 26 5.762 9.042 7.871
159 HB3 TYR 26 2HB TYR 26 7.408 8.421 7.801
160 HD1 TYR 26 HD1 TYR 26 8.592 8.330 5.603
161 HD2 TYR 26 HD2 TYR 26 4.831 10.266 6.062
162 HE1 TYR 26 HE1 TYR 26 8.960 9.533 3.489
163 HE2 TYR 26 HE2 TYR 26 5.188 11.474 3.949
164 HH TYR 26 HH TYR 26 8.220 11.174 2.152
165 H GLN 27 H GLN 27 6.726 6.825 4.702
166 HA GLN 27 HA GLN 27 4.579 7.736 3.221
167 HB2 GLN 27 1HB GLN 27 6.680 5.679 2.547
168 HB3 GLN 27 2HB GLN 27 5.521 6.282 1.370
169 HG2 GLN 27 1HG GLN 27 6.409 8.616 2.099
170 HG3 GLN 27 2HG GLN 27 7.793 7.694 2.685
171 HE21 GLN 27 1HE2 GLN 27 8.595 9.318 0.933
172 HE22 GLN 27 2HE2 GLN 27 8.772 8.642 -0.647
173 H LEU 28 H LEU 28 4.992 4.703 4.835
174 HA LEU 28 HA LEU 28 2.801 3.436 3.411
175 HB2 LEU 28 1HB LEU 28 4.408 1.869 3.903
176 HB3 LEU 28 2HB LEU 28 4.781 2.589 5.468
177 HG LEU 28 HG LEU 28 2.789 1.628 6.434
178 HD11 LEU 28 1HD1 LEU 28 1.062 1.452 5.009
179 HD12 LEU 28 2HD1 LEU 28 1.718 -0.157 4.709
180 HD13 LEU 28 3HD1 LEU 28 2.103 1.170 3.614
181 HD21 LEU 28 3HD2 LEU 28 3.903 -0.256 6.805
182 HD22 LEU 28 1HD2 LEU 28 4.993 0.182 5.490
183 HD23 LEU 28 2HD2 LEU 28 3.582 -0.826 5.167
184 H ILE 29 H ILE 29 3.500 4.669 6.656
185 HA ILE 29 HA ILE 29 1.160 3.928 7.945
186 HB ILE 29 HB ILE 29 3.009 6.260 8.320
187 HG12 ILE 29 1HG1 ILE 29 3.349 5.065 10.524
188 HG13 ILE 29 2HG1 ILE 29 2.335 3.771 9.895
189 HG21 ILE 29 1HG2 ILE 29 1.518 6.302 10.587
190 HG22 ILE 29 2HG2 ILE 29 1.300 7.399 9.225
191 HG23 ILE 29 3HG2 ILE 29 0.287 5.963 9.371
192 HD11 ILE 29 3HD1 ILE 29 4.857 4.713 8.559
193 HD12 ILE 29 1HD1 ILE 29 4.787 3.377 9.709
194 HD13 ILE 29 2HD1 ILE 29 3.908 3.275 8.183
195 H SER 30 H SER 30 1.825 6.861 6.056
196 HA SER 30 HA SER 30 -0.583 8.184 6.456
197 HB2 SER 30 1HB SER 30 1.590 8.897 5.172
198 HB3 SER 30 2HB SER 30 0.741 8.254 3.766
199 HG SER 30 HG SER 30 0.110 10.457 5.382
200 H HIS 31 H HIS 31 0.209 5.540 4.296
201 HA HIS 31 HA HIS 31 -2.211 5.662 2.786
202 HB2 HIS 31 1HB HIS 31 -0.364 4.602 1.735
203 HB3 HIS 31 2HB HIS 31 -0.088 3.546 3.118
204 HD1 HIS 31 HD1 HIS 31 -2.375 4.001 0.171
205 HD2 HIS 31 HD2 HIS 31 -1.584 1.214 3.148
206 HE1 HIS 31 HE1 HIS 31 -3.641 1.932 -0.492
207 H GLN 32 H GLN 32 -1.074 3.589 5.442
208 HA GLN 32 HA GLN 32 -3.201 1.882 5.702
209 HB2 GLN 32 1HB GLN 32 -1.685 3.171 7.978
210 HB3 GLN 32 2HB GLN 32 -2.609 1.677 8.067
211 HG2 GLN 32 1HG GLN 32 -1.035 0.815 6.245
212 HG3 GLN 32 2HG GLN 32 -0.020 2.196 6.656
213 HE21 GLN 32 1HE2 GLN 32 -0.586 -0.988 7.269
214 HE22 GLN 32 2HE2 GLN 32 0.180 -1.124 8.811
215 H ARG 33 H ARG 33 -2.999 5.246 6.659
216 HA ARG 33 HA ARG 33 -5.052 5.588 8.398
217 HB2 ARG 33 1HB ARG 33 -4.593 7.357 5.991
218 HB3 ARG 33 2HB ARG 33 -5.351 7.822 7.508
219 HG2 ARG 33 1HG ARG 33 -2.473 7.021 7.128
220 HG3 ARG 33 2HG ARG 33 -3.083 8.656 7.394
221 HD2 ARG 33 1HD ARG 33 -4.146 7.514 9.533
222 HD3 ARG 33 2HD ARG 33 -2.808 6.389 9.298
223 HE ARG 33 HE ARG 33 -2.062 9.178 9.280
224 HH11 ARG 33 1HH1 ARG 33 -2.525 6.313 11.203
225 HH12 ARG 33 2HH1 ARG 33 -1.476 6.841 12.477
226 HH21 ARG 33 1HH2 ARG 33 -0.679 9.884 10.950
227 HH22 ARG 33 2HH2 ARG 33 -0.428 8.873 12.333
228 H THR 34 H THR 34 -5.321 5.024 4.931
229 HA THR 34 HA THR 34 -8.060 5.518 4.629
230 HB THR 34 HB THR 34 -7.957 4.282 2.581
231 HG1 THR 34 HG1 THR 34 -6.949 2.401 2.993
232 HG21 THR 34 3HG2 THR 34 -5.486 5.062 1.845
233 HG22 THR 34 1HG2 THR 34 -5.673 6.004 3.323
234 HG23 THR 34 2HG2 THR 34 -6.844 6.173 2.015
235 H HIS 35 H HIS 35 -6.324 2.593 5.589
236 HA HIS 35 HA HIS 35 -8.647 0.934 5.648
237 HB2 HIS 35 1HB HIS 35 -5.878 0.619 6.808
238 HB3 HIS 35 2HB HIS 35 -7.129 -0.610 6.973
239 HD1 HIS 35 HD1 HIS 35 -8.133 -1.429 4.528
240 HD2 HIS 35 HD2 HIS 35 -4.359 0.306 4.594
241 HE1 HIS 35 HE1 HIS 35 -7.034 -2.128 2.377
242 H ALA 36 H ALA 36 -6.816 2.731 8.085
243 HA ALA 36 HA ALA 36 -8.006 1.848 10.401
244 HB1 ALA 36 3HB ALA 36 -6.496 3.330 11.096
245 HB2 ALA 36 1HB ALA 36 -6.548 4.213 9.570
246 HB3 ALA 36 2HB ALA 36 -7.728 4.564 10.833
247 H GLY 37 H GLY 37 -9.884 2.225 11.491
248 HA2 GLY 37 1HA GLY 37 -11.719 4.296 10.748
249 HA3 GLY 37 2HA GLY 37 -12.236 2.719 10.169
250 H GLU 38 H GLU 38 -14.086 3.364 11.628
251 HA GLU 38 HA GLU 38 -13.756 1.978 14.144
252 HB2 GLU 38 1HB GLU 38 -14.520 4.897 14.037
