Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504909 | 2enf RC | 10174 | 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 14.540 -28.101 -1.776
2 HA2 GLY 1 1HA GLY 1 13.372 -27.111 -4.019
3 HA3 GLY 1 2HA GLY 1 13.200 -28.849 -4.217
4 H SER 2 H SER 2 12.003 -26.037 -2.692
5 HA SER 2 HA SER 2 10.288 -27.585 -0.891
6 HB2 SER 2 1HB SER 2 9.858 -25.569 0.275
7 HB3 SER 2 2HB SER 2 11.573 -25.503 -0.130
8 HG SER 2 HG SER 2 11.171 -23.752 -1.199
9 H SER 3 H SER 3 7.981 -26.844 -0.728
10 HA SER 3 HA SER 3 6.908 -26.408 -3.436
11 HB2 SER 3 1HB SER 3 5.679 -27.834 -1.065
12 HB3 SER 3 2HB SER 3 4.856 -27.550 -2.598
13 HG SER 3 HG SER 3 5.820 -29.256 -3.323
14 H GLY 4 H GLY 4 4.607 -25.447 -3.358
15 HA2 GLY 4 1HA GLY 4 4.763 -22.827 -2.403
16 HA3 GLY 4 2HA GLY 4 3.285 -23.622 -2.926
17 H SER 5 H SER 5 1.753 -23.939 -1.451
18 HA SER 5 HA SER 5 0.663 -23.775 0.551
19 HB2 SER 5 1HB SER 5 2.977 -25.602 1.024
20 HB3 SER 5 2HB SER 5 2.014 -25.103 2.415
21 HG SER 5 HG SER 5 1.162 -26.992 1.520
22 H SER 6 H SER 6 2.096 -21.479 0.000
23 HA SER 6 HA SER 6 2.885 -20.638 2.706
24 HB2 SER 6 1HB SER 6 4.882 -20.942 1.198
25 HB3 SER 6 2HB SER 6 4.230 -19.658 0.180
26 HG SER 6 HG SER 6 5.735 -18.850 1.693
27 H GLY 7 H GLY 7 1.121 -19.475 3.254
28 HA2 GLY 7 1HA GLY 7 0.461 -17.060 3.087
29 HA3 GLY 7 2HA GLY 7 0.259 -17.369 1.369
30 H THR 8 H THR 8 -1.358 -17.045 4.212
31 HA THR 8 HA THR 8 -3.627 -18.647 3.224
32 HB THR 8 HB THR 8 -2.998 -18.059 6.123
33 HG1 THR 8 HG1 THR 8 -2.607 -20.370 4.513
34 HG21 THR 8 3HG2 THR 8 -5.215 -19.522 4.729
35 HG22 THR 8 1HG2 THR 8 -5.316 -18.307 6.002
36 HG23 THR 8 2HG2 THR 8 -4.756 -19.936 6.380
37 H GLY 9 H GLY 9 -5.134 -17.324 2.448
38 HA2 GLY 9 1HA GLY 9 -6.637 -15.594 2.307
39 HA3 GLY 9 2HA GLY 9 -6.416 -15.380 4.037
40 H GLU 10 H GLU 10 -5.827 -14.100 0.954
41 HA GLU 10 HA GLU 10 -4.072 -12.042 2.124
42 HB2 GLU 10 1HB GLU 10 -2.933 -13.503 0.446
43 HB3 GLU 10 2HB GLU 10 -4.086 -12.948 -0.759
44 HG2 GLU 10 1HG GLU 10 -3.249 -10.746 -0.693
45 HG3 GLU 10 2HG GLU 10 -2.323 -11.064 0.772
46 H LYS 11 H LYS 11 -4.979 -10.107 2.224
47 HA LYS 11 HA LYS 11 -7.511 -9.512 1.161
48 HB2 LYS 11 1HB LYS 11 -5.329 -7.731 2.248
49 HB3 LYS 11 2HB LYS 11 -6.916 -7.132 1.783
50 HG2 LYS 11 1HG LYS 11 -6.696 -9.382 3.731
51 HG3 LYS 11 2HG LYS 11 -6.424 -7.720 4.262
52 HD2 LYS 11 1HD LYS 11 -8.657 -7.180 3.150
53 HD3 LYS 11 2HD LYS 11 -8.913 -8.925 3.081
54 HE2 LYS 11 1HE LYS 11 -8.307 -8.816 5.621
55 HE3 LYS 11 2HE LYS 11 -8.750 -7.117 5.454
56 HZ1 LYS 11 3HZ LYS 11 -10.459 -9.215 5.882
57 HZ2 LYS 11 1HZ LYS 11 -10.680 -8.830 4.249
58 HZ3 LYS 11 2HZ LYS 11 -10.892 -7.642 5.434
59 HA PRO 12 HA PRO 12 -6.747 -8.174 -2.949
60 HB2 PRO 12 1HB PRO 12 -8.583 -6.192 -3.215
61 HB3 PRO 12 2HB PRO 12 -9.019 -7.904 -3.160
62 HG2 PRO 12 1HG PRO 12 -9.110 -5.855 -0.979
63 HG3 PRO 12 2HG PRO 12 -10.301 -7.102 -1.393
64 HD2 PRO 12 1HD PRO 12 -8.545 -7.384 0.649
65 HD3 PRO 12 2HD PRO 12 -9.125 -8.762 -0.309
66 H TYR 13 H TYR 13 -6.189 -6.139 -0.291
67 HA TYR 13 HA TYR 13 -4.745 -4.232 -2.012
68 HB2 TYR 13 1HB TYR 13 -6.163 -3.645 0.595
69 HB3 TYR 13 2HB TYR 13 -5.187 -2.493 -0.309
70 HD1 TYR 13 HD1 TYR 13 -6.083 -3.139 -3.084
71 HD2 TYR 13 HD2 TYR 13 -8.296 -2.674 0.520
72 HE1 TYR 13 HE1 TYR 13 -8.061 -2.484 -4.391
73 HE2 TYR 13 HE2 TYR 13 -10.281 -2.019 -0.777
74 HH TYR 13 HH TYR 13 -10.169 -1.796 -4.321
75 H LYS 14 H LYS 14 -2.722 -5.067 -1.849
76 HA LYS 14 HA LYS 14 -1.542 -5.111 0.847
77 HB2 LYS 14 1HB LYS 14 -1.944 -7.420 -0.072
78 HB3 LYS 14 2HB LYS 14 -0.815 -7.036 -1.365
79 HG2 LYS 14 1HG LYS 14 1.006 -6.932 0.102
80 HG3 LYS 14 2HG LYS 14 -0.036 -6.826 1.523
81 HD2 LYS 14 1HD LYS 14 -0.730 -9.109 1.256
82 HD3 LYS 14 2HD LYS 14 0.111 -9.231 -0.292
83 HE2 LYS 14 1HE LYS 14 1.552 -10.279 1.214
84 HE3 LYS 14 2HE LYS 14 2.228 -8.660 1.038
85 HZ1 LYS 14 3HZ LYS 14 1.343 -9.942 3.378
86 HZ2 LYS 14 1HZ LYS 14 0.384 -8.572 3.121
87 HZ3 LYS 14 2HZ LYS 14 2.066 -8.421 3.218
88 H CYS 15 H CYS 15 0.706 -4.606 0.951
89 HA CYS 15 HA CYS 15 1.511 -2.734 -1.123
90 HB2 CYS 15 1HB CYS 15 1.705 -1.993 1.181
91 HB3 CYS 15 2HB CYS 15 2.712 -3.382 1.575
92 H ASN 16 H ASN 16 3.349 -2.895 -2.364
93 HA ASN 16 HA ASN 16 4.466 -5.586 -2.587
94 HB2 ASN 16 1HB ASN 16 3.537 -4.080 -4.543
95 HB3 ASN 16 2HB ASN 16 5.150 -3.375 -4.484
96 HD21 ASN 16 1HD2 ASN 16 3.718 -6.622 -4.326
97 HD22 ASN 16 2HD2 ASN 16 4.801 -7.338 -5.467
98 H GLU 17 H GLU 17 5.320 -2.379 -1.614
99 HA GLU 17 HA GLU 17 8.100 -2.464 -1.902
100 HB2 GLU 17 1HB GLU 17 6.507 -1.081 0.263
101 HB3 GLU 17 2HB GLU 17 8.165 -0.715 -0.190
102 HG2 GLU 17 1HG GLU 17 5.710 -0.344 -1.888
103 HG3 GLU 17 2HG GLU 17 6.683 0.920 -1.139
104 H CYS 18 H CYS 18 6.202 -3.091 1.056
105 HA CYS 18 HA CYS 18 8.440 -4.742 2.026
106 HB2 CYS 18 1HB CYS 18 7.495 -4.326 4.301
107 HB3 CYS 18 2HB CYS 18 8.053 -2.867 3.489
108 H GLY 19 H GLY 19 4.885 -4.514 2.044
109 HA2 GLY 19 1HA GLY 19 3.716 -6.553 1.236
110 HA3 GLY 19 2HA GLY 19 4.816 -7.462 2.261
111 H LYS 20 H LYS 20 2.219 -5.060 2.319
112 HA LYS 20 HA LYS 20 1.232 -6.268 4.787
113 HB2 LYS 20 1HB LYS 20 2.062 -3.401 4.470
114 HB3 LYS 20 2HB LYS 20 0.776 -3.832 5.589
115 HG2 LYS 20 1HG LYS 20 2.199 -4.995 6.986
116 HG3 LYS 20 2HG LYS 20 3.402 -5.248 5.720
117 HD2 LYS 20 1HD LYS 20 3.850 -2.793 5.755
118 HD3 LYS 20 2HD LYS 20 2.771 -2.667 7.147
119 HE2 LYS 20 1HE LYS 20 5.092 -4.566 7.145
120 HE3 LYS 20 2HE LYS 20 5.306 -2.867 7.563
121 HZ1 LYS 20 3HZ LYS 20 4.242 -3.122 9.515
122 HZ2 LYS 20 1HZ LYS 20 4.693 -4.743 9.336
123 HZ3 LYS 20 2HZ LYS 20 3.133 -4.247 8.910
124 H VAL 21 H VAL 21 -0.983 -6.103 5.071
125 HA VAL 21 HA VAL 21 -2.454 -5.093 2.732
126 HB VAL 21 HB VAL 21 -4.305 -6.577 3.520
127 HG11 VAL 21 1HG1 VAL 21 -1.731 -7.395 2.420
128 HG12 VAL 21 2HG1 VAL 21 -2.638 -8.724 3.145
129 HG13 VAL 21 3HG1 VAL 21 -3.366 -7.752 1.865
130 HG21 VAL 21 3HG2 VAL 21 -2.610 -8.289 5.129
131 HG22 VAL 21 1HG2 VAL 21 -2.812 -6.694 5.854
132 HG23 VAL 21 2HG2 VAL 21 -4.227 -7.670 5.462
133 H PHE 22 H PHE 22 -4.823 -4.516 3.350
134 HA PHE 22 HA PHE 22 -5.117 -3.252 5.934
135 HB2 PHE 22 1HB PHE 22 -5.106 -1.587 3.408
136 HB3 PHE 22 2HB PHE 22 -5.549 -1.008 5.010
137 HD1 PHE 22 HD2 PHE 22 -2.782 -2.141 2.882
138 HD2 PHE 22 HD1 PHE 22 -3.888 -0.501 6.651
139 HE1 PHE 22 HE2 PHE 22 -0.429 -1.575 3.323
140 HE2 PHE 22 HE1 PHE 22 -1.536 0.068 7.097
141 HZ PHE 22 HZ PHE 22 0.197 -0.470 5.433
142 H THR 23 H THR 23 -7.268 -2.600 6.383
143 HA THR 23 HA THR 23 -9.248 -4.226 5.184
144 HB THR 23 HB THR 23 -9.508 -3.612 7.491
145 HG1 THR 23 HG1 THR 23 -11.649 -2.361 7.185
146 HG21 THR 23 3HG2 THR 23 -10.263 -0.837 7.198
147 HG22 THR 23 1HG2 THR 23 -8.601 -1.103 6.672
148 HG23 THR 23 2HG2 THR 23 -9.098 -1.572 8.299
149 H GLN 24 H GLN 24 -8.173 -0.970 4.605
150 HA GLN 24 HA GLN 24 -10.112 -0.770 2.410
151 HB2 GLN 24 1HB GLN 24 -10.641 0.621 4.568
152 HB3 GLN 24 2HB GLN 24 -9.375 1.682 3.964
153 HG2 GLN 24 1HG GLN 24 -10.584 2.125 1.968
154 HG3 GLN 24 2HG GLN 24 -11.763 0.866 2.333
155 HE21 GLN 24 1HE2 GLN 24 -10.394 3.786 3.818
156 HE22 GLN 24 2HE2 GLN 24 -11.896 4.388 4.424
157 H ASN 25 H ASN 25 -9.479 0.909 0.797
158 HA ASN 25 HA ASN 25 -6.753 0.536 0.052
159 HB2 ASN 25 1HB ASN 25 -8.695 0.761 -1.544
160 HB3 ASN 25 2HB ASN 25 -8.722 2.481 -1.163
161 HD21 ASN 25 1HD2 ASN 25 -8.421 2.087 -3.675
162 HD22 ASN 25 2HD2 ASN 25 -6.785 2.250 -4.208
163 H SER 26 H SER 26 -8.641 3.382 1.051
164 HA SER 26 HA SER 26 -6.804 5.374 0.869
165 HB2 SER 26 1HB SER 26 -8.849 4.845 3.024
166 HB3 SER 26 2HB SER 26 -7.884 6.320 2.989
167 HG SER 26 HG SER 26 -9.798 5.411 1.126
168 H HIS 27 H HIS 27 -7.128 3.143 3.623
169 HA HIS 27 HA HIS 27 -5.054 4.142 5.185
170 HB2 HIS 27 1HB HIS 27 -6.403 1.488 4.955
171 HB3 HIS 27 2HB HIS 27 -4.931 1.599 5.914
172 HD1 HIS 27 HD1 HIS 27 -6.505 1.007 7.975
173 HD2 HIS 27 HD2 HIS 27 -7.184 4.698 6.194
174 HE1 HIS 27 HE1 HIS 27 -7.881 2.308 9.629
175 H LEU 28 H LEU 28 -4.957 1.505 2.794
176 HA LEU 28 HA LEU 28 -2.317 0.776 2.987
177 HB2 LEU 28 1HB LEU 28 -3.718 -0.481 1.576
178 HB3 LEU 28 2HB LEU 28 -4.155 0.933 0.619
179 HG LEU 28 HG LEU 28 -1.812 0.983 -0.243
180 HD11 LEU 28 1HD1 LEU 28 -1.498 -1.814 0.752
181 HD12 LEU 28 2HD1 LEU 28 -1.038 -0.458 1.780
182 HD13 LEU 28 3HD1 LEU 28 -0.272 -0.670 0.206
183 HD21 LEU 28 3HD2 LEU 28 -2.382 -1.586 -1.225
184 HD22 LEU 28 1HD2 LEU 28 -2.794 -0.033 -1.953
185 HD23 LEU 28 2HD2 LEU 28 -3.939 -0.832 -0.874
186 H VAL 29 H VAL 29 -3.654 3.312 0.872
187 HA VAL 29 HA VAL 29 -1.322 4.180 -0.319
188 HB VAL 29 HB VAL 29 -3.658 5.887 0.553
189 HG11 VAL 29 1HG1 VAL 29 -1.950 6.551 -1.788
190 HG12 VAL 29 2HG1 VAL 29 -2.865 7.614 -0.717
191 HG13 VAL 29 3HG1 VAL 29 -1.337 6.918 -0.176
192 HG21 VAL 29 3HG2 VAL 29 -3.833 5.491 -2.164
193 HG22 VAL 29 1HG2 VAL 29 -3.298 3.921 -1.565
194 HG23 VAL 29 2HG2 VAL 29 -4.776 4.648 -0.935
195 H ARG 30 H ARG 30 -2.760 5.358 2.719
196 HA ARG 30 HA ARG 30 -0.910 7.299 3.369
197 HB2 ARG 30 1HB ARG 30 -2.284 5.410 5.289
198 HB3 ARG 30 2HB ARG 30 -1.574 6.965 5.700
199 HG2 ARG 30 1HG ARG 30 -3.856 6.608 3.772
200 HG3 ARG 30 2HG ARG 30 -4.046 6.993 5.483
201 HD2 ARG 30 1HD ARG 30 -2.510 8.657 3.491
202 HD3 ARG 30 2HD ARG 30 -4.158 8.985 4.024
203 HE ARG 30 HE ARG 30 -2.294 8.787 6.192
204 HH11 ARG 30 1HH1 ARG 30 -3.617 10.905 3.767
205 HH12 ARG 30 2HH1 ARG 30 -3.269 12.352 4.654
206 HH21 ARG 30 1HH2 ARG 30 -1.831 10.684 7.370
207 HH22 ARG 30 2HH2 ARG 30 -2.252 12.225 6.703
208 H HIS 31 H HIS 31 -0.786 3.827 4.100
209 HA HIS 31 HA HIS 31 1.540 3.783 5.613
210 HB2 HIS 31 1HB HIS 31 0.428 1.752 5.592
211 HB3 HIS 31 2HB HIS 31 0.174 1.789 3.849
212 HD1 HIS 31 HD1 HIS 31 2.914 1.141 6.377
213 HD2 HIS 31 HD2 HIS 31 2.031 0.415 2.383
214 HE1 HIS 31 HE1 HIS 31 4.716 -0.412 5.561
215 H ARG 32 H ARG 32 1.209 3.348 2.092
216 HA ARG 32 HA ARG 32 3.765 2.921 1.318
217 HB2 ARG 32 1HB ARG 32 1.515 4.442 0.104
218 HB3 ARG 32 2HB ARG 32 3.104 4.629 -0.628
219 HG2 ARG 32 1HG ARG 32 3.215 2.409 -1.271
220 HG3 ARG 32 2HG ARG 32 2.006 1.903 -0.088
221 HD2 ARG 32 1HD ARG 32 0.752 1.836 -2.001
222 HD3 ARG 32 2HD ARG 32 0.451 3.496 -1.489
223 HE ARG 32 HE ARG 32 1.972 2.626 -3.792
224 HH11 ARG 32 1HH1 ARG 32 1.213 5.232 -1.613
225 HH12 ARG 32 2HH1 ARG 32 1.708 6.473 -2.717
226 HH21 ARG 32 1HH2 ARG 32 2.626 4.249 -5.254
227 HH22 ARG 32 2HH2 ARG 32 2.511 5.912 -4.788
228 H GLY 33 H GLY 33 2.523 5.807 2.765
229 HA2 GLY 33 1HA GLY 33 4.245 7.782 1.957
230 HA3 GLY 33 2HA GLY 33 3.627 7.648 3.596
231 H ILE 34 H ILE 34 4.928 5.137 4.175
232 HA ILE 34 HA ILE 34 7.411 6.133 5.107
233 HB ILE 34 HB ILE 34 7.829 3.907 5.955
234 HG12 ILE 34 1HG1 ILE 34 5.323 2.908 4.631
235 HG13 ILE 34 2HG1 ILE 34 6.867 2.843 3.788
236 HG21 ILE 34 1HG2 ILE 34 6.239 5.323 7.163
237 HG22 ILE 34 2HG2 ILE 34 4.915 4.629 6.230
238 HG23 ILE 34 3HG2 ILE 34 5.842 3.613 7.333
239 HD11 ILE 34 3HD1 ILE 34 6.620 0.742 4.767
240 HD12 ILE 34 1HD1 ILE 34 7.736 1.600 5.831
241 HD13 ILE 34 2HD1 ILE 34 6.042 1.420 6.289
242 H HIS 35 H HIS 35 6.449 4.371 2.266
243 HA HIS 35 HA HIS 35 9.183 3.702 1.551
244 HB2 HIS 35 1HB HIS 35 6.585 3.292 0.057
245 HB3 HIS 35 2HB HIS 35 8.156 2.692 -0.465
246 HD1 HIS 35 HD1 HIS 35 9.296 0.922 1.249
247 HD2 HIS 35 HD2 HIS 35 5.223 1.605 1.698
248 HE1 HIS 35 HE1 HIS 35 8.435 -1.014 2.603
249 H THR 36 H THR 36 6.580 5.810 0.389
250 HA THR 36 HA THR 36 7.648 6.858 -1.887
251 HB THR 36 HB THR 36 6.434 8.934 -1.439
252 HG1 THR 36 HG1 THR 36 5.919 9.523 0.547
253 HG21 THR 36 3HG2 THR 36 4.250 7.618 -0.496
254 HG22 THR 36 1HG2 THR 36 5.245 6.273 -1.052
255 HG23 THR 36 2HG2 THR 36 4.801 7.562 -2.170
256 H GLY 37 H GLY 37 9.439 7.928 -2.412
257 HA2 GLY 37 1HA GLY 37 11.427 9.059 -2.205
258 HA3 GLY 37 2HA GLY 37 10.570 10.061 -1.044
259 H GLU 38 H GLU 38 10.999 6.642 -0.521
260 HA GLU 38 HA GLU 38 13.140 7.195 1.414
261 HB2 GLU 38 1HB GLU 38 10.591 5.660 1.912
262 HB3 GLU 38 2HB GLU 38 12.006 5.524 2.947
263 HG2 GLU 38 1HG GLU 38 10.515 8.076 2.385
264 HG3 GLU 38 2HG GLU 38 10.320 7.078 3.825
265 H LYS 39 H LYS 39 14.636 6.284 -0.020
266 HA LYS 39 HA LYS 39 15.746 4.642 -1.173
267 HB2 LYS 39 1HB LYS 39 14.910 3.340 1.407
268 HB3 LYS 39 2HB LYS 39 15.900 2.483 0.232
269 HG2 LYS 39 1HG LYS 39 17.609 4.209 0.393
270 HG3 LYS 39 2HG LYS 39 16.611 5.101 1.544
271 HD2 LYS 39 1HD LYS 39 16.974 3.586 3.237
272 HD3 LYS 39 2HD LYS 39 17.292 2.255 2.123
273 HE2 LYS 39 1HE LYS 39 19.419 3.434 1.489
274 HE3 LYS 39 2HE LYS 39 19.112 4.554 2.815
275 HZ1 LYS 39 3HZ LYS 39 19.766 1.682 2.939
276 HZ2 LYS 39 1HZ LYS 39 18.954 2.429 4.222
277 HZ3 LYS 39 2HZ LYS 39 20.486 2.975 3.759
278 HA PRO 40 HA PRO 40 11.718 2.640 -2.623
279 HB2 PRO 40 1HB PRO 40 11.542 3.953 -4.992
280 HB3 PRO 40 2HB PRO 40 10.815 4.562 -3.500
281 HG2 PRO 40 1HG PRO 40 13.397 5.336 -4.803
282 HG3 PRO 40 2HG PRO 40 12.163 6.372 -4.063
283 HD2 PRO 40 1HD PRO 40 14.451 5.690 -2.785
284 HD3 PRO 40 2HD PRO 40 12.922 5.962 -1.925
285 H SER 41 H SER 41 12.741 0.690 -2.963
286 HA SER 41 HA SER 41 14.282 0.453 -5.465
287 HB2 SER 41 1HB SER 41 15.411 -1.509 -4.396
288 HB3 SER 41 2HB SER 41 15.747 0.024 -3.590
289 HG SER 41 HG SER 41 14.124 -2.114 -2.750
290 H GLY 42 H GLY 42 12.503 -0.046 -6.748
291 HA2 GLY 42 1HA GLY 42 10.492 -1.897 -6.121
292 HA3 GLY 42 2HA GLY 42 10.955 -1.414 -7.746
293 HA PRO 43 HA PRO 43 12.286 -5.871 -6.579
294 HB2 PRO 43 1HB PRO 43 10.194 -7.267 -7.601
295 HB3 PRO 43 2HB PRO 43 10.259 -6.727 -5.919
296 HG2 PRO 43 1HG PRO 43 8.833 -5.501 -8.248
297 HG3 PRO 43 2HG PRO 43 8.264 -5.737 -6.585
298 HD2 PRO 43 1HD PRO 43 9.181 -3.354 -7.486
299 HD3 PRO 43 2HD PRO 43 9.386 -3.881 -5.803
300 H SER 44 H SER 44 12.223 -7.782 -8.302
301 HA SER 44 HA SER 44 12.954 -6.552 -10.871
302 HB2 SER 44 1HB SER 44 13.860 -9.108 -9.539
303 HB3 SER 44 2HB SER 44 14.233 -8.717 -11.218
304 HG SER 44 HG SER 44 15.353 -7.770 -8.921
305 H SER 45 H SER 45 11.282 -9.340 -9.457
306 HA SER 45 HA SER 45 10.024 -9.861 -12.061
307 HB2 SER 45 1HB SER 45 11.249 -11.665 -10.567
308 HB3 SER 45 2HB SER 45 9.699 -11.704 -9.726
309 HG SER 45 HG SER 45 10.084 -12.096 -12.513
310 H GLY 46 H GLY 46 7.847 -9.744 -12.346
311 HA2 GLY 46 1HA GLY 46 6.098 -9.378 -10.044
312 HA3 GLY 46 2HA GLY 46 6.227 -8.011 -11.141
Start of MODEL 2
1 H1 GLY 1 H GLY 1 17.715 -13.256 12.973
2 HA2 GLY 1 1HA GLY 1 15.397 -12.590 13.084
3 HA3 GLY 1 2HA GLY 1 15.722 -13.044 11.418
4 H SER 2 H SER 2 13.164 -13.122 12.276
5 HA SER 2 HA SER 2 12.639 -15.998 12.658
6 HB2 SER 2 1HB SER 2 11.165 -13.570 13.649
7 HB3 SER 2 2HB SER 2 10.340 -15.119 13.480
8 HG SER 2 HG SER 2 12.410 -15.812 14.737
9 H SER 3 H SER 3 10.775 -16.871 11.564
10 HA SER 3 HA SER 3 10.253 -15.485 9.022
11 HB2 SER 3 1HB SER 3 9.608 -17.789 8.204
12 HB3 SER 3 2HB SER 3 11.308 -17.600 8.632
13 HG SER 3 HG SER 3 10.831 -19.375 9.717
14 H GLY 4 H GLY 4 8.229 -14.934 8.454
15 HA2 GLY 4 1HA GLY 4 6.178 -14.644 10.250
16 HA3 GLY 4 2HA GLY 4 5.935 -14.744 8.513
17 H SER 5 H SER 5 4.059 -15.662 10.371
18 HA SER 5 HA SER 5 4.216 -18.578 9.967
19 HB2 SER 5 1HB SER 5 2.865 -18.862 11.982
20 HB3 SER 5 2HB SER 5 4.318 -17.936 12.357
21 HG SER 5 HG SER 5 1.720 -16.884 11.901
22 H SER 6 H SER 6 2.147 -19.667 9.660
23 HA SER 6 HA SER 6 0.513 -18.253 7.777
24 HB2 SER 6 1HB SER 6 0.507 -21.052 8.881
25 HB3 SER 6 2HB SER 6 -0.818 -20.475 7.870
26 HG SER 6 HG SER 6 1.140 -21.552 6.866
27 H GLY 7 H GLY 7 -1.129 -16.975 8.286
28 HA2 GLY 7 1HA GLY 7 -3.196 -17.753 10.071
29 HA3 GLY 7 2HA GLY 7 -2.147 -16.568 10.836
30 H THR 8 H THR 8 -1.578 -14.746 9.037
31 HA THR 8 HA THR 8 -4.007 -13.316 8.713
32 HB THR 8 HB THR 8 -2.618 -11.642 7.502
33 HG1 THR 8 HG1 THR 8 -0.803 -13.769 7.594
34 HG21 THR 8 3HG2 THR 8 -1.922 -10.812 9.468
35 HG22 THR 8 1HG2 THR 8 -0.884 -12.201 9.787
36 HG23 THR 8 2HG2 THR 8 -2.603 -12.277 10.175
37 H GLY 9 H GLY 9 -5.471 -13.551 7.163
38 HA2 GLY 9 1HA GLY 9 -5.026 -15.170 4.866