253 HB3 GLU 38 2HB GLU 38 -14.809 3.870 15.434
254 HG2 GLU 38 1HG GLU 38 -12.337 3.406 15.464
255 HG3 GLU 38 2HG GLU 38 -12.168 4.683 14.261
256 H LYS 39 H LYS 39 -15.955 2.017 15.361
257 HA LYS 39 HA LYS 39 -17.920 1.034 13.526
258 HB2 LYS 39 1HB LYS 39 -17.950 1.450 16.516
259 HB3 LYS 39 2HB LYS 39 -19.301 0.761 15.625
260 HG2 LYS 39 1HG LYS 39 -18.146 -1.085 16.450
261 HG3 LYS 39 2HG LYS 39 -17.625 -0.965 14.767
262 HD2 LYS 39 1HD LYS 39 -15.524 -0.141 15.350
263 HD3 LYS 39 2HD LYS 39 -16.060 0.358 16.956
264 HE2 LYS 39 1HE LYS 39 -16.125 -2.534 16.218
265 HE3 LYS 39 2HE LYS 39 -14.587 -1.786 16.646
266 HZ1 LYS 39 3HZ LYS 39 -16.360 -0.966 18.579
267 HZ2 LYS 39 1HZ LYS 39 -15.145 -2.130 18.749
268 HZ3 LYS 39 2HZ LYS 39 -16.717 -2.602 18.340
269 HA PRO 40 HA PRO 40 -20.269 4.686 12.836
270 HB2 PRO 40 1HB PRO 40 -22.708 3.590 12.372
271 HB3 PRO 40 2HB PRO 40 -21.378 3.498 11.212
272 HG2 PRO 40 1HG PRO 40 -22.324 1.446 13.176
273 HG3 PRO 40 2HG PRO 40 -21.835 1.234 11.485
274 HD2 PRO 40 1HD PRO 40 -20.195 0.653 13.559
275 HD3 PRO 40 2HD PRO 40 -19.589 1.249 12.001
276 H SER 41 H SER 41 -20.543 2.837 15.573
277 HA SER 41 HA SER 41 -22.362 4.787 16.798
278 HB2 SER 41 1HB SER 41 -23.362 2.401 16.216
279 HB3 SER 41 2HB SER 41 -22.534 1.945 17.705
280 HG SER 41 HG SER 41 -24.848 3.261 17.407
281 H GLY 42 H GLY 42 -21.620 5.598 18.661
282 HA2 GLY 42 1HA GLY 42 -20.299 4.294 20.698
283 HA3 GLY 42 2HA GLY 42 -19.034 4.848 19.610
284 HA PRO 43 HA PRO 43 -20.191 8.209 22.679
285 HB2 PRO 43 1HB PRO 43 -17.725 8.451 23.790
286 HB3 PRO 43 2HB PRO 43 -18.945 7.324 24.395
287 HG2 PRO 43 1HG PRO 43 -16.606 6.801 22.601
288 HG3 PRO 43 2HG PRO 43 -17.200 5.846 23.972
289 HD2 PRO 43 1HD PRO 43 -17.732 5.190 21.399
290 HD3 PRO 43 2HD PRO 43 -18.868 4.860 22.722
291 H SER 44 H SER 44 -18.458 7.777 19.926
292 HA SER 44 HA SER 44 -16.609 9.620 19.476
293 HB2 SER 44 1HB SER 44 -17.897 8.230 17.749
294 HB3 SER 44 2HB SER 44 -19.021 9.587 17.664
295 HG SER 44 HG SER 44 -17.222 9.578 16.112
296 H SER 45 H SER 45 -16.288 11.694 19.903
297 HA SER 45 HA SER 45 -18.234 13.346 21.075
298 HB2 SER 45 1HB SER 45 -15.960 13.823 21.571
299 HB3 SER 45 2HB SER 45 -15.533 13.933 19.863
300 HG SER 45 HG SER 45 -16.360 15.871 21.497
301 H GLY 46 H GLY 46 -20.056 13.494 19.778
302 HA2 GLY 46 1HA GLY 46 -20.441 15.621 18.154
303 HA3 GLY 46 2HA GLY 46 -19.845 14.399 17.040
Start of MODEL 19
1 H1 GLY 1 H GLY 1 2.389 -14.772 -11.518
2 HA2 GLY 1 1HA GLY 1 3.880 -13.540 -13.251
3 HA3 GLY 1 2HA GLY 1 2.959 -14.927 -13.813
4 H SER 2 H SER 2 0.417 -13.954 -13.956
5 HA SER 2 HA SER 2 0.316 -12.722 -16.422
6 HB2 SER 2 1HB SER 2 -1.550 -13.843 -14.909
7 HB3 SER 2 2HB SER 2 -1.888 -12.165 -14.482
8 HG SER 2 HG SER 2 -1.901 -13.323 -17.070
9 H SER 3 H SER 3 -0.176 -11.175 -13.248
10 HA SER 3 HA SER 3 -0.449 -8.557 -14.204
11 HB2 SER 3 1HB SER 3 0.198 -7.893 -11.858
12 HB3 SER 3 2HB SER 3 -1.121 -9.059 -11.955
13 HG SER 3 HG SER 3 0.426 -9.665 -10.390
14 H GLY 4 H GLY 4 0.961 -7.047 -14.862
15 HA2 GLY 4 1HA GLY 4 3.838 -7.602 -14.482
16 HA3 GLY 4 2HA GLY 4 3.196 -7.044 -16.019
17 H SER 5 H SER 5 2.785 -6.047 -12.619
18 HA SER 5 HA SER 5 3.474 -3.307 -13.461
19 HB2 SER 5 1HB SER 5 1.045 -3.727 -12.802
20 HB3 SER 5 2HB SER 5 1.638 -3.982 -11.161
21 HG SER 5 HG SER 5 1.188 -1.860 -11.218
22 H SER 6 H SER 6 3.526 -5.630 -10.786
23 HA SER 6 HA SER 6 4.791 -4.407 -8.783
24 HB2 SER 6 1HB SER 6 5.630 -7.079 -9.934
25 HB3 SER 6 2HB SER 6 6.022 -6.505 -8.313
26 HG SER 6 HG SER 6 3.768 -7.680 -9.200
27 H GLY 7 H GLY 7 6.562 -5.729 -11.586
28 HA2 GLY 7 1HA GLY 7 8.745 -5.355 -12.263
29 HA3 GLY 7 2HA GLY 7 8.218 -3.681 -12.173
30 H THR 8 H THR 8 9.110 -2.364 -10.687
31 HA THR 8 HA THR 8 11.467 -3.148 -9.362
32 HB THR 8 HB THR 8 10.992 -0.815 -10.061
33 HG1 THR 8 HG1 THR 8 11.399 -0.848 -7.258
34 HG21 THR 8 3HG2 THR 8 9.642 0.282 -7.922
35 HG22 THR 8 1HG2 THR 8 8.738 -1.195 -8.251
36 HG23 THR 8 2HG2 THR 8 8.973 -0.002 -9.529
37 H GLY 9 H GLY 9 11.927 -3.344 -7.135
38 HA2 GLY 9 1HA GLY 9 9.611 -3.689 -5.355
39 HA3 GLY 9 2HA GLY 9 10.753 -5.013 -5.535
40 H GLU 10 H GLU 10 11.524 -1.569 -5.428
41 HA GLU 10 HA GLU 10 13.324 -2.090 -3.197
42 HB2 GLU 10 1HB GLU 10 13.973 -0.765 -5.279