39 HA3 GLY 9 2HA GLY 9 -6.455 -14.199 5.186
40 H GLU 10 H GLU 10 -5.263 -14.528 2.640
41 HA GLU 10 HA GLU 10 -3.649 -12.254 2.009
42 HB2 GLU 10 1HB GLU 10 -3.979 -12.924 -0.323
43 HB3 GLU 10 2HB GLU 10 -3.531 -14.300 0.675
44 HG2 GLU 10 1HG GLU 10 -5.210 -15.222 -0.548
45 HG3 GLU 10 2HG GLU 10 -6.130 -14.624 0.832
46 H LYS 11 H LYS 11 -4.233 -10.409 0.824
47 HA LYS 11 HA LYS 11 -7.105 -9.852 0.593
48 HB2 LYS 11 1HB LYS 11 -5.050 -8.116 1.962
49 HB3 LYS 11 2HB LYS 11 -6.620 -7.518 1.441
50 HG2 LYS 11 1HG LYS 11 -6.282 -9.835 3.326
51 HG3 LYS 11 2HG LYS 11 -6.450 -8.160 3.858
52 HD2 LYS 11 1HD LYS 11 -8.456 -9.408 2.009
53 HD3 LYS 11 2HD LYS 11 -8.560 -9.639 3.756
54 HE2 LYS 11 1HE LYS 11 -8.245 -6.881 2.664
55 HE3 LYS 11 2HE LYS 11 -9.823 -7.661 2.579
56 HZ1 LYS 11 3HZ LYS 11 -9.939 -6.626 4.600
57 HZ2 LYS 11 1HZ LYS 11 -8.293 -6.818 4.938
58 HZ3 LYS 11 2HZ LYS 11 -9.344 -8.135 5.080
59 HA PRO 12 HA PRO 12 -6.119 -8.165 -3.338
60 HB2 PRO 12 1HB PRO 12 -7.995 -6.217 -3.568
61 HB3 PRO 12 2HB PRO 12 -8.380 -7.939 -3.679
62 HG2 PRO 12 1HG PRO 12 -8.676 -6.078 -1.353
63 HG3 PRO 12 2HG PRO 12 -9.798 -7.318 -1.943
64 HD2 PRO 12 1HD PRO 12 -8.169 -7.720 0.182
65 HD3 PRO 12 2HD PRO 12 -8.643 -9.030 -0.919
66 H TYR 13 H TYR 13 -6.266 -6.022 -0.578
67 HA TYR 13 HA TYR 13 -4.679 -4.013 -2.018
68 HB2 TYR 13 1HB TYR 13 -6.442 -3.895 0.406
69 HB3 TYR 13 2HB TYR 13 -5.196 -2.675 0.163
70 HD1 TYR 13 HD2 TYR 13 -7.683 -4.369 -2.065
71 HD2 TYR 13 HD1 TYR 13 -6.067 -0.702 -0.636
72 HE1 TYR 13 HE2 TYR 13 -9.197 -3.128 -3.554
73 HE2 TYR 13 HE1 TYR 13 -7.577 0.549 -2.121
74 HH TYR 13 HH TYR 13 -9.398 -0.977 -4.599
75 H LYS 14 H LYS 14 -2.632 -4.857 -1.918
76 HA LYS 14 HA LYS 14 -1.483 -5.110 0.784
77 HB2 LYS 14 1HB LYS 14 -1.699 -7.299 -0.423
78 HB3 LYS 14 2HB LYS 14 -0.609 -6.672 -1.651
79 HG2 LYS 14 1HG LYS 14 1.209 -6.627 -0.178
80 HG3 LYS 14 2HG LYS 14 0.171 -6.775 1.242
81 HD2 LYS 14 1HD LYS 14 -0.104 -9.031 0.975
82 HD3 LYS 14 2HD LYS 14 0.100 -8.958 -0.777
83 HE2 LYS 14 1HE LYS 14 2.392 -8.366 1.057
84 HE3 LYS 14 2HE LYS 14 1.960 -10.031 0.672
85 HZ1 LYS 14 3HZ LYS 14 2.013 -8.972 -1.760
86 HZ2 LYS 14 1HZ LYS 14 3.369 -9.672 -1.029
87 HZ3 LYS 14 2HZ LYS 14 3.170 -7.993 -1.009
88 H CYS 15 H CYS 15 0.811 -4.601 0.932
89 HA CYS 15 HA CYS 15 1.478 -2.343 -0.782
90 HB2 CYS 15 1HB CYS 15 1.651 -2.096 1.667
91 HB3 CYS 15 2HB CYS 15 2.856 -3.380 1.705
92 H ASN 16 H ASN 16 2.679 -2.631 -2.529
93 HA ASN 16 HA ASN 16 4.249 -5.032 -2.876
94 HB2 ASN 16 1HB ASN 16 2.835 -3.651 -4.642
95 HB3 ASN 16 2HB ASN 16 4.350 -2.772 -4.827
96 HD21 ASN 16 1HD2 ASN 16 3.499 -6.185 -4.346
97 HD22 ASN 16 2HD2 ASN 16 4.397 -6.774 -5.700
98 H GLU 17 H GLU 17 5.167 -3.387 -0.768
99 HA GLU 17 HA GLU 17 7.826 -2.683 -1.808
100 HB2 GLU 17 1HB GLU 17 6.370 -1.140 0.344
101 HB3 GLU 17 2HB GLU 17 7.946 -0.764 -0.338
102 HG2 GLU 17 1HG GLU 17 5.502 -0.860 -2.061
103 HG3 GLU 17 2HG GLU 17 5.909 0.578 -1.126
104 H CYS 18 H CYS 18 5.937 -3.377 1.125
105 HA CYS 18 HA CYS 18 8.306 -4.751 2.214
106 HB2 CYS 18 1HB CYS 18 7.338 -4.267 4.470
107 HB3 CYS 18 2HB CYS 18 7.822 -2.829 3.577
108 H GLY 19 H GLY 19 4.746 -4.734 2.225
109 HA2 GLY 19 1HA GLY 19 3.756 -6.927 1.520
110 HA3 GLY 19 2HA GLY 19 4.845 -7.651 2.695
111 H LYS 20 H LYS 20 2.464 -4.993 2.633
112 HA LYS 20 HA LYS 20 1.201 -6.193 5.000
113 HB2 LYS 20 1HB LYS 20 2.303 -3.447 4.685
114 HB3 LYS 20 2HB LYS 20 0.790 -3.615 5.566
115 HG2 LYS 20 1HG LYS 20 1.790 -5.004 7.200
116 HG3 LYS 20 2HG LYS 20 3.255 -5.198 6.235
117 HD2 LYS 20 1HD LYS 20 3.317 -2.565 6.444
118 HD3 LYS 20 2HD LYS 20 2.351 -2.891 7.885
119 HE2 LYS 20 1HE LYS 20 4.837 -4.468 7.434
120 HE3 LYS 20 2HE LYS 20 4.981 -2.802 7.992
121 HZ1 LYS 20 3HZ LYS 20 4.282 -3.355 10.020
122 HZ2 LYS 20 1HZ LYS 20 4.590 -4.958 9.578
123 HZ3 LYS 20 2HZ LYS 20 3.026 -4.329 9.442
124 H VAL 21 H VAL 21 -0.978 -6.231 4.963
125 HA VAL 21 HA VAL 21 -2.293 -5.009 2.635
126 HB VAL 21 HB VAL 21 -4.147 -6.611 3.106
127 HG11 VAL 21 1HG1 VAL 21 -2.389 -7.077 1.442
128 HG12 VAL 21 2HG1 VAL 21 -1.457 -7.909 2.688
129 HG13 VAL 21 3HG1 VAL 21 -3.023 -8.546 2.184
130 HG21 VAL 21 3HG2 VAL 21 -2.276 -8.111 4.893
131 HG22 VAL 21 1HG2 VAL 21 -3.327 -6.860 5.557
132 HG23 VAL 21 2HG2 VAL 21 -4.026 -8.253 4.733
133 H PHE 22 H PHE 22 -4.637 -4.404 3.030
134 HA PHE 22 HA PHE 22 -5.190 -3.442 5.721
135 HB2 PHE 22 1HB PHE 22 -5.165 -1.559 3.354
136 HB3 PHE 22 2HB PHE 22 -5.586 -1.148 5.014
137 HD1 PHE 22 HD2 PHE 22 -2.800 -2.320 2.870
138 HD2 PHE 22 HD1 PHE 22 -3.947 -0.479 6.532
139 HE1 PHE 22 HE2 PHE 22 -0.447 -1.763 3.323
140 HE2 PHE 22 HE1 PHE 22 -1.595 0.082 6.991
141 HZ PHE 22 HZ PHE 22 0.159 -0.561 5.386
142 H THR 23 H THR 23 -7.409 -2.552 5.906
143 HA THR 23 HA THR 23 -9.232 -4.184 4.340
144 HB THR 23 HB THR 23 -10.967 -3.320 5.926
145 HG1 THR 23 HG1 THR 23 -9.960 -1.353 6.499
146 HG21 THR 23 3HG2 THR 23 -8.523 -4.525 7.228
147 HG22 THR 23 1HG2 THR 23 -9.764 -5.422 6.355
148 HG23 THR 23 2HG2 THR 23 -10.171 -4.586 7.853
149 H GLN 24 H GLN 24 -8.233 -0.879 4.586
150 HA GLN 24 HA GLN 24 -10.263 -0.150 2.581
151 HB2 GLN 24 1HB GLN 24 -10.503 0.849 4.958
152 HB3 GLN 24 2HB GLN 24 -9.119 1.842 4.518
153 HG2 GLN 24 1HG GLN 24 -10.294 2.980 2.875
154 HG3 GLN 24 2HG GLN 24 -11.531 1.729 2.757
155 HE21 GLN 24 1HE2 GLN 24 -13.123 3.346 2.986
156 HE22 GLN 24 2HE2 GLN 24 -13.492 4.022 4.533
157 H ASN 25 H ASN 25 -9.625 1.610 1.137
158 HA ASN 25 HA ASN 25 -7.067 1.181 0.031
159 HB2 ASN 25 1HB ASN 25 -8.970 1.914 -1.326
160 HB3 ASN 25 2HB ASN 25 -9.019 3.444 -0.453
161 HD21 ASN 25 1HD2 ASN 25 -7.947 5.085 -1.289
162 HD22 ASN 25 2HD2 ASN 25 -6.715 4.980 -2.497
163 H SER 26 H SER 26 -8.391 4.127 1.553
164 HA SER 26 HA SER 26 -6.159 5.690 1.608
165 HB2 SER 26 1HB SER 26 -8.405 6.375 2.432
166 HB3 SER 26 2HB SER 26 -8.126 5.431 3.895
167 HG SER 26 HG SER 26 -6.209 7.326 3.153
168 H HIS 27 H HIS 27 -7.061 3.272 4.055
169 HA HIS 27 HA HIS 27 -5.010 3.590 5.850
170 HB2 HIS 27 1HB HIS 27 -6.487 1.135 4.934
171 HB3 HIS 27 2HB HIS 27 -5.236 1.035 6.170
172 HD1 HIS 27 HD1 HIS 27 -6.974 0.340 7.956
173 HD2 HIS 27 HD2 HIS 27 -7.666 4.073 6.270
174 HE1 HIS 27 HE1 HIS 27 -8.685 1.439 9.435
175 H LEU 28 H LEU 28 -4.943 1.927 2.748
176 HA LEU 28 HA LEU 28 -2.243 0.977 3.126
177 HB2 LEU 28 1HB LEU 28 -3.725 -0.385 1.837
178 HB3 LEU 28 2HB LEU 28 -4.110 0.959 0.764
179 HG LEU 28 HG LEU 28 -1.835 0.896 -0.133
180 HD11 LEU 28 1HD1 LEU 28 -1.367 -1.643 1.387
181 HD12 LEU 28 2HD1 LEU 28 -0.903 -0.077 2.053
182 HD13 LEU 28 3HD1 LEU 28 -0.206 -0.628 0.530
183 HD21 LEU 28 3HD2 LEU 28 -3.792 -0.587 -0.946
184 HD22 LEU 28 1HD2 LEU 28 -2.864 -1.912 -0.244
185 HD23 LEU 28 2HD2 LEU 28 -2.162 -0.927 -1.528
186 H VAL 29 H VAL 29 -3.679 3.013 0.572
187 HA VAL 29 HA VAL 29 -1.496 4.054 -0.600
188 HB VAL 29 HB VAL 29 -4.009 4.656 -0.925
189 HG11 VAL 29 1HG1 VAL 29 -3.134 7.028 0.714
190 HG12 VAL 29 2HG1 VAL 29 -4.713 6.757 -0.026
191 HG13 VAL 29 3HG1 VAL 29 -4.181 5.743 1.316
192 HG21 VAL 29 3HG2 VAL 29 -1.614 5.690 -1.895
193 HG22 VAL 29 1HG2 VAL 29 -3.215 5.874 -2.611
194 HG23 VAL 29 2HG2 VAL 29 -2.593 7.106 -1.514
195 H ARG 30 H ARG 30 -2.775 5.036 2.537
196 HA ARG 30 HA ARG 30 -0.997 7.221 2.911
197 HB2 ARG 30 1HB ARG 30 -3.121 6.999 4.141
198 HB3 ARG 30 2HB ARG 30 -2.487 5.583 4.969
199 HG2 ARG 30 1HG ARG 30 -1.008 6.831 6.245
200 HG3 ARG 30 2HG ARG 30 -1.059 8.204 5.138
201 HD2 ARG 30 1HD ARG 30 -3.560 7.369 6.527
202 HD3 ARG 30 2HD ARG 30 -2.340 8.264 7.431
203 HE ARG 30 HE ARG 30 -2.682 9.719 5.156
204 HH11 ARG 30 1HH1 ARG 30 -4.814 8.525 7.636
205 HH12 ARG 30 2HH1 ARG 30 -5.939 9.834 7.481
206 HH21 ARG 30 1HH2 ARG 30 -4.155 11.446 4.942
207 HH22 ARG 30 2HH2 ARG 30 -5.564 11.494 5.948
208 H HIS 31 H HIS 31 -0.923 3.816 3.854
209 HA HIS 31 HA HIS 31 1.380 3.933 5.466
210 HB2 HIS 31 1HB HIS 31 0.221 1.956 5.749
211 HB3 HIS 31 2HB HIS 31 -0.083 1.763 4.024
212 HD1 HIS 31 HD1 HIS 31 2.397 0.984 6.688
213 HD2 HIS 31 HD2 HIS 31 1.991 0.511 2.580
214 HE1 HIS 31 HE1 HIS 31 4.198 -0.638 6.017
215 H ARG 32 H ARG 32 0.982 3.160 2.020
216 HA ARG 32 HA ARG 32 3.507 2.471 1.291
217 HB2 ARG 32 1HB ARG 32 1.361 4.019 -0.087
218 HB3 ARG 32 2HB ARG 32 2.945 3.930 -0.847
219 HG2 ARG 32 1HG ARG 32 2.778 1.684 -1.256
220 HG3 ARG 32 2HG ARG 32 1.661 1.413 0.083
221 HD2 ARG 32 1HD ARG 32 0.482 1.158 -2.004
222 HD3 ARG 32 2HD ARG 32 -0.089 2.611 -1.185
223 HE ARG 32 HE ARG 32 1.974 3.316 -2.949
224 HH11 ARG 32 1HH1 ARG 32 -1.311 2.164 -3.002
225 HH12 ARG 32 2HH1 ARG 32 -1.682 2.900 -4.525
226 HH21 ARG 32 1HH2 ARG 32 1.497 4.291 -4.955
227 HH22 ARG 32 2HH2 ARG 32 -0.084 4.109 -5.636
228 H GLY 33 H GLY 33 2.472 5.535 2.476
229 HA2 GLY 33 1HA GLY 33 4.314 7.300 1.411
230 HA3 GLY 33 2HA GLY 33 3.659 7.420 3.037
231 H ILE 34 H ILE 34 4.730 5.182 4.233
232 HA ILE 34 HA ILE 34 7.201 6.025 5.102
233 HB ILE 34 HB ILE 34 7.524 3.863 6.092
234 HG12 ILE 34 1HG1 ILE 34 5.209 2.767 4.510
235 HG13 ILE 34 2HG1 ILE 34 6.859 2.662 3.907
236 HG21 ILE 34 1HG2 ILE 34 5.952 4.499 7.526
237 HG22 ILE 34 2HG2 ILE 34 5.038 5.293 6.245
238 HG23 ILE 34 3HG2 ILE 34 4.782 3.581 6.578
239 HD11 ILE 34 3HD1 ILE 34 5.689 0.760 5.379
240 HD12 ILE 34 1HD1 ILE 34 7.428 1.052 5.370
241 HD13 ILE 34 2HD1 ILE 34 6.428 1.718 6.662
242 H HIS 35 H HIS 35 6.415 4.401 2.178
243 HA HIS 35 HA HIS 35 9.179 3.592 1.695
244 HB2 HIS 35 1HB HIS 35 6.670 3.191 0.054
245 HB3 HIS 35 2HB HIS 35 8.264 2.585 -0.388
246 HD1 HIS 35 HD1 HIS 35 9.295 0.761 1.289
247 HD2 HIS 35 HD2 HIS 35 5.244 1.571 1.730
248 HE1 HIS 35 HE1 HIS 35 8.369 -1.154 2.630
249 H THR 36 H THR 36 6.671 5.455 -0.030
250 HA THR 36 HA THR 36 8.557 6.646 -1.814
251 HB THR 36 HB THR 36 6.235 6.333 -2.501
252 HG1 THR 36 HG1 THR 36 7.383 8.891 -2.424
253 HG21 THR 36 3HG2 THR 36 4.622 6.718 -1.005
254 HG22 THR 36 1HG2 THR 36 4.854 8.439 -1.313
255 HG23 THR 36 2HG2 THR 36 5.707 7.658 0.019
256 H GLY 37 H GLY 37 9.541 8.609 -1.738
257 HA2 GLY 37 1HA GLY 37 8.861 10.863 -0.342
258 HA3 GLY 37 2HA GLY 37 9.750 9.890 0.820
259 H GLU 38 H GLU 38 9.958 12.011 -1.849
260 HA GLU 38 HA GLU 38 12.500 11.428 -2.850
261 HB2 GLU 38 1HB GLU 38 10.778 13.863 -2.780
262 HB3 GLU 38 2HB GLU 38 12.460 14.047 -3.257
263 HG2 GLU 38 1HG GLU 38 12.193 12.850 -5.189
264 HG3 GLU 38 2HG GLU 38 10.829 11.928 -4.558
265 H LYS 39 H LYS 39 14.554 12.113 -2.336
266 HA LYS 39 HA LYS 39 14.862 13.478 0.257
267 HB2 LYS 39 1HB LYS 39 16.764 12.082 0.765
268 HB3 LYS 39 2HB LYS 39 15.386 11.053 0.396
269 HG2 LYS 39 1HG LYS 39 16.414 11.096 -2.021
270 HG3 LYS 39 2HG LYS 39 17.891 11.496 -1.142
271 HD2 LYS 39 1HD LYS 39 17.831 9.478 0.078
272 HD3 LYS 39 2HD LYS 39 16.160 9.155 -0.389
273 HE2 LYS 39 1HE LYS 39 17.304 7.728 -1.785
274 HE3 LYS 39 2HE LYS 39 17.138 9.153 -2.808
275 HZ1 LYS 39 3HZ LYS 39 19.468 9.534 -1.402
276 HZ2 LYS 39 1HZ LYS 39 19.330 9.095 -3.030
277 HZ3 LYS 39 2HZ LYS 39 19.501 7.901 -1.844
278 HA PRO 40 HA PRO 40 17.468 16.372 -1.775
279 HB2 PRO 40 1HB PRO 40 19.145 17.048 0.250
280 HB3 PRO 40 2HB PRO 40 17.457 17.567 0.188
281 HG2 PRO 40 1HG PRO 40 18.690 15.311 1.721
282 HG3 PRO 40 2HG PRO 40 17.474 16.489 2.248
283 HD2 PRO 40 1HD PRO 40 16.829 13.972 1.486
284 HD3 PRO 40 2HD PRO 40 15.749 15.356 1.222
285 H SER 41 H SER 41 18.542 13.357 -0.812
286 HA SER 41 HA SER 41 21.261 13.828 -1.833
287 HB2 SER 41 1HB SER 41 21.066 12.842 0.454
288 HB3 SER 41 2HB SER 41 20.250 11.449 -0.257
289 HG SER 41 HG SER 41 22.393 10.929 -0.105
290 H GLY 42 H GLY 42 21.987 12.791 -3.620
291 HA2 GLY 42 1HA GLY 42 21.497 10.492 -4.808
292 HA3 GLY 42 2HA GLY 42 19.989 11.319 -5.169
293 HA PRO 43 HA PRO 43 21.877 12.884 -8.814
294 HB2 PRO 43 1HB PRO 43 20.256 15.015 -9.267
295 HB3 PRO 43 2HB PRO 43 19.747 13.345 -9.542
296 HG2 PRO 43 1HG PRO 43 19.194 15.134 -7.206
297 HG3 PRO 43 2HG PRO 43 18.094 14.034 -8.058
298 HD2 PRO 43 1HD PRO 43 19.260 13.392 -5.700
299 HD3 PRO 43 2HD PRO 43 18.883 12.179 -6.940
300 H SER 44 H SER 44 23.692 14.018 -9.024
301 HA SER 44 HA SER 44 23.946 16.567 -7.570
302 HB2 SER 44 1HB SER 44 26.078 14.450 -7.941
303 HB3 SER 44 2HB SER 44 26.361 16.052 -7.259
304 HG SER 44 HG SER 44 25.720 13.977 -5.913
305 H SER 45 H SER 45 23.043 16.311 -10.218
306 HA SER 45 HA SER 45 25.323 16.987 -11.910
307 HB2 SER 45 1HB SER 45 23.753 15.471 -12.916
308 HB3 SER 45 2HB SER 45 22.397 16.528 -12.524
309 HG SER 45 HG SER 45 23.491 16.531 -14.762
310 H GLY 46 H GLY 46 25.964 19.025 -12.070
311 HA2 GLY 46 1HA GLY 46 24.556 21.217 -11.003
312 HA3 GLY 46 2HA GLY 46 25.946 21.320 -12.073
Start of MODEL 3
1 H1 GLY 1 H GLY 1 17.686 -18.094 13.535
2 HA2 GLY 1 1HA GLY 1 18.039 -19.497 11.009
3 HA3 GLY 1 2HA GLY 1 16.827 -20.163 12.092
4 H SER 2 H SER 2 15.620 -19.595 9.981
5 HA SER 2 HA SER 2 14.752 -16.790 10.010
6 HB2 SER 2 1HB SER 2 15.540 -17.768 7.847
7 HB3 SER 2 2HB SER 2 14.193 -18.904 7.916
8 HG SER 2 HG SER 2 14.159 -16.119 7.530
9 H SER 3 H SER 3 12.476 -16.311 9.842
10 HA SER 3 HA SER 3 10.703 -18.445 10.810
11 HB2 SER 3 1HB SER 3 10.924 -15.649 11.949
12 HB3 SER 3 2HB SER 3 9.631 -16.783 12.341
13 HG SER 3 HG SER 3 11.666 -18.195 12.802
14 H GLY 4 H GLY 4 8.529 -18.262 10.209
15 HA2 GLY 4 1HA GLY 4 8.091 -16.898 7.730
16 HA3 GLY 4 2HA GLY 4 6.914 -17.858 8.613
17 H SER 5 H SER 5 5.167 -16.566 8.671
18 HA SER 5 HA SER 5 5.251 -14.241 10.356
19 HB2 SER 5 1HB SER 5 4.390 -12.655 8.691
20 HB3 SER 5 2HB SER 5 5.976 -13.260 8.216
21 HG SER 5 HG SER 5 3.745 -14.648 7.292
22 H SER 6 H SER 6 3.213 -13.611 11.086
23 HA SER 6 HA SER 6 1.057 -15.498 10.416
24 HB2 SER 6 1HB SER 6 1.879 -15.455 12.788
25 HB3 SER 6 2HB SER 6 1.307 -13.791 12.902
26 HG SER 6 HG SER 6 -0.165 -16.171 12.657
27 H GLY 7 H GLY 7 0.152 -14.428 8.671
28 HA2 GLY 7 1HA GLY 7 -1.608 -12.249 9.352
29 HA3 GLY 7 2HA GLY 7 -0.322 -11.786 8.247
30 H THR 8 H THR 8 -2.295 -14.737 8.498
31 HA THR 8 HA THR 8 -2.521 -15.188 5.771
32 HB THR 8 HB THR 8 -4.520 -16.567 6.313
33 HG1 THR 8 HG1 THR 8 -4.129 -15.988 9.039
34 HG21 THR 8 3HG2 THR 8 -2.701 -17.904 6.583
35 HG22 THR 8 1HG2 THR 8 -3.213 -17.851 8.269
36 HG23 THR 8 2HG2 THR 8 -1.917 -16.795 7.707
37 H GLY 9 H GLY 9 -4.572 -15.123 4.473
38 HA2 GLY 9 1HA GLY 9 -6.802 -13.950 4.389
39 HA3 GLY 9 2HA GLY 9 -5.911 -12.524 4.900
40 H GLU 10 H GLU 10 -3.758 -12.388 3.374
41 HA GLU 10 HA GLU 10 -2.998 -11.738 1.331
42 HB2 GLU 10 1HB GLU 10 -4.764 -14.055 0.625
43 HB3 GLU 10 2HB GLU 10 -4.027 -13.095 -0.649
44 HG2 GLU 10 1HG GLU 10 -2.747 -15.124 -0.053
45 HG3 GLU 10 2HG GLU 10 -1.831 -13.628 0.123
46 H LYS 11 H LYS 11 -5.093 -10.235 2.470
47 HA LYS 11 HA LYS 11 -7.314 -9.595 1.109
48 HB2 LYS 11 1HB LYS 11 -5.245 -7.801 2.342
49 HB3 LYS 11 2HB LYS 11 -6.678 -7.123 1.581
50 HG2 LYS 11 1HG LYS 11 -8.052 -8.570 3.100
51 HG3 LYS 11 2HG LYS 11 -6.557 -8.975 3.947
52 HD2 LYS 11 1HD LYS 11 -6.223 -6.727 4.619
53 HD3 LYS 11 2HD LYS 11 -7.473 -6.139 3.520
54 HE2 LYS 11 1HE LYS 11 -8.543 -6.108 5.577
55 HE3 LYS 11 2HE LYS 11 -9.058 -7.651 4.895
56 HZ1 LYS 11 3HZ LYS 11 -7.710 -7.184 7.303
57 HZ2 LYS 11 1HZ LYS 11 -6.673 -8.065 6.296
58 HZ3 LYS 11 2HZ LYS 11 -8.214 -8.663 6.655
59 HA PRO 12 HA PRO 12 -6.399 -8.424 -3.021
60 HB2 PRO 12 1HB PRO 12 -8.301 -6.540 -3.470
61 HB3 PRO 12 2HB PRO 12 -8.667 -8.266 -3.354
62 HG2 PRO 12 1HG PRO 12 -8.953 -6.125 -1.281
63 HG3 PRO 12 2HG PRO 12 -10.068 -7.441 -1.691
64 HD2 PRO 12 1HD PRO 12 -8.405 -7.551 0.444
65 HD3 PRO 12 2HD PRO 12 -8.879 -8.996 -0.473
66 H TYR 13 H TYR 13 -6.034 -6.264 -0.439
67 HA TYR 13 HA TYR 13 -4.646 -4.338 -2.186
68 HB2 TYR 13 1HB TYR 13 -6.418 -3.900 0.184
69 HB3 TYR 13 2HB TYR 13 -5.114 -2.761 -0.128
70 HD1 TYR 13 HD2 TYR 13 -7.737 -4.517 -2.143
71 HD2 TYR 13 HD1 TYR 13 -5.748 -0.862 -1.257
72 HE1 TYR 13 HE2 TYR 13 -9.153 -3.356 -3.784
73 HE2 TYR 13 HE1 TYR 13 -7.159 0.310 -2.896
74 HH TYR 13 HH TYR 13 -8.750 -1.030 -5.244
75 H LYS 14 H LYS 14 -2.654 -5.369 -1.985
76 HA LYS 14 HA LYS 14 -1.471 -5.297 0.714