43 HB3 GLU 10 2HB GLU 10 12.959 0.526 -4.649
44 HG2 GLU 10 1HG GLU 10 14.983 1.174 -3.842
45 HG3 GLU 10 2HG GLU 10 14.418 0.187 -2.495
46 H ASN 11 H ASN 11 10.812 -2.363 -2.304
47 HA ASN 11 HA ASN 11 10.395 0.082 -0.719
48 HB2 ASN 11 1HB ASN 11 8.192 -1.746 -1.698
49 HB3 ASN 11 2HB ASN 11 7.997 -0.243 -0.801
50 HD21 ASN 11 1HD2 ASN 11 7.635 1.527 -1.929
51 HD22 ASN 11 2HD2 ASN 11 7.928 1.728 -3.620
52 HA PRO 12 HA PRO 12 11.203 -3.259 2.269
53 HB2 PRO 12 1HB PRO 12 12.125 -1.585 4.197
54 HB3 PRO 12 2HB PRO 12 13.136 -2.173 2.872
55 HG2 PRO 12 1HG PRO 12 11.726 0.452 3.159
56 HG3 PRO 12 2HG PRO 12 13.366 0.122 2.571
57 HD2 PRO 12 1HD PRO 12 11.289 0.604 0.902
58 HD3 PRO 12 2HD PRO 12 12.627 -0.481 0.473
59 H TYR 13 H TYR 13 9.003 -0.731 2.093
60 HA TYR 13 HA TYR 13 7.667 -1.630 4.561
61 HB2 TYR 13 1HB TYR 13 7.456 1.131 3.352
62 HB3 TYR 13 2HB TYR 13 6.789 0.591 4.888
63 HD1 TYR 13 HD1 TYR 13 8.310 0.115 6.794
64 HD2 TYR 13 HD2 TYR 13 9.731 1.821 3.164
65 HE1 TYR 13 HE1 TYR 13 10.365 0.829 7.941
66 HE2 TYR 13 HE2 TYR 13 11.791 2.538 4.301
67 HH TYR 13 HH TYR 13 12.147 2.380 7.731
68 H GLU 14 H GLU 14 6.072 -2.936 3.929
69 HA GLU 14 HA GLU 14 4.345 -2.036 1.716
70 HB2 GLU 14 1HB GLU 14 5.465 -4.710 2.371
71 HB3 GLU 14 2HB GLU 14 3.821 -4.660 1.749
72 HG2 GLU 14 1HG GLU 14 4.469 -3.939 -0.313
73 HG3 GLU 14 2HG GLU 14 5.909 -3.128 0.300
74 H CYS 15 H CYS 15 2.139 -2.163 1.981
75 HA CYS 15 HA CYS 15 1.174 -2.052 4.661
76 HB2 CYS 15 1HB CYS 15 0.216 -0.699 2.823
77 HB3 CYS 15 2HB CYS 15 -0.386 -2.173 2.072
78 H HIS 16 H HIS 16 0.494 -3.655 5.912
79 HA HIS 16 HA HIS 16 0.276 -6.333 4.825
80 HB2 HIS 16 1HB HIS 16 0.017 -7.009 7.199
81 HB3 HIS 16 2HB HIS 16 1.473 -6.060 6.916
82 HD1 HIS 16 HD1 HIS 16 1.859 -4.433 8.721
83 HD2 HIS 16 HD2 HIS 16 -2.196 -5.060 8.069
84 HE1 HIS 16 HE1 HIS 16 0.676 -2.968 10.388
85 H GLU 17 H GLU 17 -1.746 -4.252 4.192
86 HA GLU 17 HA GLU 17 -4.118 -5.670 5.217
87 HB2 GLU 17 1HB GLU 17 -3.946 -2.750 4.452
88 HB3 GLU 17 2HB GLU 17 -5.368 -3.581 5.067
89 HG2 GLU 17 1HG GLU 17 -3.965 -4.086 7.135
90 HG3 GLU 17 2HG GLU 17 -2.843 -2.875 6.518
91 H CYS 18 H CYS 18 -2.870 -3.722 2.517
92 HA CYS 18 HA CYS 18 -4.730 -5.146 0.731
93 HB2 CYS 18 1HB CYS 18 -4.528 -3.254 -0.797
94 HB3 CYS 18 2HB CYS 18 -5.040 -2.700 0.794
95 H GLY 19 H GLY 19 -1.415 -3.885 0.967
96 HA2 GLY 19 1HA GLY 19 0.312 -5.599 0.362
97 HA3 GLY 19 2HA GLY 19 -0.633 -5.849 -1.098
98 H LYS 20 H LYS 20 -0.307 -2.643 0.159
99 HA LYS 20 HA LYS 20 0.947 -1.750 -2.256
100 HB2 LYS 20 1HB LYS 20 -0.723 -0.534 -0.589
101 HB3 LYS 20 2HB LYS 20 0.779 0.001 0.153
102 HG2 LYS 20 1HG LYS 20 1.330 1.341 -1.592
103 HG3 LYS 20 2HG LYS 20 0.532 0.310 -2.782
104 HD2 LYS 20 1HD LYS 20 -1.624 1.116 -1.441
105 HD3 LYS 20 2HD LYS 20 -0.574 2.495 -1.104
106 HE2 LYS 20 1HE LYS 20 -1.863 2.954 -3.083
107 HE3 LYS 20 2HE LYS 20 -0.174 2.727 -3.537
108 HZ1 LYS 20 3HZ LYS 20 -1.141 1.409 -5.081
109 HZ2 LYS 20 1HZ LYS 20 -2.497 1.066 -4.130
110 HZ3 LYS 20 2HZ LYS 20 -1.038 0.261 -3.843
111 H ALA 21 H ALA 21 2.835 -0.102 -1.978
112 HA ALA 21 HA ALA 21 4.811 -1.047 -0.038
113 HB1 ALA 21 3HB ALA 21 6.335 -0.761 -2.315
114 HB2 ALA 21 1HB ALA 21 5.831 -2.286 -1.586
115 HB3 ALA 21 2HB ALA 21 4.885 -1.578 -2.896
116 H PHE 22 H PHE 22 6.402 0.453 0.486
117 HA PHE 22 HA PHE 22 6.338 3.051 -0.850
118 HB2 PHE 22 1HB PHE 22 6.112 2.826 2.154
119 HB3 PHE 22 2HB PHE 22 6.030 4.291 1.182
120 HD1 PHE 22 HD2 PHE 22 4.283 1.059 1.750
121 HD2 PHE 22 HD1 PHE 22 3.977 5.117 0.504
122 HE1 PHE 22 HE2 PHE 22 1.837 0.833 1.626
123 HE2 PHE 22 HE1 PHE 22 1.530 4.898 0.380
124 HZ PHE 22 HZ PHE 22 0.456 2.753 0.940
125 H SER 23 H SER 23 8.204 4.334 -0.497
126 HA SER 23 HA SER 23 10.598 2.833 -0.232
127 HB2 SER 23 1HB SER 23 10.064 5.087 -1.524
128 HB3 SER 23 2HB SER 23 10.634 5.814 -0.022
129 HG SER 23 HG SER 23 12.238 5.329 -1.753
130 H ARG 24 H ARG 24 9.086 5.319 1.813
131 HA ARG 24 HA ARG 24 10.913 4.556 3.986
132 HB2 ARG 24 1HB ARG 24 9.140 6.974 4.065
133 HB3 ARG 24 2HB ARG 24 10.664 6.691 4.895
134 HG2 ARG 24 1HG ARG 24 11.570 6.624 2.402
135 HG3 ARG 24 2HG ARG 24 10.149 7.636 2.138
136 HD2 ARG 24 1HD ARG 24 11.933 9.116 2.597
137 HD3 ARG 24 2HD ARG 24 10.957 9.055 4.064
138 HE ARG 24 HE ARG 24 12.776 8.234 5.158