77 HB2 LYS 14 1HB LYS 14 -1.708 -7.575 -0.330
78 HB3 LYS 14 2HB LYS 14 -0.591 -7.050 -1.583
79 HG2 LYS 14 1HG LYS 14 1.175 -6.790 0.005
80 HG3 LYS 14 2HG LYS 14 0.071 -7.075 1.353
81 HD2 LYS 14 1HD LYS 14 -0.130 -9.345 0.866
82 HD3 LYS 14 2HD LYS 14 0.438 -9.137 -0.793
83 HE2 LYS 14 1HE LYS 14 2.233 -8.545 1.533
84 HE3 LYS 14 2HE LYS 14 2.022 -10.197 0.954
85 HZ1 LYS 14 3HZ LYS 14 3.853 -9.435 -0.214
86 HZ2 LYS 14 1HZ LYS 14 3.206 -7.889 -0.449
87 HZ3 LYS 14 2HZ LYS 14 2.594 -9.203 -1.320
88 H CYS 15 H CYS 15 0.641 -4.514 0.940
89 HA CYS 15 HA CYS 15 1.358 -2.483 -0.969
90 HB2 CYS 15 1HB CYS 15 1.586 -2.058 1.430
91 HB3 CYS 15 2HB CYS 15 2.735 -3.385 1.569
92 H ASN 16 H ASN 16 2.682 -2.720 -2.637
93 HA ASN 16 HA ASN 16 4.183 -5.184 -2.944
94 HB2 ASN 16 1HB ASN 16 2.795 -3.852 -4.753
95 HB3 ASN 16 2HB ASN 16 4.302 -2.959 -4.939
96 HD21 ASN 16 1HD2 ASN 16 6.146 -4.043 -5.678
97 HD22 ASN 16 2HD2 ASN 16 6.032 -5.547 -6.521
98 H GLU 17 H GLU 17 5.107 -3.494 -0.870
99 HA GLU 17 HA GLU 17 7.786 -2.867 -1.903
100 HB2 GLU 17 1HB GLU 17 6.300 -1.210 0.142
101 HB3 GLU 17 2HB GLU 17 7.918 -0.902 -0.475
102 HG2 GLU 17 1HG GLU 17 5.520 -0.973 -2.273
103 HG3 GLU 17 2HG GLU 17 6.015 0.489 -1.421
104 H CYS 18 H CYS 18 5.793 -3.597 0.929
105 HA CYS 18 HA CYS 18 8.147 -4.884 2.150
106 HB2 CYS 18 1HB CYS 18 7.131 -4.342 4.365
107 HB3 CYS 18 2HB CYS 18 7.617 -2.921 3.446
108 H GLY 19 H GLY 19 4.591 -4.872 2.028
109 HA2 GLY 19 1HA GLY 19 3.583 -7.049 1.373
110 HA3 GLY 19 2HA GLY 19 4.681 -7.784 2.532
111 H LYS 20 H LYS 20 2.599 -4.909 2.756
112 HA LYS 20 HA LYS 20 1.280 -6.176 5.069
113 HB2 LYS 20 1HB LYS 20 2.303 -3.402 4.652
114 HB3 LYS 20 2HB LYS 20 0.869 -3.623 5.646
115 HG2 LYS 20 1HG LYS 20 2.032 -4.913 7.227
116 HG3 LYS 20 2HG LYS 20 3.405 -5.149 6.142
117 HD2 LYS 20 1HD LYS 20 3.950 -2.779 6.295
118 HD3 LYS 20 2HD LYS 20 2.552 -2.512 7.339
119 HE2 LYS 20 1HE LYS 20 3.502 -3.756 9.099
120 HE3 LYS 20 2HE LYS 20 4.726 -4.462 8.046
121 HZ1 LYS 20 3HZ LYS 20 6.076 -2.822 8.614
122 HZ2 LYS 20 1HZ LYS 20 4.876 -2.105 9.567
123 HZ3 LYS 20 2HZ LYS 20 5.016 -1.694 7.932
124 H VAL 21 H VAL 21 -0.901 -6.220 5.110
125 HA VAL 21 HA VAL 21 -2.295 -5.156 2.761
126 HB VAL 21 HB VAL 21 -4.189 -6.616 3.561
127 HG11 VAL 21 1HG1 VAL 21 -3.189 -7.666 1.829
128 HG12 VAL 21 2HG1 VAL 21 -1.576 -7.520 2.531
129 HG13 VAL 21 3HG1 VAL 21 -2.672 -8.783 3.091
130 HG21 VAL 21 3HG2 VAL 21 -2.682 -6.759 5.880
131 HG22 VAL 21 1HG2 VAL 21 -4.091 -7.743 5.482
132 HG23 VAL 21 2HG2 VAL 21 -2.470 -8.343 5.134
133 H PHE 22 H PHE 22 -4.648 -4.505 3.239
134 HA PHE 22 HA PHE 22 -5.072 -3.238 5.805
135 HB2 PHE 22 1HB PHE 22 -4.892 -1.569 3.287
136 HB3 PHE 22 2HB PHE 22 -5.391 -0.986 4.871
137 HD1 PHE 22 HD2 PHE 22 -2.551 -2.292 2.919
138 HD2 PHE 22 HD1 PHE 22 -3.802 -0.415 6.529
139 HE1 PHE 22 HE2 PHE 22 -0.206 -1.789 3.466
140 HE2 PHE 22 HE1 PHE 22 -1.459 0.092 7.081
141 HZ PHE 22 HZ PHE 22 0.343 -0.596 5.549
142 H THR 23 H THR 23 -7.231 -2.568 6.137
143 HA THR 23 HA THR 23 -9.167 -4.141 4.803
144 HB THR 23 HB THR 23 -10.835 -2.867 6.130
145 HG1 THR 23 HG1 THR 23 -9.752 -1.387 7.731
146 HG21 THR 23 3HG2 THR 23 -9.885 -4.766 7.200
147 HG22 THR 23 1HG2 THR 23 -9.874 -3.465 8.390
148 HG23 THR 23 2HG2 THR 23 -8.387 -3.904 7.550
149 H GLN 24 H GLN 24 -8.585 -0.626 4.806
150 HA GLN 24 HA GLN 24 -10.189 -0.450 2.342
151 HB2 GLN 24 1HB GLN 24 -10.894 0.827 4.481
152 HB3 GLN 24 2HB GLN 24 -9.550 1.897 4.106
153 HG2 GLN 24 1HG GLN 24 -11.514 2.877 3.215
154 HG3 GLN 24 2HG GLN 24 -10.568 2.264 1.859
155 HE21 GLN 24 1HE2 GLN 24 -13.208 1.364 4.037
156 HE22 GLN 24 2HE2 GLN 24 -14.103 0.466 2.864
157 H ASN 25 H ASN 25 -9.483 1.114 0.737
158 HA ASN 25 HA ASN 25 -6.782 0.825 0.056
159 HB2 ASN 25 1HB ASN 25 -7.241 2.185 -1.819
160 HB3 ASN 25 2HB ASN 25 -8.762 1.368 -1.474
161 HD21 ASN 25 1HD2 ASN 25 -7.562 4.191 -2.412
162 HD22 ASN 25 2HD2 ASN 25 -8.735 5.277 -1.757
163 H SER 26 H SER 26 -8.522 3.677 1.290
164 HA SER 26 HA SER 26 -6.524 5.531 1.354
165 HB2 SER 26 1HB SER 26 -8.909 5.862 2.098
166 HB3 SER 26 2HB SER 26 -8.466 5.121 3.637
167 HG SER 26 HG SER 26 -6.729 6.836 3.594
168 H HIS 27 H HIS 27 -7.106 2.972 3.732
169 HA HIS 27 HA HIS 27 -5.176 3.679 5.608
170 HB2 HIS 27 1HB HIS 27 -6.458 1.090 4.825
171 HB3 HIS 27 2HB HIS 27 -5.116 1.075 5.965
172 HD1 HIS 27 HD1 HIS 27 -6.723 0.259 7.841
173 HD2 HIS 27 HD2 HIS 27 -7.661 3.990 6.272
174 HE1 HIS 27 HE1 HIS 27 -8.373 1.269 9.448
175 H LEU 28 H LEU 28 -4.880 1.607 2.741
176 HA LEU 28 HA LEU 28 -2.128 1.017 3.151
177 HB2 LEU 28 1HB LEU 28 -3.411 -0.485 1.836
178 HB3 LEU 28 2HB LEU 28 -3.938 0.807 0.758
179 HG LEU 28 HG LEU 28 -1.504 1.004 0.051
180 HD11 LEU 28 1HD1 LEU 28 -0.116 -0.974 0.393
181 HD12 LEU 28 2HD1 LEU 28 -1.359 -1.674 1.429
182 HD13 LEU 28 3HD1 LEU 28 -0.522 -0.204 1.927
183 HD21 LEU 28 3HD2 LEU 28 -3.582 -0.545 -0.877
184 HD22 LEU 28 1HD2 LEU 28 -2.239 -1.684 -0.787
185 HD23 LEU 28 2HD2 LEU 28 -2.078 -0.205 -1.735
186 H VAL 29 H VAL 29 -3.793 3.195 0.872
187 HA VAL 29 HA VAL 29 -1.764 4.300 -0.512
188 HB VAL 29 HB VAL 29 -4.007 5.867 0.771
189 HG11 VAL 29 1HG1 VAL 29 -2.709 6.646 -1.794
190 HG12 VAL 29 2HG1 VAL 29 -3.536 7.646 -0.598
191 HG13 VAL 29 3HG1 VAL 29 -1.907 7.050 -0.276
192 HG21 VAL 29 3HG2 VAL 29 -5.162 4.366 -0.501
193 HG22 VAL 29 1HG2 VAL 29 -4.811 5.574 -1.738
194 HG23 VAL 29 2HG2 VAL 29 -3.824 4.117 -1.622
195 H ARG 30 H ARG 30 -2.816 5.556 2.660
196 HA ARG 30 HA ARG 30 -0.777 7.431 2.973
197 HB2 ARG 30 1HB ARG 30 -2.650 6.024 4.806
198 HB3 ARG 30 2HB ARG 30 -1.270 6.837 5.531
199 HG2 ARG 30 1HG ARG 30 -3.071 8.366 5.567
200 HG3 ARG 30 2HG ARG 30 -1.967 8.909 4.302
201 HD2 ARG 30 1HD ARG 30 -3.508 7.430 2.773
202 HD3 ARG 30 2HD ARG 30 -4.675 7.685 4.070
203 HE ARG 30 HE ARG 30 -3.694 9.654 2.192
204 HH11 ARG 30 1HH1 ARG 30 -5.324 9.064 5.211
205 HH12 ARG 30 2HH1 ARG 30 -6.111 10.607 5.237
206 HH21 ARG 30 1HH2 ARG 30 -4.725 11.689 2.215
207 HH22 ARG 30 2HH2 ARG 30 -5.770 12.099 3.532
208 H HIS 31 H HIS 31 -0.942 4.063 4.099
209 HA HIS 31 HA HIS 31 1.417 3.890 5.497
210 HB2 HIS 31 1HB HIS 31 0.076 1.978 5.563
211 HB3 HIS 31 2HB HIS 31 -0.076 1.905 3.810
212 HD1 HIS 31 HD1 HIS 31 2.325 1.094 6.591
213 HD2 HIS 31 HD2 HIS 31 1.880 0.442 2.512
214 HE1 HIS 31 HE1 HIS 31 4.077 -0.607 5.986
215 H ARG 32 H ARG 32 0.977 3.329 2.007
216 HA ARG 32 HA ARG 32 3.474 2.653 1.211
217 HB2 ARG 32 1HB ARG 32 1.726 4.692 -0.180
218 HB3 ARG 32 2HB ARG 32 3.019 3.761 -0.925
219 HG2 ARG 32 1HG ARG 32 0.775 2.323 0.407
220 HG3 ARG 32 2HG ARG 32 0.529 3.032 -1.191
221 HD2 ARG 32 1HD ARG 32 2.692 1.067 -0.443
222 HD3 ARG 32 2HD ARG 32 1.220 0.687 -1.336
223 HE ARG 32 HE ARG 32 2.753 2.757 -2.577
224 HH11 ARG 32 1HH1 ARG 32 2.453 -0.690 -2.193
225 HH12 ARG 32 2HH1 ARG 32 3.233 -1.057 -3.696
226 HH21 ARG 32 1HH2 ARG 32 3.782 2.287 -4.558
227 HH22 ARG 32 2HH2 ARG 32 3.990 0.637 -5.040
228 H GLY 33 H GLY 33 2.511 5.680 2.565
229 HA2 GLY 33 1HA GLY 33 4.451 7.419 1.604
230 HA3 GLY 33 2HA GLY 33 3.730 7.518 3.203
231 H ILE 34 H ILE 34 4.680 5.106 4.277
232 HA ILE 34 HA ILE 34 7.104 5.842 5.360
233 HB ILE 34 HB ILE 34 7.354 3.581 6.160
234 HG12 ILE 34 1HG1 ILE 34 5.027 2.602 4.569
235 HG13 ILE 34 2HG1 ILE 34 6.593 2.704 3.772
236 HG21 ILE 34 1HG2 ILE 34 5.361 3.382 7.383
237 HG22 ILE 34 2HG2 ILE 34 5.494 5.100 7.008
238 HG23 ILE 34 3HG2 ILE 34 4.394 4.078 6.083
239 HD11 ILE 34 3HD1 ILE 34 5.608 0.660 5.432
240 HD12 ILE 34 1HD1 ILE 34 7.201 0.791 4.687
241 HD13 ILE 34 2HD1 ILE 34 6.926 1.444 6.302
242 H HIS 35 H HIS 35 6.466 4.396 2.291
243 HA HIS 35 HA HIS 35 9.241 3.603 1.896
244 HB2 HIS 35 1HB HIS 35 6.869 3.439 0.024
245 HB3 HIS 35 2HB HIS 35 8.463 2.754 -0.281
246 HD1 HIS 35 HD1 HIS 35 9.081 0.588 0.965
247 HD2 HIS 35 HD2 HIS 35 5.281 2.015 1.849
248 HE1 HIS 35 HE1 HIS 35 7.926 -1.285 2.183
249 H THR 36 H THR 36 6.888 5.661 0.172
250 HA THR 36 HA THR 36 8.737 6.897 -1.524
251 HB THR 36 HB THR 36 7.038 8.664 -1.837
252 HG1 THR 36 HG1 THR 36 5.019 8.304 -0.622
253 HG21 THR 36 3HG2 THR 36 6.569 6.907 -3.246
254 HG22 THR 36 1HG2 THR 36 5.078 6.971 -2.307
255 HG23 THR 36 2HG2 THR 36 6.312 5.771 -1.922
256 H GLY 37 H GLY 37 9.541 9.092 -1.494
257 HA2 GLY 37 1HA GLY 37 9.976 11.138 -0.289
258 HA3 GLY 37 2HA GLY 37 9.812 10.235 1.210
259 H GLU 38 H GLU 38 11.566 9.219 2.078
260 HA GLU 38 HA GLU 38 14.134 9.875 0.858
261 HB2 GLU 38 1HB GLU 38 15.103 9.327 3.021
262 HB3 GLU 38 2HB GLU 38 13.766 10.451 3.223
263 HG2 GLU 38 1HG GLU 38 13.199 7.548 3.459
264 HG3 GLU 38 2HG GLU 38 14.062 8.342 4.775
265 H LYS 39 H LYS 39 15.833 8.302 0.700
266 HA LYS 39 HA LYS 39 14.944 5.833 -0.406
267 HB2 LYS 39 1HB LYS 39 17.590 7.131 0.070
268 HB3 LYS 39 2HB LYS 39 17.555 5.404 -0.263
269 HG2 LYS 39 1HG LYS 39 16.593 5.736 -2.393
270 HG3 LYS 39 2HG LYS 39 16.224 7.426 -2.042
271 HD2 LYS 39 1HD LYS 39 18.116 7.657 -3.326
272 HD3 LYS 39 2HD LYS 39 18.822 7.597 -1.709
273 HE2 LYS 39 1HE LYS 39 18.438 5.059 -3.230
274 HE3 LYS 39 2HE LYS 39 19.782 6.119 -3.652
275 HZ1 LYS 39 3HZ LYS 39 19.394 4.472 -1.300
276 HZ2 LYS 39 1HZ LYS 39 20.020 6.015 -0.997
277 HZ3 LYS 39 2HZ LYS 39 20.826 4.967 -2.053
278 HA PRO 40 HA PRO 40 14.907 3.272 3.174
279 HB2 PRO 40 1HB PRO 40 15.309 0.862 1.991
280 HB3 PRO 40 2HB PRO 40 13.779 1.741 1.884
281 HG2 PRO 40 1HG PRO 40 16.011 1.575 -0.104
282 HG3 PRO 40 2HG PRO 40 14.261 1.490 -0.377
283 HD2 PRO 40 1HD PRO 40 15.697 3.743 -0.820
284 HD3 PRO 40 2HD PRO 40 14.007 3.779 -0.277
285 H SER 41 H SER 41 16.237 1.277 4.024
286 HA SER 41 HA SER 41 19.053 2.087 3.922
287 HB2 SER 41 1HB SER 41 19.308 0.956 6.049
288 HB3 SER 41 2HB SER 41 17.897 2.010 6.136
289 HG SER 41 HG SER 41 16.635 0.100 5.632
290 H GLY 42 H GLY 42 17.046 -0.855 3.892
291 HA2 GLY 42 1HA GLY 42 18.969 -2.096 2.080
292 HA3 GLY 42 2HA GLY 42 18.713 -2.897 3.623
293 HA PRO 43 HA PRO 43 14.527 -3.122 1.181
294 HB2 PRO 43 1HB PRO 43 14.671 -2.524 -1.463
295 HB3 PRO 43 2HB PRO 43 14.300 -1.319 -0.224
296 HG2 PRO 43 1HG PRO 43 16.901 -1.891 -1.592
297 HG3 PRO 43 2HG PRO 43 16.157 -0.327 -1.212
298 HD2 PRO 43 1HD PRO 43 18.138 -1.400 0.290
299 HD3 PRO 43 2HD PRO 43 16.858 -0.384 0.983
300 H SER 44 H SER 44 17.449 -3.768 -0.735
301 HA SER 44 HA SER 44 18.111 -5.587 -1.947
302 HB2 SER 44 1HB SER 44 16.845 -6.799 0.501
303 HB3 SER 44 2HB SER 44 17.590 -7.809 -0.738
304 HG SER 44 HG SER 44 18.966 -5.634 0.422
305 H SER 45 H SER 45 15.704 -4.457 -2.865
306 HA SER 45 HA SER 45 14.333 -6.853 -3.895
307 HB2 SER 45 1HB SER 45 12.926 -5.531 -2.294
308 HB3 SER 45 2HB SER 45 13.031 -4.165 -3.406
309 HG SER 45 HG SER 45 12.185 -5.788 -5.003
310 H GLY 46 H GLY 46 14.846 -3.382 -4.551
311 HA2 GLY 46 1HA GLY 46 15.620 -2.383 -6.498
312 HA3 GLY 46 2HA GLY 46 15.736 -3.975 -7.232
Start of MODEL 4
1 H1 GLY 1 H GLY 1 0.155 -21.848 10.116
2 HA2 GLY 1 1HA GLY 1 0.910 -21.827 12.416
3 HA3 GLY 1 2HA GLY 1 2.538 -21.533 11.825
4 H SER 2 H SER 2 2.832 -19.691 13.076
5 HA SER 2 HA SER 2 1.022 -17.438 12.597
6 HB2 SER 2 1HB SER 2 1.828 -18.210 14.947
7 HB3 SER 2 2HB SER 2 3.328 -17.385 14.525
8 HG SER 2 HG SER 2 2.266 -15.726 15.303
9 H SER 3 H SER 3 1.674 -16.841 10.524
10 HA SER 3 HA SER 3 3.802 -14.997 10.378
11 HB2 SER 3 1HB SER 3 5.323 -16.142 8.871
12 HB3 SER 3 2HB SER 3 5.143 -17.098 10.343
13 HG SER 3 HG SER 3 3.394 -17.647 8.248
14 H GLY 4 H GLY 4 3.312 -13.567 8.836
15 HA2 GLY 4 1HA GLY 4 1.049 -14.044 7.131
16 HA3 GLY 4 2HA GLY 4 2.007 -12.573 7.206
17 H SER 5 H SER 5 2.052 -15.898 5.973
18 HA SER 5 HA SER 5 3.303 -14.922 3.526
19 HB2 SER 5 1HB SER 5 4.489 -17.081 5.278
20 HB3 SER 5 2HB SER 5 4.938 -16.850 3.588
21 HG SER 5 HG SER 5 6.255 -15.761 5.277
22 H SER 6 H SER 6 2.518 -15.895 1.755
23 HA SER 6 HA SER 6 1.232 -17.230 0.435
24 HB2 SER 6 1HB SER 6 2.925 -18.922 1.257
25 HB3 SER 6 2HB SER 6 1.741 -19.407 2.470
26 HG SER 6 HG SER 6 0.318 -19.590 0.459
27 H GLY 7 H GLY 7 -0.178 -15.615 2.161
28 HA2 GLY 7 1HA GLY 7 -2.126 -17.022 3.685
29 HA3 GLY 7 2HA GLY 7 -2.221 -15.341 3.183
30 H THR 8 H THR 8 -3.358 -18.504 2.669
31 HA THR 8 HA THR 8 -4.191 -18.630 0.078
32 HB THR 8 HB THR 8 -5.838 -19.422 2.488
33 HG1 THR 8 HG1 THR 8 -3.598 -20.320 2.099
34 HG21 THR 8 3HG2 THR 8 -7.395 -19.710 0.859
35 HG22 THR 8 1HG2 THR 8 -6.499 -21.206 0.597
36 HG23 THR 8 2HG2 THR 8 -6.192 -19.803 -0.427
37 H GLY 9 H GLY 9 -6.076 -17.152 2.729
38 HA2 GLY 9 1HA GLY 9 -7.787 -15.853 0.738
39 HA3 GLY 9 2HA GLY 9 -8.102 -15.956 2.464
40 H GLU 10 H GLU 10 -5.349 -14.745 0.551
41 HA GLU 10 HA GLU 10 -4.825 -12.596 2.296
42 HB2 GLU 10 1HB GLU 10 -3.235 -11.855 0.683
43 HB3 GLU 10 2HB GLU 10 -3.211 -13.612 0.655
44 HG2 GLU 10 1HG GLU 10 -4.429 -13.685 -1.376
45 HG3 GLU 10 2HG GLU 10 -4.795 -11.962 -1.291
46 H LYS 11 H LYS 11 -5.173 -10.364 2.046
47 HA LYS 11 HA LYS 11 -7.736 -9.696 0.950
48 HB2 LYS 11 1HB LYS 11 -5.610 -7.933 2.183
49 HB3 LYS 11 2HB LYS 11 -7.253 -7.430 1.808
50 HG2 LYS 11 1HG LYS 11 -8.170 -8.812 3.474
51 HG3 LYS 11 2HG LYS 11 -6.665 -9.714 3.664
52 HD2 LYS 11 1HD LYS 11 -6.521 -8.337 5.483
53 HD3 LYS 11 2HD LYS 11 -5.725 -7.320 4.279
54 HE2 LYS 11 1HE LYS 11 -7.653 -5.992 3.985
55 HE3 LYS 11 2HE LYS 11 -8.676 -7.153 4.828
56 HZ1 LYS 11 3HZ LYS 11 -8.267 -6.120 6.726
57 HZ2 LYS 11 1HZ LYS 11 -7.360 -4.954 5.900
58 HZ3 LYS 11 2HZ LYS 11 -6.598 -6.323 6.536
59 HA PRO 12 HA PRO 12 -6.592 -8.212 -3.021
60 HB2 PRO 12 1HB PRO 12 -8.390 -6.206 -3.362
61 HB3 PRO 12 2HB PRO 12 -8.835 -7.915 -3.421
62 HG2 PRO 12 1HG PRO 12 -9.113 -5.963 -1.169
63 HG3 PRO 12 2HG PRO 12 -10.267 -7.182 -1.742
64 HD2 PRO 12 1HD PRO 12 -8.701 -7.567 0.434
65 HD3 PRO 12 2HD PRO 12 -9.199 -8.897 -0.632
66 H TYR 13 H TYR 13 -6.158 -6.378 -0.235
67 HA TYR 13 HA TYR 13 -4.738 -4.279 -1.742
68 HB2 TYR 13 1HB TYR 13 -6.135 -4.127 0.932
69 HB3 TYR 13 2HB TYR 13 -5.059 -2.872 0.330
70 HD1 TYR 13 HD1 TYR 13 -5.716 -1.474 -1.567
71 HD2 TYR 13 HD2 TYR 13 -8.344 -4.430 0.003
72 HE1 TYR 13 HE1 TYR 13 -7.592 -0.439 -2.775
73 HE2 TYR 13 HE2 TYR 13 -10.227 -3.404 -1.202
74 HH TYR 13 HH TYR 13 -10.370 -1.873 -3.433
75 H LYS 14 H LYS 14 -2.620 -4.570 -1.673
76 HA LYS 14 HA LYS 14 -1.350 -5.207 0.881
77 HB2 LYS 14 1HB LYS 14 -1.654 -7.347 -0.366
78 HB3 LYS 14 2HB LYS 14 -0.681 -6.682 -1.672
79 HG2 LYS 14 1HG LYS 14 1.271 -6.778 -0.445
80 HG3 LYS 14 2HG LYS 14 0.420 -6.781 1.101
81 HD2 LYS 14 1HD LYS 14 -0.520 -9.064 0.258
82 HD3 LYS 14 2HD LYS 14 0.876 -9.025 -0.822
83 HE2 LYS 14 1HE LYS 14 2.377 -9.247 0.887
84 HE3 LYS 14 2HE LYS 14 1.326 -8.453 2.058
85 HZ1 LYS 14 3HZ LYS 14 1.409 -10.717 2.651
86 HZ2 LYS 14 1HZ LYS 14 1.149 -11.237 1.062
87 HZ3 LYS 14 2HZ LYS 14 -0.102 -10.494 1.924
88 H CYS 15 H CYS 15 0.887 -4.621 0.984
89 HA CYS 15 HA CYS 15 1.560 -2.489 -0.919
90 HB2 CYS 15 1HB CYS 15 1.437 -1.889 1.485
91 HB3 CYS 15 2HB CYS 15 2.721 -3.046 1.819
92 H ASN 16 H ASN 16 2.867 -3.089 -2.510
93 HA ASN 16 HA ASN 16 4.437 -5.420 -2.518
94 HB2 ASN 16 1HB ASN 16 3.858 -4.610 -4.639
95 HB3 ASN 16 2HB ASN 16 4.356 -2.966 -4.251
96 HD21 ASN 16 1HD2 ASN 16 5.884 -6.171 -4.144
97 HD22 ASN 16 2HD2 ASN 16 7.301 -5.709 -5.017
98 H GLU 17 H GLU 17 5.156 -2.101 -1.637
99 HA GLU 17 HA GLU 17 7.903 -2.076 -1.630
100 HB2 GLU 17 1HB GLU 17 6.143 -0.888 0.521
101 HB3 GLU 17 2HB GLU 17 7.778 -0.387 0.115
102 HG2 GLU 17 1HG GLU 17 5.450 -0.229 -1.781
103 HG3 GLU 17 2HG GLU 17 5.990 1.101 -0.758
104 H CYS 18 H CYS 18 5.865 -2.960 1.165
105 HA CYS 18 HA CYS 18 8.147 -4.485 2.231
106 HB2 CYS 18 1HB CYS 18 6.882 -4.317 4.422
107 HB3 CYS 18 2HB CYS 18 7.526 -2.804 3.794
108 H GLY 19 H GLY 19 4.588 -4.573 2.020
109 HA2 GLY 19 1HA GLY 19 3.675 -6.648 0.985
110 HA3 GLY 19 2HA GLY 19 4.782 -7.523 2.032
111 H LYS 20 H LYS 20 2.750 -4.740 2.837
112 HA LYS 20 HA LYS 20 1.421 -6.419 4.859
113 HB2 LYS 20 1HB LYS 20 2.207 -3.527 4.815
114 HB3 LYS 20 2HB LYS 20 0.866 -4.049 5.827
115 HG2 LYS 20 1HG LYS 20 2.216 -5.275 7.223
116 HG3 LYS 20 2HG LYS 20 3.469 -5.491 5.998