139 HH11 ARG 24 1HH1 ARG 24 13.164 7.611 1.755
140 HH12 ARG 24 2HH1 ARG 24 14.758 6.953 1.924
141 HH21 ARG 24 1HH2 ARG 24 14.874 7.370 5.393
142 HH22 ARG 24 2HH2 ARG 24 15.729 6.816 3.994
143 H LYS 25 H LYS 25 9.931 4.696 6.213
144 HA LYS 25 HA LYS 25 7.772 2.887 6.406
145 HB2 LYS 25 1HB LYS 25 9.470 3.023 8.141
146 HB3 LYS 25 2HB LYS 25 9.016 4.684 8.495
147 HG2 LYS 25 1HG LYS 25 7.981 3.510 10.185
148 HG3 LYS 25 2HG LYS 25 6.684 3.686 9.001
149 HD2 LYS 25 1HD LYS 25 8.419 1.279 8.820
150 HD3 LYS 25 2HD LYS 25 7.244 1.354 10.136
151 HE2 LYS 25 1HE LYS 25 5.568 2.001 8.271
152 HE3 LYS 25 2HE LYS 25 6.777 1.332 7.177
153 HZ1 LYS 25 3HZ LYS 25 6.152 -0.716 7.701
154 HZ2 LYS 25 1HZ LYS 25 4.849 -0.061 8.557
155 HZ3 LYS 25 2HZ LYS 25 6.293 -0.420 9.360
156 H TYR 26 H TYR 26 7.977 6.361 7.174
157 HA TYR 26 HA TYR 26 5.348 6.766 7.943
158 HB2 TYR 26 1HB TYR 26 5.821 9.007 7.872
159 HB3 TYR 26 2HB TYR 26 7.462 8.374 7.811
160 HD1 TYR 26 HD1 TYR 26 8.706 8.360 5.679
161 HD2 TYR 26 HD2 TYR 26 4.859 10.150 5.999
162 HE1 TYR 26 HE1 TYR 26 9.095 9.559 3.567
163 HE2 TYR 26 HE2 TYR 26 5.237 11.353 3.888
164 HH TYR 26 HH TYR 26 6.733 10.948 1.780
165 H GLN 27 H GLN 27 6.759 6.790 4.701
166 HA GLN 27 HA GLN 27 4.616 7.723 3.231
167 HB2 GLN 27 1HB GLN 27 6.680 5.633 2.541
168 HB3 GLN 27 2HB GLN 27 5.530 6.270 1.372
169 HG2 GLN 27 1HG GLN 27 6.444 8.571 2.002
170 HG3 GLN 27 2HG GLN 27 7.770 7.692 2.761
171 HE21 GLN 27 1HE2 GLN 27 8.998 8.957 1.150
172 HE22 GLN 27 2HE2 GLN 27 9.203 8.282 -0.427
173 H LEU 28 H LEU 28 5.007 4.677 4.832
174 HA LEU 28 HA LEU 28 2.800 3.432 3.418
175 HB2 LEU 28 1HB LEU 28 4.398 1.857 3.932
176 HB3 LEU 28 2HB LEU 28 4.753 2.578 5.501
177 HG LEU 28 HG LEU 28 2.774 1.618 6.458
178 HD11 LEU 28 1HD1 LEU 28 1.013 1.484 5.081
179 HD12 LEU 28 2HD1 LEU 28 1.657 -0.106 4.675
180 HD13 LEU 28 3HD1 LEU 28 2.021 1.281 3.648
181 HD21 LEU 28 3HD2 LEU 28 4.882 0.080 5.303
182 HD22 LEU 28 1HD2 LEU 28 3.391 -0.861 5.257
183 HD23 LEU 28 2HD2 LEU 28 3.978 -0.215 6.790
184 H ILE 29 H ILE 29 3.499 4.667 6.665
185 HA ILE 29 HA ILE 29 1.153 3.965 7.954
186 HB ILE 29 HB ILE 29 3.023 6.281 8.298
187 HG12 ILE 29 1HG1 ILE 29 3.235 5.114 10.572
188 HG13 ILE 29 2HG1 ILE 29 2.310 3.799 9.855
189 HG21 ILE 29 1HG2 ILE 29 0.318 5.952 9.487
190 HG22 ILE 29 2HG2 ILE 29 1.614 6.572 10.509
191 HG23 ILE 29 3HG2 ILE 29 1.180 7.420 9.025
192 HD11 ILE 29 3HD1 ILE 29 4.798 4.816 8.548
193 HD12 ILE 29 1HD1 ILE 29 4.868 3.648 9.867
194 HD13 ILE 29 2HD1 ILE 29 4.010 3.248 8.379
195 H SER 30 H SER 30 1.835 6.949 6.136
196 HA SER 30 HA SER 30 -0.573 8.250 6.479
197 HB2 SER 30 1HB SER 30 1.410 9.220 5.342
198 HB3 SER 30 2HB SER 30 1.076 8.205 3.939
199 HG SER 30 HG SER 30 0.017 9.989 3.414
200 H HIS 31 H HIS 31 0.207 5.572 4.366
201 HA HIS 31 HA HIS 31 -2.207 5.697 2.839
202 HB2 HIS 31 1HB HIS 31 -0.348 4.623 1.811
203 HB3 HIS 31 2HB HIS 31 -0.102 3.564 3.197
204 HD1 HIS 31 HD1 HIS 31 -2.371 4.057 0.237
205 HD2 HIS 31 HD2 HIS 31 -1.606 1.242 3.196
206 HE1 HIS 31 HE1 HIS 31 -3.650 2.001 -0.444
207 H GLN 32 H GLN 32 -1.072 3.558 5.452
208 HA GLN 32 HA GLN 32 -3.214 1.896 5.738
209 HB2 GLN 32 1HB GLN 32 -1.692 3.173 8.016
210 HB3 GLN 32 2HB GLN 32 -2.618 1.680 8.097
211 HG2 GLN 32 1HG GLN 32 -1.035 0.848 6.251
212 HG3 GLN 32 2HG GLN 32 -0.016 2.207 6.721
213 HE21 GLN 32 1HE2 GLN 32 -0.423 -0.973 7.142
214 HE22 GLN 32 2HE2 GLN 32 0.239 -1.168 8.725
215 H ARG 33 H ARG 33 -3.048 5.278 6.517
216 HA ARG 33 HA ARG 33 -5.067 5.650 8.322
217 HB2 ARG 33 1HB ARG 33 -4.585 7.354 5.872
218 HB3 ARG 33 2HB ARG 33 -5.402 7.860 7.344
219 HG2 ARG 33 1HG ARG 33 -2.554 6.913 7.336
220 HG3 ARG 33 2HG ARG 33 -2.998 8.597 7.051
221 HD2 ARG 33 1HD ARG 33 -4.279 8.481 9.234
222 HD3 ARG 33 2HD ARG 33 -3.470 6.940 9.517
223 HE ARG 33 HE ARG 33 -1.411 8.600 9.012
224 HH11 ARG 33 1HH1 ARG 33 -4.144 8.817 11.158
225 HH12 ARG 33 2HH1 ARG 33 -3.308 9.773 12.336
226 HH21 ARG 33 1HH2 ARG 33 -0.300 9.858 10.556
227 HH22 ARG 33 2HH2 ARG 33 -1.121 10.365 11.992
228 H THR 34 H THR 34 -5.356 4.943 4.891
229 HA THR 34 HA THR 34 -8.112 5.438 4.612
230 HB THR 34 HB THR 34 -8.018 4.240 2.560
231 HG1 THR 34 HG1 THR 34 -6.231 2.837 2.103
232 HG21 THR 34 3HG2 THR 34 -5.488 4.938 1.861
233 HG22 THR 34 1HG2 THR 34 -5.721 5.922 3.305
234 HG23 THR 34 2HG2 THR 34 -6.840 6.066 1.950
235 H HIS 35 H HIS 35 -6.318 2.546 5.564
236 HA HIS 35 HA HIS 35 -8.587 0.830 5.647
237 HB2 HIS 35 1HB HIS 35 -5.818 0.638 6.827
238 HB3 HIS 35 2HB HIS 35 -7.031 -0.617 7.064
239 HD1 HIS 35 HD1 HIS 35 -8.010 -1.621 4.694
240 HD2 HIS 35 HD2 HIS 35 -4.328 0.300 4.593
241 HE1 HIS 35 HE1 HIS 35 -6.913 -2.382 2.563
242 H ALA 36 H ALA 36 -6.904 2.799 8.045
243 HA ALA 36 HA ALA 36 -7.897 1.987 10.417
244 HB1 ALA 36 3HB ALA 36 -6.861 4.421 9.390
245 HB2 ALA 36 1HB ALA 36 -8.249 4.801 10.410
246 HB3 ALA 36 2HB ALA 36 -6.906 3.862 11.062
247 H GLY 37 H GLY 37 -9.663 3.927 8.028
248 HA2 GLY 37 1HA GLY 37 -11.907 4.332 7.768
249 HA3 GLY 37 2HA GLY 37 -12.168 2.840 8.657
250 H GLU 38 H GLU 38 -13.803 5.164 8.810
251 HA GLU 38 HA GLU 38 -13.315 5.972 11.602
252 HB2 GLU 38 1HB GLU 38 -14.689 7.545 9.416
253 HB3 GLU 38 2HB GLU 38 -14.542 8.056 11.092
254 HG2 GLU 38 1HG GLU 38 -12.162 8.221 10.899
255 HG3 GLU 38 2HG GLU 38 -12.200 7.515 9.284
256 H LYS 39 H LYS 39 -14.649 3.613 11.025
257 HA LYS 39 HA LYS 39 -17.403 4.293 11.816
258 HB2 LYS 39 1HB LYS 39 -17.059 3.326 9.441
259 HB3 LYS 39 2HB LYS 39 -16.737 1.806 10.264
260 HG2 LYS 39 1HG LYS 39 -19.213 3.273 10.984
261 HG3 LYS 39 2HG LYS 39 -19.151 2.459 9.419
262 HD2 LYS 39 1HD LYS 39 -18.246 0.947 11.812
263 HD3 LYS 39 2HD LYS 39 -19.978 1.223 11.616
264 HE2 LYS 39 1HE LYS 39 -18.205 0.039 9.486
265 HE3 LYS 39 2HE LYS 39 -19.138 -0.920 10.633
266 HZ1 LYS 39 3HZ LYS 39 -19.999 0.107 8.214
267 HZ2 LYS 39 1HZ LYS 39 -20.796 1.009 9.402
268 HZ3 LYS 39 2HZ LYS 39 -20.934 -0.676 9.386
269 HA PRO 40 HA PRO 40 -16.247 1.908 15.388
270 HB2 PRO 40 1HB PRO 40 -18.665 2.036 16.616
271 HB3 PRO 40 2HB PRO 40 -17.526 3.388 16.594
272 HG2 PRO 40 1HG PRO 40 -19.932 2.909 14.878
273 HG3 PRO 40 2HG PRO 40 -19.388 4.410 15.648
274 HD2 PRO 40 1HD PRO 40 -18.957 3.879 13.029
275 HD3 PRO 40 2HD PRO 40 -17.827 4.836 14.008
276 H SER 41 H SER 41 -16.655 -0.150 16.240
277 HA SER 41 HA SER 41 -17.307 -2.332 16.242
278 HB2 SER 41 1HB SER 41 -19.740 -1.353 14.729
279 HB3 SER 41 2HB SER 41 -19.581 -2.895 15.571
280 HG SER 41 HG SER 41 -19.862 -0.309 16.618
281 H GLY 42 H GLY 42 -15.447 -1.709 14.402
282 HA2 GLY 42 1HA GLY 42 -16.324 -3.087 11.942
283 HA3 GLY 42 2HA GLY 42 -15.005 -1.927 12.013
284 HA PRO 43 HA PRO 43 -13.555 -6.144 13.973
285 HB2 PRO 43 1HB PRO 43 -14.914 -8.306 13.052
286 HB3 PRO 43 2HB PRO 43 -15.371 -7.440 14.524
287 HG2 PRO 43 1HG PRO 43 -16.522 -7.230 11.768
288 HG3 PRO 43 2HG PRO 43 -17.360 -7.287 13.330
289 HD2 PRO 43 1HD PRO 43 -16.942 -4.975 11.983
290 HD3 PRO 43 2HD PRO 43 -16.981 -5.054 13.757
291 H SER 44 H SER 44 -15.008 -6.390 10.727
292 HA SER 44 HA SER 44 -12.661 -7.746 9.702
293 HB2 SER 44 1HB SER 44 -15.345 -7.013 8.584
294 HB3 SER 44 2HB SER 44 -14.032 -7.438 7.487
295 HG SER 44 HG SER 44 -15.411 -9.021 9.321
296 H SER 45 H SER 45 -10.985 -6.288 9.773
297 HA SER 45 HA SER 45 -11.034 -3.601 9.112
298 HB2 SER 45 1HB SER 45 -8.615 -3.783 8.772
299 HB3 SER 45 2HB SER 45 -9.111 -4.722 10.180
300 HG SER 45 HG SER 45 -8.182 -6.337 9.229
301 H GLY 46 H GLY 46 -10.407 -6.388 6.998
302 HA2 GLY 46 1HA GLY 46 -10.922 -6.588 4.736
303 HA3 GLY 46 2HA GLY 46 -11.412 -4.900 4.726
Start of MODEL 20
1 H1 GLY 1 H GLY 1 2.794 -25.487 -14.944
2 HA2 GLY 1 1HA GLY 1 2.593 -23.307 -14.252
3 HA3 GLY 1 2HA GLY 1 1.013 -23.778 -13.644
4 H SER 2 H SER 2 4.460 -24.081 -12.791
5 HA SER 2 HA SER 2 3.703 -23.511 -10.002
6 HB2 SER 2 1HB SER 2 5.626 -24.980 -9.324
7 HB3 SER 2 2HB SER 2 4.299 -25.843 -10.101
8 HG SER 2 HG SER 2 5.810 -25.206 -12.070
9 H SER 3 H SER 3 4.161 -21.290 -10.457
10 HA SER 3 HA SER 3 7.018 -20.695 -10.257
11 HB2 SER 3 1HB SER 3 6.943 -18.984 -11.949
12 HB3 SER 3 2HB SER 3 6.315 -20.469 -12.661
13 HG SER 3 HG SER 3 5.129 -18.132 -12.554
14 H GLY 4 H GLY 4 7.434 -18.468 -9.513
15 HA2 GLY 4 1HA GLY 4 5.182 -17.454 -7.888
16 HA3 GLY 4 2HA GLY 4 6.837 -17.507 -7.298
17 H SER 5 H SER 5 5.928 -15.155 -6.979
18 HA SER 5 HA SER 5 6.719 -13.577 -9.340
19 HB2 SER 5 1HB SER 5 5.256 -11.793 -8.526
20 HB3 SER 5 2HB SER 5 4.341 -13.287 -8.723
21 HG SER 5 HG SER 5 3.794 -12.458 -6.750
22 H SER 6 H SER 6 8.286 -12.072 -9.123