117 HD2 LYS 20 1HD LYS 20 4.213 -3.244 6.249
118 HD3 LYS 20 2HD LYS 20 2.815 -2.826 7.242
119 HE2 LYS 20 1HE LYS 20 3.599 -4.128 9.056
120 HE3 LYS 20 2HE LYS 20 4.822 -4.913 8.057
121 HZ1 LYS 20 3HZ LYS 20 5.402 -2.261 7.848
122 HZ2 LYS 20 1HZ LYS 20 6.202 -3.374 8.840
123 HZ3 LYS 20 2HZ LYS 20 4.950 -2.428 9.469
124 H VAL 21 H VAL 21 -0.754 -6.590 4.887
125 HA VAL 21 HA VAL 21 -2.212 -5.315 2.687
126 HB VAL 21 HB VAL 21 -4.000 -6.969 3.203
127 HG11 VAL 21 1HG1 VAL 21 -3.054 -8.385 1.756
128 HG12 VAL 21 2HG1 VAL 21 -1.646 -7.324 1.830
129 HG13 VAL 21 3HG1 VAL 21 -1.726 -8.758 2.855
130 HG21 VAL 21 3HG2 VAL 21 -3.992 -7.985 5.180
131 HG22 VAL 21 1HG2 VAL 21 -2.568 -8.889 4.664
132 HG23 VAL 21 2HG2 VAL 21 -2.379 -7.369 5.539
133 H PHE 22 H PHE 22 -4.134 -4.189 3.007
134 HA PHE 22 HA PHE 22 -4.759 -3.468 5.792
135 HB2 PHE 22 1HB PHE 22 -4.684 -1.586 3.424
136 HB3 PHE 22 2HB PHE 22 -5.189 -1.157 5.055
137 HD1 PHE 22 HD1 PHE 22 -3.569 -0.929 6.842
138 HD2 PHE 22 HD2 PHE 22 -2.360 -1.913 2.881
139 HE1 PHE 22 HE1 PHE 22 -1.242 -0.374 7.418
140 HE2 PHE 22 HE2 PHE 22 -0.031 -1.361 3.451
141 HZ PHE 22 HZ PHE 22 0.531 -0.591 5.722
142 H THR 23 H THR 23 -6.952 -2.587 6.077
143 HA THR 23 HA THR 23 -8.856 -4.183 4.605
144 HB THR 23 HB THR 23 -9.114 -3.970 7.022
145 HG1 THR 23 HG1 THR 23 -11.367 -3.111 6.932
146 HG21 THR 23 3HG2 THR 23 -8.187 -1.665 7.197
147 HG22 THR 23 1HG2 THR 23 -9.694 -1.887 8.085
148 HG23 THR 23 2HG2 THR 23 -9.701 -1.050 6.533
149 H GLN 24 H GLN 24 -8.225 -0.727 5.110
150 HA GLN 24 HA GLN 24 -10.122 -0.116 2.949
151 HB2 GLN 24 1HB GLN 24 -9.123 1.433 5.306
152 HB3 GLN 24 2HB GLN 24 -9.693 2.299 3.885
153 HG2 GLN 24 1HG GLN 24 -11.853 1.183 4.063
154 HG3 GLN 24 2HG GLN 24 -11.283 0.300 5.478
155 HE21 GLN 24 1HE2 GLN 24 -12.602 3.212 4.290
156 HE22 GLN 24 2HE2 GLN 24 -12.684 4.060 5.793
157 H ASN 25 H ASN 25 -9.526 1.289 1.263
158 HA ASN 25 HA ASN 25 -6.950 0.915 0.228
159 HB2 ASN 25 1HB ASN 25 -8.542 1.374 -1.400
160 HB3 ASN 25 2HB ASN 25 -9.249 2.699 -0.481
161 HD21 ASN 25 1HD2 ASN 25 -8.964 4.549 -1.471
162 HD22 ASN 25 2HD2 ASN 25 -7.543 5.048 -2.319
163 H SER 26 H SER 26 -8.413 3.755 1.783
164 HA SER 26 HA SER 26 -6.318 5.540 1.537
165 HB2 SER 26 1HB SER 26 -8.202 5.234 3.889
166 HB3 SER 26 2HB SER 26 -7.234 6.665 3.531
167 HG SER 26 HG SER 26 -8.388 6.818 1.539
168 H HIS 27 H HIS 27 -6.768 2.948 3.877
169 HA HIS 27 HA HIS 27 -4.684 3.603 5.632
170 HB2 HIS 27 1HB HIS 27 -5.826 0.897 4.911
171 HB3 HIS 27 2HB HIS 27 -4.749 1.196 6.272
172 HD1 HIS 27 HD1 HIS 27 -6.624 0.386 7.894
173 HD2 HIS 27 HD2 HIS 27 -7.580 3.781 5.698
174 HE1 HIS 27 HE1 HIS 27 -8.659 1.358 9.009
175 H LEU 28 H LEU 28 -4.700 1.882 2.574
176 HA LEU 28 HA LEU 28 -1.913 1.126 2.813
177 HB2 LEU 28 1HB LEU 28 -3.341 -0.430 1.712
178 HB3 LEU 28 2HB LEU 28 -3.953 0.813 0.623
179 HG LEU 28 HG LEU 28 -1.676 0.943 -0.392
180 HD11 LEU 28 1HD1 LEU 28 -0.118 -0.889 0.026
181 HD12 LEU 28 2HD1 LEU 28 -1.180 -1.510 1.289
182 HD13 LEU 28 3HD1 LEU 28 -0.400 0.059 1.486
183 HD21 LEU 28 3HD2 LEU 28 -3.609 -1.215 -0.593
184 HD22 LEU 28 1HD2 LEU 28 -1.996 -1.704 -1.111
185 HD23 LEU 28 2HD2 LEU 28 -2.780 -0.315 -1.864
186 H VAL 29 H VAL 29 -3.746 2.981 0.373
187 HA VAL 29 HA VAL 29 -1.761 4.094 -1.074
188 HB VAL 29 HB VAL 29 -4.313 4.524 -1.179
189 HG11 VAL 29 1HG1 VAL 29 -3.534 7.029 0.291
190 HG12 VAL 29 2HG1 VAL 29 -5.147 6.497 -0.190
191 HG13 VAL 29 3HG1 VAL 29 -4.283 5.649 1.093
192 HG21 VAL 29 3HG2 VAL 29 -3.665 5.666 -2.970
193 HG22 VAL 29 1HG2 VAL 29 -3.296 7.063 -1.958
194 HG23 VAL 29 2HG2 VAL 29 -2.057 5.848 -2.271
195 H ARG 30 H ARG 30 -2.725 5.057 2.170
196 HA ARG 30 HA ARG 30 -0.913 7.304 2.226
197 HB2 ARG 30 1HB ARG 30 -2.774 6.039 4.213
198 HB3 ARG 30 2HB ARG 30 -1.578 7.215 4.739
199 HG2 ARG 30 1HG ARG 30 -2.564 8.943 3.523
200 HG3 ARG 30 2HG ARG 30 -3.477 7.826 2.506
201 HD2 ARG 30 1HD ARG 30 -5.011 8.808 4.040
202 HD3 ARG 30 2HD ARG 30 -4.746 7.142 4.553
203 HE ARG 30 HE ARG 30 -2.957 8.456 6.043
204 HH11 ARG 30 1HH1 ARG 30 -6.324 9.070 5.407
205 HH12 ARG 30 2HH1 ARG 30 -6.612 9.818 6.943
206 HH21 ARG 30 1HH2 ARG 30 -3.324 9.439 8.068
207 HH22 ARG 30 2HH2 ARG 30 -4.905 10.028 8.456
208 H HIS 31 H HIS 31 -1.059 4.053 3.620
209 HA HIS 31 HA HIS 31 1.173 4.144 5.258
210 HB2 HIS 31 1HB HIS 31 -0.009 2.187 5.525
211 HB3 HIS 31 2HB HIS 31 -0.251 1.971 3.794
212 HD1 HIS 31 HD1 HIS 31 2.164 1.251 6.549
213 HD2 HIS 31 HD2 HIS 31 1.792 0.584 2.465
214 HE1 HIS 31 HE1 HIS 31 3.939 -0.437 5.979
215 H ARG 32 H ARG 32 1.025 3.096 1.854
216 HA ARG 32 HA ARG 32 3.576 2.419 1.321
217 HB2 ARG 32 1HB ARG 32 1.941 4.264 -0.430
218 HB3 ARG 32 2HB ARG 32 3.272 3.240 -0.955
219 HG2 ARG 32 1HG ARG 32 1.800 1.316 0.008
220 HG3 ARG 32 2HG ARG 32 0.495 2.489 -0.180
221 HD2 ARG 32 1HD ARG 32 2.384 1.606 -2.359
222 HD3 ARG 32 2HD ARG 32 0.732 1.028 -2.145
223 HE ARG 32 HE ARG 32 0.355 3.666 -2.332
224 HH11 ARG 32 1HH1 ARG 32 2.253 1.473 -4.258
225 HH12 ARG 32 2HH1 ARG 32 2.071 2.391 -5.717
226 HH21 ARG 32 1HH2 ARG 32 0.108 4.883 -4.246
227 HH22 ARG 32 2HH2 ARG 32 0.852 4.330 -5.708
228 H GLY 33 H GLY 33 2.462 5.584 2.186
229 HA2 GLY 33 1HA GLY 33 4.496 7.202 1.198
230 HA3 GLY 33 2HA GLY 33 3.597 7.518 2.675
231 H ILE 34 H ILE 34 4.400 5.366 4.234
232 HA ILE 34 HA ILE 34 6.625 6.236 5.519
233 HB ILE 34 HB ILE 34 6.881 4.053 6.508
234 HG12 ILE 34 1HG1 ILE 34 4.867 2.833 4.671
235 HG13 ILE 34 2HG1 ILE 34 6.532 2.970 4.116
236 HG21 ILE 34 1HG2 ILE 34 4.202 3.590 6.672
237 HG22 ILE 34 2HG2 ILE 34 5.078 4.798 7.610
238 HG23 ILE 34 3HG2 ILE 34 4.245 5.266 6.128
239 HD11 ILE 34 3HD1 ILE 34 5.750 0.808 5.286
240 HD12 ILE 34 1HD1 ILE 34 7.317 1.498 5.707
241 HD13 ILE 34 2HD1 ILE 34 5.931 1.745 6.769
242 H HIS 35 H HIS 35 6.518 4.524 2.517
243 HA HIS 35 HA HIS 35 9.348 3.872 2.569
244 HB2 HIS 35 1HB HIS 35 7.326 3.534 0.345
245 HB3 HIS 35 2HB HIS 35 8.952 2.859 0.379
246 HD1 HIS 35 HD1 HIS 35 9.333 0.761 1.801
247 HD2 HIS 35 HD2 HIS 35 5.451 2.228 1.996
248 HE1 HIS 35 HE1 HIS 35 7.988 -1.043 2.924
249 H THR 36 H THR 36 7.152 6.021 0.804
250 HA THR 36 HA THR 36 9.502 7.590 -0.032
251 HB THR 36 HB THR 36 8.624 6.470 -1.998
252 HG1 THR 36 HG1 THR 36 9.222 8.390 -2.727
253 HG21 THR 36 3HG2 THR 36 5.999 7.879 -1.587
254 HG22 THR 36 1HG2 THR 36 6.283 6.243 -0.994
255 HG23 THR 36 2HG2 THR 36 6.387 6.586 -2.721
256 H GLY 37 H GLY 37 9.490 9.481 0.986
257 HA2 GLY 37 1HA GLY 37 6.883 10.803 1.427
258 HA3 GLY 37 2HA GLY 37 8.185 10.859 2.606
259 H GLU 38 H GLU 38 10.090 12.068 2.104
260 HA GLU 38 HA GLU 38 9.501 14.334 0.353
261 HB2 GLU 38 1HB GLU 38 10.245 14.601 2.778
262 HB3 GLU 38 2HB GLU 38 11.834 14.073 2.244
263 HG2 GLU 38 1HG GLU 38 11.744 16.480 2.359
264 HG3 GLU 38 2HG GLU 38 11.933 15.956 0.686
265 H LYS 39 H LYS 39 10.088 12.021 -1.027
266 HA LYS 39 HA LYS 39 11.572 11.010 -2.467
267 HB2 LYS 39 1HB LYS 39 10.800 13.342 -3.414
268 HB3 LYS 39 2HB LYS 39 12.493 13.762 -3.190
269 HG2 LYS 39 1HG LYS 39 13.209 12.338 -4.829
270 HG3 LYS 39 2HG LYS 39 11.830 11.252 -4.641
271 HD2 LYS 39 1HD LYS 39 10.390 13.057 -5.612
272 HD3 LYS 39 2HD LYS 39 11.864 13.962 -5.963
273 HE2 LYS 39 1HE LYS 39 11.416 12.854 -7.960
274 HE3 LYS 39 2HE LYS 39 12.629 11.834 -7.187
275 HZ1 LYS 39 3HZ LYS 39 10.836 10.401 -6.391
276 HZ2 LYS 39 1HZ LYS 39 10.846 10.499 -8.080
277 HZ3 LYS 39 2HZ LYS 39 9.697 11.363 -7.189
278 HA PRO 40 HA PRO 40 15.304 11.947 0.275
279 HB2 PRO 40 1HB PRO 40 15.335 9.575 1.594
280 HB3 PRO 40 2HB PRO 40 14.434 10.982 2.170
281 HG2 PRO 40 1HG PRO 40 13.451 8.592 0.660
282 HG3 PRO 40 2HG PRO 40 12.713 9.424 2.041
283 HD2 PRO 40 1HD PRO 40 11.889 9.820 -0.508
284 HD3 PRO 40 2HD PRO 40 11.833 11.098 0.724
285 H SER 41 H SER 41 16.365 11.798 -1.797
286 HA SER 41 HA SER 41 17.618 9.175 -2.199
287 HB2 SER 41 1HB SER 41 16.186 10.837 -4.244
288 HB3 SER 41 2HB SER 41 17.550 9.834 -4.736
289 HG SER 41 HG SER 41 15.662 8.643 -4.931
290 H GLY 42 H GLY 42 19.589 9.370 -3.646