23 HA SER 6 HA SER 6 9.614 -11.922 -6.510
24 HB2 SER 6 1HB SER 6 11.043 -12.691 -8.322
25 HB3 SER 6 2HB SER 6 10.634 -11.272 -9.286
26 HG SER 6 HG SER 6 12.302 -10.411 -8.350
27 H GLY 7 H GLY 7 9.943 -10.017 -5.461
28 HA2 GLY 7 1HA GLY 7 8.199 -7.897 -5.798
29 HA3 GLY 7 2HA GLY 7 9.720 -7.795 -4.923
30 H THR 8 H THR 8 8.594 -5.670 -6.387
31 HA THR 8 HA THR 8 10.627 -5.360 -8.495
32 HB THR 8 HB THR 8 8.477 -5.639 -9.594
33 HG1 THR 8 HG1 THR 8 8.390 -3.279 -10.410
34 HG21 THR 8 3HG2 THR 8 7.482 -3.179 -8.180
35 HG22 THR 8 1HG2 THR 8 7.174 -4.799 -7.560
36 HG23 THR 8 2HG2 THR 8 6.569 -4.334 -9.150
37 H GLY 9 H GLY 9 12.041 -3.875 -7.851
38 HA2 GLY 9 1HA GLY 9 12.623 -1.612 -7.449
39 HA3 GLY 9 2HA GLY 9 11.024 -1.348 -6.769
40 H GLU 10 H GLU 10 12.272 -0.266 -5.058
41 HA GLU 10 HA GLU 10 13.208 -2.221 -3.062
42 HB2 GLU 10 1HB GLU 10 14.281 0.568 -3.525
43 HB3 GLU 10 2HB GLU 10 14.785 -0.516 -2.236
44 HG2 GLU 10 1HG GLU 10 14.999 -1.401 -5.074
45 HG3 GLU 10 2HG GLU 10 16.203 -0.303 -4.403
46 H ASN 11 H ASN 11 11.126 -2.290 -2.137
47 HA ASN 11 HA ASN 11 10.420 0.136 -0.623
48 HB2 ASN 11 1HB ASN 11 8.548 -1.862 -1.911
49 HB3 ASN 11 2HB ASN 11 8.034 -0.602 -0.793
50 HD21 ASN 11 1HD2 ASN 11 9.201 1.606 -1.498
51 HD22 ASN 11 2HD2 ASN 11 8.887 2.031 -3.143
52 HA PRO 12 HA PRO 12 11.281 -3.146 2.449
53 HB2 PRO 12 1HB PRO 12 12.150 -1.417 4.353
54 HB3 PRO 12 2HB PRO 12 13.192 -2.029 3.063
55 HG2 PRO 12 1HG PRO 12 11.756 0.591 3.256
56 HG3 PRO 12 2HG PRO 12 13.410 0.259 2.710
57 HD2 PRO 12 1HD PRO 12 11.365 0.682 0.987
58 HD3 PRO 12 2HD PRO 12 12.720 -0.402 0.613
59 H TYR 13 H TYR 13 9.068 -0.639 2.166
60 HA TYR 13 HA TYR 13 7.694 -1.478 4.635
61 HB2 TYR 13 1HB TYR 13 7.451 1.232 3.323
62 HB3 TYR 13 2HB TYR 13 6.785 0.737 4.875
63 HD1 TYR 13 HD1 TYR 13 8.291 0.384 6.809
64 HD2 TYR 13 HD2 TYR 13 9.725 1.936 3.117
65 HE1 TYR 13 HE1 TYR 13 10.325 1.178 7.941
66 HE2 TYR 13 HE2 TYR 13 11.764 2.734 4.237
67 HH TYR 13 HH TYR 13 13.079 2.114 6.326
68 H GLU 14 H GLU 14 6.176 -2.872 3.974
69 HA GLU 14 HA GLU 14 4.470 -2.074 1.706
70 HB2 GLU 14 1HB GLU 14 5.603 -4.700 2.512
71 HB3 GLU 14 2HB GLU 14 3.973 -4.700 1.853
72 HG2 GLU 14 1HG GLU 14 4.660 -4.089 -0.227
73 HG3 GLU 14 2HG GLU 14 6.061 -3.204 0.373
74 H CYS 15 H CYS 15 2.247 -2.297 1.900
75 HA CYS 15 HA CYS 15 1.243 -2.155 4.600
76 HB2 CYS 15 1HB CYS 15 0.448 -0.702 2.685
77 HB3 CYS 15 2HB CYS 15 -0.363 -2.127 2.043
78 H HIS 16 H HIS 16 0.857 -3.947 5.714
79 HA HIS 16 HA HIS 16 0.434 -6.488 4.493
80 HB2 HIS 16 1HB HIS 16 0.085 -7.293 6.797
81 HB3 HIS 16 2HB HIS 16 1.537 -6.306 6.663
82 HD1 HIS 16 HD1 HIS 16 1.726 -5.181 8.865
83 HD2 HIS 16 HD2 HIS 16 -2.151 -5.050 7.378
84 HE1 HIS 16 HE1 HIS 16 0.435 -3.748 10.479
85 H GLU 17 H GLU 17 -1.590 -3.902 4.861
86 HA GLU 17 HA GLU 17 -4.005 -5.343 5.510
87 HB2 GLU 17 1HB GLU 17 -3.704 -2.534 4.436
88 HB3 GLU 17 2HB GLU 17 -5.137 -3.221 5.188
89 HG2 GLU 17 1HG GLU 17 -3.526 -3.602 7.211
90 HG3 GLU 17 2HG GLU 17 -2.584 -2.332 6.432
91 H CYS 18 H CYS 18 -2.677 -3.740 2.626
92 HA CYS 18 HA CYS 18 -4.564 -5.310 0.995
93 HB2 CYS 18 1HB CYS 18 -4.415 -3.529 -0.693
94 HB3 CYS 18 2HB CYS 18 -5.001 -2.906 0.846
95 H GLY 19 H GLY 19 -1.288 -3.953 1.124
96 HA2 GLY 19 1HA GLY 19 0.471 -5.666 0.597
97 HA3 GLY 19 2HA GLY 19 -0.470 -5.995 -0.850
98 H LYS 20 H LYS 20 -0.238 -2.728 0.235
99 HA LYS 20 HA LYS 20 0.999 -1.915 -2.207
100 HB2 LYS 20 1HB LYS 20 -0.692 -0.595 -0.833
101 HB3 LYS 20 2HB LYS 20 0.634 -0.217 0.258
102 HG2 LYS 20 1HG LYS 20 1.702 1.122 -1.285
103 HG3 LYS 20 2HG LYS 20 0.910 0.348 -2.659
104 HD2 LYS 20 1HD LYS 20 -0.718 1.861 -0.659
105 HD3 LYS 20 2HD LYS 20 0.174 2.734 -1.906
106 HE2 LYS 20 1HE LYS 20 -1.749 0.486 -2.478
107 HE3 LYS 20 2HE LYS 20 -2.203 2.189 -2.487
108 HZ1 LYS 20 3HZ LYS 20 -1.697 1.927 -4.666
109 HZ2 LYS 20 1HZ LYS 20 -0.575 0.690 -4.392
110 HZ3 LYS 20 2HZ LYS 20 -0.144 2.301 -4.110
111 H ALA 21 H ALA 21 2.876 -0.257 -2.043
112 HA ALA 21 HA ALA 21 4.892 -1.124 -0.101
113 HB1 ALA 21 3HB ALA 21 6.479 -0.925 -2.242
114 HB2 ALA 21 1HB ALA 21 5.727 -2.440 -1.743
115 HB3 ALA 21 2HB ALA 21 5.004 -1.480 -3.034
116 H PHE 22 H PHE 22 6.390 0.428 0.459
117 HA PHE 22 HA PHE 22 6.275 3.012 -0.911
118 HB2 PHE 22 1HB PHE 22 6.090 2.769 2.095
119 HB3 PHE 22 2HB PHE 22 5.996 4.245 1.139
120 HD1 PHE 22 HD2 PHE 22 4.268 0.991 1.651
121 HD2 PHE 22 HD1 PHE 22 3.934 5.080 0.516
122 HE1 PHE 22 HE2 PHE 22 1.821 0.757 1.541
123 HE2 PHE 22 HE1 PHE 22 1.487 4.852 0.405
124 HZ PHE 22 HZ PHE 22 0.427 2.689 0.916
125 H SER 23 H SER 23 8.083 4.420 -0.399
126 HA SER 23 HA SER 23 10.534 2.953 -0.243
127 HB2 SER 23 1HB SER 23 9.925 5.196 -1.520
128 HB3 SER 23 2HB SER 23 10.488 5.933 -0.020
129 HG SER 23 HG SER 23 11.924 4.209 -1.752
130 H ARG 24 H ARG 24 9.026 5.442 1.809
131 HA ARG 24 HA ARG 24 10.876 4.701 3.968
132 HB2 ARG 24 1HB ARG 24 9.045 7.078 4.053
133 HB3 ARG 24 2HB ARG 24 10.571 6.828 4.890
134 HG2 ARG 24 1HG ARG 24 11.536 6.802 2.448
135 HG3 ARG 24 2HG ARG 24 10.059 7.701 2.096
136 HD2 ARG 24 1HD ARG 24 10.703 9.512 3.330
137 HD3 ARG 24 2HD ARG 24 11.674 8.546 4.439
138 HE ARG 24 HE ARG 24 12.699 8.731 1.741
139 HH11 ARG 24 1HH1 ARG 24 12.716 10.052 4.962
140 HH12 ARG 24 2HH1 ARG 24 14.256 10.823 4.778
141 HH21 ARG 24 1HH2 ARG 24 14.728 9.742 1.487
142 HH22 ARG 24 2HH2 ARG 24 15.400 10.647 2.801
143 H LYS 25 H LYS 25 9.899 4.855 6.211
144 HA LYS 25 HA LYS 25 7.807 2.972 6.438
145 HB2 LYS 25 1HB LYS 25 9.501 3.189 8.166
146 HB3 LYS 25 2HB LYS 25 8.998 4.842 8.493
147 HG2 LYS 25 1HG LYS 25 7.967 3.724 10.200
148 HG3 LYS 25 2HG LYS 25 6.686 3.729 8.987
149 HD2 LYS 25 1HD LYS 25 7.119 1.479 8.387
150 HD3 LYS 25 2HD LYS 25 8.644 1.461 9.276
151 HE2 LYS 25 1HE LYS 25 5.931 1.802 10.549
152 HE3 LYS 25 2HE LYS 25 6.779 0.262 10.417
153 HZ1 LYS 25 3HZ LYS 25 7.925 0.755 12.229
154 HZ2 LYS 25 1HZ LYS 25 7.055 2.196 12.396
155 HZ3 LYS 25 2HZ LYS 25 8.508 2.181 11.531
156 H TYR 26 H TYR 26 7.891 6.464 7.138
157 HA TYR 26 HA TYR 26 5.238 6.772 7.903
158 HB2 TYR 26 1HB TYR 26 5.648 9.020 7.866
159 HB3 TYR 26 2HB TYR 26 7.311 8.452 7.768
160 HD1 TYR 26 HD1 TYR 26 8.405 8.318 5.485
161 HD2 TYR 26 HD2 TYR 26 4.721 10.339 6.154
162 HE1 TYR 26 HE1 TYR 26 8.709 9.555 3.381
163 HE2 TYR 26 HE2 TYR 26 5.014 11.580 4.051
164 HH TYR 26 HH TYR 26 6.660 10.837 1.689
165 H GLN 27 H GLN 27 6.681 6.785 4.683
166 HA GLN 27 HA GLN 27 4.552 7.677 3.169
167 HB2 GLN 27 1HB GLN 27 6.656 5.606 2.555
168 HB3 GLN 27 2HB GLN 27 5.500 6.170 1.356
169 HG2 GLN 27 1HG GLN 27 6.347 8.517 1.913
170 HG3 GLN 27 2HG GLN 27 7.692 7.698 2.706
171 HE21 GLN 27 1HE2 GLN 27 8.556 9.214 0.853
172 HE22 GLN 27 2HE2 GLN 27 8.917 8.387 -0.620
173 H LEU 28 H LEU 28 4.975 4.628 4.781
174 HA LEU 28 HA LEU 28 2.762 3.377 3.384
175 HB2 LEU 28 1HB LEU 28 4.382 1.814 3.876
176 HB3 LEU 28 2HB LEU 28 4.735 2.524 5.450
177 HG LEU 28 HG LEU 28 2.752 1.546 6.396
178 HD11 LEU 28 1HD1 LEU 28 2.070 1.095 3.561
179 HD12 LEU 28 2HD1 LEU 28 1.031 1.461 4.938
180 HD13 LEU 28 3HD1 LEU 28 1.619 -0.183 4.689
181 HD21 LEU 28 3HD2 LEU 28 3.956 -0.284 6.741
182 HD22 LEU 28 1HD2 LEU 28 4.907 0.055 5.294
183 HD23 LEU 28 2HD2 LEU 28 3.440 -0.919 5.178
184 H ILE 29 H ILE 29 3.493 4.514 6.667
185 HA ILE 29 HA ILE 29 1.158 3.818 7.954
186 HB ILE 29 HB ILE 29 3.011 6.148 8.314
187 HG12 ILE 29 1HG1 ILE 29 3.287 4.934 10.555
188 HG13 ILE 29 2HG1 ILE 29 2.370 3.620 9.826
189 HG21 ILE 29 1HG2 ILE 29 1.254 7.275 9.176
190 HG22 ILE 29 2HG2 ILE 29 0.307 5.812 9.441
191 HG23 ILE 29 3HG2 ILE 29 1.576 6.260 10.581
192 HD11 ILE 29 3HD1 ILE 29 4.851 3.363 9.755
193 HD12 ILE 29 1HD1 ILE 29 4.047 3.254 8.190
194 HD13 ILE 29 2HD1 ILE 29 4.898 4.731 8.644
195 H SER 30 H SER 30 1.817 6.829 6.172
196 HA SER 30 HA SER 30 -0.589 8.121 6.556
197 HB2 SER 30 1HB SER 30 1.575 8.838 5.255
198 HB3 SER 30 2HB SER 30 0.710 8.207 3.854
199 HG SER 30 HG SER 30 -0.693 9.916 5.541
200 H HIS 31 H HIS 31 0.192 5.523 4.325
201 HA HIS 31 HA HIS 31 -2.247 5.649 2.857
202 HB2 HIS 31 1HB HIS 31 -0.402 4.602 1.783
203 HB3 HIS 31 2HB HIS 31 -0.127 3.523 3.147
204 HD1 HIS 31 HD1 HIS 31 -2.606 4.102 0.349
205 HD2 HIS 31 HD2 HIS 31 -1.452 1.132 3.015
206 HE1 HIS 31 HE1 HIS 31 -3.839 2.034 -0.375
207 H GLN 32 H GLN 32 -1.087 3.566 5.493
208 HA GLN 32 HA GLN 32 -3.235 1.865 5.744
209 HB2 GLN 32 1HB GLN 32 -1.652 3.068 8.021
210 HB3 GLN 32 2HB GLN 32 -2.586 1.579 8.079
211 HG2 GLN 32 1HG GLN 32 -1.049 0.786 6.180
212 HG3 GLN 32 2HG GLN 32 -0.012 2.128 6.659
213 HE21 GLN 32 1HE2 GLN 32 -0.650 -1.077 7.116
214 HE22 GLN 32 2HE2 GLN 32 0.134 -1.308 8.637
215 H ARG 33 H ARG 33 -2.998 5.220 6.640
216 HA ARG 33 HA ARG 33 -5.018 5.523 8.477
217 HB2 ARG 33 1HB ARG 33 -4.487 7.392 6.162
218 HB3 ARG 33 2HB ARG 33 -5.247 7.806 7.693
219 HG2 ARG 33 1HG ARG 33 -2.410 6.843 7.405
220 HG3 ARG 33 2HG ARG 33 -2.892 8.537 7.517
221 HD2 ARG 33 1HD ARG 33 -3.834 6.647 9.614
222 HD3 ARG 33 2HD ARG 33 -2.149 7.165 9.647
223 HE ARG 33 HE ARG 33 -4.084 9.301 9.425
224 HH11 ARG 33 1HH1 ARG 33 -2.179 7.312 11.554
225 HH12 ARG 33 2HH1 ARG 33 -2.235 8.439 12.869
226 HH21 ARG 33 1HH2 ARG 33 -4.166 10.792 11.148
227 HH22 ARG 33 2HH2 ARG 33 -3.367 10.418 12.638
228 H THR 34 H THR 34 -5.283 5.112 4.991
229 HA THR 34 HA THR 34 -8.025 5.693 4.738
230 HB THR 34 HB THR 34 -7.938 4.668 2.587
231 HG1 THR 34 HG1 THR 34 -6.994 2.707 2.938
232 HG21 THR 34 3HG2 THR 34 -6.760 6.578 2.227
233 HG22 THR 34 1HG2 THR 34 -5.462 5.431 1.896
234 HG23 THR 34 2HG2 THR 34 -5.570 6.209 3.475
235 H HIS 35 H HIS 35 -6.302 2.754 5.595
236 HA HIS 35 HA HIS 35 -8.567 1.030 5.422
237 HB2 HIS 35 1HB HIS 35 -5.848 0.776 6.690
238 HB3 HIS 35 2HB HIS 35 -7.070 -0.478 6.879
239 HD1 HIS 35 HD1 HIS 35 -7.994 -1.463 4.493
240 HD2 HIS 35 HD2 HIS 35 -4.340 0.514 4.453
241 HE1 HIS 35 HE1 HIS 35 -6.868 -2.174 2.360
242 H ALA 36 H ALA 36 -6.911 2.646 8.117
243 HA ALA 36 HA ALA 36 -8.167 1.704 10.306
244 HB1 ALA 36 3HB ALA 36 -7.013 3.378 11.192
245 HB2 ALA 36 1HB ALA 36 -6.862 4.147 9.613
246 HB3 ALA 36 2HB ALA 36 -8.253 4.503 10.638
247 H GLY 37 H GLY 37 -10.052 2.221 11.513
248 HA2 GLY 37 1HA GLY 37 -12.175 3.299 11.757
249 HA3 GLY 37 2HA GLY 37 -12.194 3.577 10.022
250 H GLU 38 H GLU 38 -11.830 1.222 8.876
251 HA GLU 38 HA GLU 38 -14.296 -0.126 9.357
252 HB2 GLU 38 1HB GLU 38 -11.966 -0.851 7.572
253 HB3 GLU 38 2HB GLU 38 -13.524 -1.666 7.564
254 HG2 GLU 38 1HG GLU 38 -14.520 0.636 7.074
255 HG3 GLU 38 2HG GLU 38 -12.868 1.126 6.701
256 H LYS 39 H LYS 39 -14.423 -1.170 11.273
257 HA LYS 39 HA LYS 39 -12.575 -2.381 12.809
258 HB2 LYS 39 1HB LYS 39 -14.906 -2.295 13.461
259 HB3 LYS 39 2HB LYS 39 -15.343 -3.422 12.184
260 HG2 LYS 39 1HG LYS 39 -13.339 -4.316 14.177
261 HG3 LYS 39 2HG LYS 39 -15.021 -4.186 14.696
262 HD2 LYS 39 1HD LYS 39 -14.261 -5.638 12.181
263 HD3 LYS 39 2HD LYS 39 -14.219 -6.436 13.755
264 HE2 LYS 39 1HE LYS 39 -16.489 -6.417 13.976
265 HE3 LYS 39 2HE LYS 39 -16.677 -4.936 13.039
266 HZ1 LYS 39 3HZ LYS 39 -16.322 -7.699 12.059
267 HZ2 LYS 39 1HZ LYS 39 -15.984 -6.371 11.067
268 HZ3 LYS 39 2HZ LYS 39 -17.544 -6.592 11.682
269 HA PRO 40 HA PRO 40 -10.766 -5.491 10.194
270 HB2 PRO 40 1HB PRO 40 -9.102 -6.520 12.077
271 HB3 PRO 40 2HB PRO 40 -8.783 -4.994 11.244
272 HG2 PRO 40 1HG PRO 40 -9.953 -5.460 13.960
273 HG3 PRO 40 2HG PRO 40 -8.744 -4.266 13.452
274 HD2 PRO 40 1HD PRO 40 -11.355 -3.639 13.803
275 HD3 PRO 40 2HD PRO 40 -10.335 -2.837 12.591
276 H SER 41 H SER 41 -11.762 -6.291 13.520
277 HA SER 41 HA SER 41 -13.038 -8.012 14.320
278 HB2 SER 41 1HB SER 41 -14.265 -7.737 12.085
279 HB3 SER 41 2HB SER 41 -13.292 -9.093 11.516
280 HG SER 41 HG SER 41 -15.530 -9.242 12.822
281 H GLY 42 H GLY 42 -10.282 -8.158 14.364
282 HA2 GLY 42 1HA GLY 42 -8.763 -9.777 15.042
283 HA3 GLY 42 2HA GLY 42 -9.915 -11.015 14.565
284 HA PRO 43 HA PRO 43 -6.513 -10.041 11.261
285 HB2 PRO 43 1HB PRO 43 -4.351 -11.389 12.199
286 HB3 PRO 43 2HB PRO 43 -4.637 -9.678 12.536
287 HG2 PRO 43 1HG PRO 43 -5.185 -12.064 14.258
288 HG3 PRO 43 2HG PRO 43 -4.484 -10.498 14.707
289 HD2 PRO 43 1HD PRO 43 -7.077 -11.121 15.174
290 HD3 PRO 43 2HD PRO 43 -6.542 -9.467 14.817
291 H SER 44 H SER 44 -5.713 -11.606 9.741
292 HA SER 44 HA SER 44 -7.217 -14.082 9.830
293 HB2 SER 44 1HB SER 44 -6.414 -14.371 7.502
294 HB3 SER 44 2HB SER 44 -7.195 -12.809 7.748
295 HG SER 44 HG SER 44 -5.242 -11.816 7.704
296 H SER 45 H SER 45 -3.809 -13.124 9.475
297 HA SER 45 HA SER 45 -2.710 -15.689 9.404
298 HB2 SER 45 1HB SER 45 -1.281 -13.904 8.802
299 HB3 SER 45 2HB SER 45 -1.603 -13.032 10.300
300 HG SER 45 HG SER 45 0.060 -14.019 11.090
301 H GLY 46 H GLY 46 -2.933 -13.486 12.207
302 HA2 GLY 46 1HA GLY 46 -3.901 -14.524 14.262
303 HA3 GLY 46 2HA GLY 46 -2.831 -15.880 13.937
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