291 HA2 GLY 42 1HA GLY 42 20.867 11.842 -4.073
292 HA3 GLY 42 2HA GLY 42 21.399 11.194 -2.529
293 HA PRO 43 HA PRO 43 22.837 8.196 -6.085
294 HB2 PRO 43 1HB PRO 43 23.039 9.376 -8.522
295 HB3 PRO 43 2HB PRO 43 21.583 8.531 -7.980
296 HG2 PRO 43 1HG PRO 43 22.171 11.467 -8.008
297 HG3 PRO 43 2HG PRO 43 20.683 10.619 -8.469
298 HD2 PRO 43 1HD PRO 43 20.977 11.848 -6.074
299 HD3 PRO 43 2HD PRO 43 19.987 10.389 -6.283
300 H SER 44 H SER 44 23.658 11.492 -5.579
301 HA SER 44 HA SER 44 26.333 11.262 -6.665
302 HB2 SER 44 1HB SER 44 24.989 13.477 -5.099
303 HB3 SER 44 2HB SER 44 26.611 13.577 -5.784
304 HG SER 44 HG SER 44 24.134 13.396 -7.128
305 H SER 45 H SER 45 28.181 10.928 -5.548
306 HA SER 45 HA SER 45 28.107 10.898 -2.627
307 HB2 SER 45 1HB SER 45 27.602 8.574 -3.515
308 HB3 SER 45 2HB SER 45 29.237 8.561 -4.175
309 HG SER 45 HG SER 45 29.918 9.035 -1.950
310 H GLY 46 H GLY 46 30.044 11.382 -1.656
311 HA2 GLY 46 1HA GLY 46 32.582 11.203 -2.176
312 HA3 GLY 46 2HA GLY 46 32.155 12.293 -3.487
Start of MODEL 5
1 H1 GLY 1 H GLY 1 20.395 -16.737 1.976
2 HA2 GLY 1 1HA GLY 1 18.494 -17.605 -0.011
3 HA3 GLY 1 2HA GLY 1 19.480 -18.911 0.630
4 H SER 2 H SER 2 16.541 -17.804 0.874
5 HA SER 2 HA SER 2 16.063 -18.913 3.440
6 HB2 SER 2 1HB SER 2 15.343 -16.954 4.652
7 HB3 SER 2 2HB SER 2 16.991 -16.675 4.089
8 HG SER 2 HG SER 2 16.289 -15.051 2.969
9 H SER 3 H SER 3 14.340 -20.050 2.818
10 HA SER 3 HA SER 3 12.046 -18.578 1.725
11 HB2 SER 3 1HB SER 3 13.153 -19.726 -0.153
12 HB3 SER 3 2HB SER 3 13.023 -21.259 0.709
13 HG SER 3 HG SER 3 11.326 -20.600 -0.932
14 H GLY 4 H GLY 4 9.984 -19.584 2.117
15 HA2 GLY 4 1HA GLY 4 9.643 -21.939 3.622
16 HA3 GLY 4 2HA GLY 4 9.690 -20.571 4.723
17 H SER 5 H SER 5 7.466 -21.452 5.150
18 HA SER 5 HA SER 5 5.455 -20.975 3.148
19 HB2 SER 5 1HB SER 5 5.260 -22.781 4.860
20 HB3 SER 5 2HB SER 5 5.091 -21.538 6.100
21 HG SER 5 HG SER 5 3.151 -20.964 5.279
22 H SER 6 H SER 6 4.623 -19.061 2.686
23 HA SER 6 HA SER 6 4.400 -17.057 4.830
24 HB2 SER 6 1HB SER 6 5.016 -15.293 3.252
25 HB3 SER 6 2HB SER 6 6.306 -16.491 3.358
26 HG SER 6 HG SER 6 4.304 -16.618 1.367
27 H GLY 7 H GLY 7 2.816 -15.310 4.290
28 HA2 GLY 7 1HA GLY 7 0.946 -14.665 2.824
29 HA3 GLY 7 2HA GLY 7 0.615 -16.381 2.633
30 H THR 8 H THR 8 -0.005 -13.576 4.452
31 HA THR 8 HA THR 8 -1.635 -15.154 6.331
32 HB THR 8 HB THR 8 -0.265 -12.555 7.035
33 HG1 THR 8 HG1 THR 8 1.347 -14.078 6.878
34 HG21 THR 8 3HG2 THR 8 -2.040 -14.474 8.474
35 HG22 THR 8 1HG2 THR 8 -2.034 -12.711 8.502
36 HG23 THR 8 2HG2 THR 8 -0.799 -13.611 9.383
37 H GLY 9 H GLY 9 -3.679 -14.844 5.701
38 HA2 GLY 9 1HA GLY 9 -5.647 -13.543 5.703
39 HA3 GLY 9 2HA GLY 9 -4.663 -12.095 5.543
40 H GLU 10 H GLU 10 -3.179 -12.497 3.351
41 HA GLU 10 HA GLU 10 -3.224 -12.322 1.084
42 HB2 GLU 10 1HB GLU 10 -3.954 -14.807 1.546
43 HB3 GLU 10 2HB GLU 10 -5.509 -14.248 0.945
44 HG2 GLU 10 1HG GLU 10 -2.940 -13.914 -0.578
45 HG3 GLU 10 2HG GLU 10 -3.998 -15.314 -0.750
46 H LYS 11 H LYS 11 -4.680 -10.398 2.452
47 HA LYS 11 HA LYS 11 -7.314 -10.027 1.555
48 HB2 LYS 11 1HB LYS 11 -5.194 -8.242 2.670
49 HB3 LYS 11 2HB LYS 11 -6.621 -7.506 1.954
50 HG2 LYS 11 1HG LYS 11 -7.916 -9.142 3.504
51 HG3 LYS 11 2HG LYS 11 -6.391 -9.211 4.391
52 HD2 LYS 11 1HD LYS 11 -6.525 -7.026 5.059
53 HD3 LYS 11 2HD LYS 11 -7.463 -6.538 3.646
54 HE2 LYS 11 1HE LYS 11 -8.965 -6.411 5.444
55 HE3 LYS 11 2HE LYS 11 -9.359 -7.925 4.631
56 HZ1 LYS 11 3HZ LYS 11 -8.553 -7.514 7.303
57 HZ2 LYS 11 1HZ LYS 11 -7.428 -8.514 6.532
58 HZ3 LYS 11 2HZ LYS 11 -9.063 -8.944 6.558
59 HA PRO 12 HA PRO 12 -6.988 -8.671 -2.605
60 HB2 PRO 12 1HB PRO 12 -8.868 -6.715 -2.719
61 HB3 PRO 12 2HB PRO 12 -9.273 -8.432 -2.602
62 HG2 PRO 12 1HG PRO 12 -9.184 -6.354 -0.448
63 HG3 PRO 12 2HG PRO 12 -10.392 -7.621 -0.731
64 HD2 PRO 12 1HD PRO 12 -8.446 -7.854 1.138
65 HD3 PRO 12 2HD PRO 12 -9.096 -9.252 0.257
66 H TYR 13 H TYR 13 -6.259 -6.558 -0.034
67 HA TYR 13 HA TYR 13 -4.978 -4.679 -1.909
68 HB2 TYR 13 1HB TYR 13 -6.445 -4.139 0.661
69 HB3 TYR 13 2HB TYR 13 -5.241 -3.010 0.049
70 HD1 TYR 13 HD1 TYR 13 -5.653 -1.727 -1.978
71 HD2 TYR 13 HD2 TYR 13 -8.570 -4.432 -0.471
72 HE1 TYR 13 HE1 TYR 13 -7.348 -0.703 -3.437
73 HE2 TYR 13 HE2 TYR 13 -10.273 -3.417 -1.927
74 HH TYR 13 HH TYR 13 -9.725 -0.478 -3.622
75 H LYS 14 H LYS 14 -2.848 -4.835 -1.827
76 HA LYS 14 HA LYS 14 -1.542 -5.202 0.774
77 HB2 LYS 14 1HB LYS 14 -1.749 -7.358 -0.669
78 HB3 LYS 14 2HB LYS 14 -0.490 -6.623 -1.653
79 HG2 LYS 14 1HG LYS 14 1.079 -6.717 0.066
80 HG3 LYS 14 2HG LYS 14 -0.158 -6.933 1.307
81 HD2 LYS 14 1HD LYS 14 -0.654 -9.161 0.424
82 HD3 LYS 14 2HD LYS 14 0.576 -8.943 -0.824
83 HE2 LYS 14 1HE LYS 14 1.590 -10.229 0.879
84 HE3 LYS 14 2HE LYS 14 2.234 -8.597 1.052
85 HZ1 LYS 14 3HZ LYS 14 1.192 -8.296 3.017
86 HZ2 LYS 14 1HZ LYS 14 1.282 -9.984 3.085
87 HZ3 LYS 14 2HZ LYS 14 -0.152 -9.233 2.596
88 H CYS 15 H CYS 15 0.699 -4.517 0.809
89 HA CYS 15 HA CYS 15 1.111 -2.206 -0.903
90 HB2 CYS 15 1HB CYS 15 1.461 -1.985 1.520
91 HB3 CYS 15 2HB CYS 15 2.715 -3.220 1.455
92 H ASN 16 H ASN 16 2.333 -2.238 -2.662
93 HA ASN 16 HA ASN 16 3.909 -4.581 -3.291
94 HB2 ASN 16 1HB ASN 16 2.412 -3.085 -4.875
95 HB3 ASN 16 2HB ASN 16 3.893 -2.145 -5.023
96 HD21 ASN 16 1HD2 ASN 16 3.110 -5.605 -4.876
97 HD22 ASN 16 2HD2 ASN 16 3.995 -6.038 -6.295
98 H GLU 17 H GLU 17 4.883 -3.114 -1.076
99 HA GLU 17 HA GLU 17 7.500 -2.300 -2.138
100 HB2 GLU 17 1HB GLU 17 6.084 -0.922 0.149
101 HB3 GLU 17 2HB GLU 17 7.648 -0.492 -0.528
102 HG2 GLU 17 1HG GLU 17 5.013 -0.342 -1.974
103 HG3 GLU 17 2HG GLU 17 5.882 1.019 -1.268
104 H CYS 18 H CYS 18 5.655 -3.355 0.697
105 HA CYS 18 HA CYS 18 8.077 -4.739 1.649
106 HB2 CYS 18 1HB CYS 18 7.109 -4.449 3.966
107 HB3 CYS 18 2HB CYS 18 7.675 -2.970 3.197
108 H GLY 19 H GLY 19 4.517 -4.733 1.850
109 HA2 GLY 19 1HA GLY 19 3.530 -6.887 0.969
110 HA3 GLY 19 2HA GLY 19 4.633 -7.674 2.089
111 H LYS 20 H LYS 20 2.599 -4.797 2.523
112 HA LYS 20 HA LYS 20 1.292 -6.188 4.768
113 HB2 LYS 20 1HB LYS 20 2.795 -4.032 5.074
114 HB3 LYS 20 2HB LYS 20 1.324 -3.208 4.574
115 HG2 LYS 20 1HG LYS 20 0.176 -3.812 6.466
116 HG3 LYS 20 2HG LYS 20 1.180 -5.236 6.752
117 HD2 LYS 20 1HD LYS 20 2.997 -3.884 7.520
118 HD3 LYS 20 2HD LYS 20 2.175 -2.403 7.024
119 HE2 LYS 20 1HE LYS 20 1.862 -2.519 9.346
120 HE3 LYS 20 2HE LYS 20 0.337 -3.074 8.657
121 HZ1 LYS 20 3HZ LYS 20 2.410 -5.045 9.327
122 HZ2 LYS 20 1HZ LYS 20 0.728 -5.227 9.290
123 HZ3 LYS 20 2HZ LYS 20 1.461 -4.396 10.568
124 H VAL 21 H VAL 21 -0.921 -6.068 4.990
125 HA VAL 21 HA VAL 21 -2.363 -5.029 2.642
126 HB VAL 21 HB VAL 21 -4.191 -6.592 3.326
127 HG11 VAL 21 1HG1 VAL 21 -2.490 -7.132 1.590
128 HG12 VAL 21 2HG1 VAL 21 -1.558 -7.973 2.830
129 HG13 VAL 21 3HG1 VAL 21 -3.167 -8.548 2.392
130 HG21 VAL 21 3HG2 VAL 21 -2.110 -7.517 5.300
131 HG22 VAL 21 1HG2 VAL 21 -3.717 -6.882 5.651
132 HG23 VAL 21 2HG2 VAL 21 -3.541 -8.451 4.865
133 H PHE 22 H PHE 22 -4.589 -4.249 3.062
134 HA PHE 22 HA PHE 22 -5.077 -3.228 5.745
135 HB2 PHE 22 1HB PHE 22 -4.931 -1.394 3.343
136 HB3 PHE 22 2HB PHE 22 -5.389 -0.925 4.976
137 HD1 PHE 22 HD2 PHE 22 -2.611 -1.991 2.825
138 HD2 PHE 22 HD1 PHE 22 -3.750 -0.567 6.671
139 HE1 PHE 22 HE2 PHE 22 -0.252 -1.525 3.347
140 HE2 PHE 22 HE1 PHE 22 -1.393 -0.098 7.199
141 HZ PHE 22 HZ PHE 22 0.360 -0.578 5.536
142 H THR 23 H THR 23 -7.221 -2.902 6.202
143 HA THR 23 HA THR 23 -9.111 -4.187 4.492
144 HB THR 23 HB THR 23 -9.453 -4.398 6.849
145 HG1 THR 23 HG1 THR 23 -11.332 -3.933 5.355
146 HG21 THR 23 3HG2 THR 23 -10.255 -1.741 7.575
147 HG22 THR 23 1HG2 THR 23 -8.611 -1.712 6.939
148 HG23 THR 23 2HG2 THR 23 -9.013 -2.763 8.297
149 H GLN 24 H GLN 24 -7.855 -1.079 4.542
150 HA GLN 24 HA GLN 24 -10.084 -0.112 2.893
151 HB2 GLN 24 1HB GLN 24 -8.704 1.390 5.118
152 HB3 GLN 24 2HB GLN 24 -9.700 2.172 3.898
153 HG2 GLN 24 1HG GLN 24 -10.581 0.128 5.920
154 HG3 GLN 24 2HG GLN 24 -11.000 1.840 5.878
155 HE21 GLN 24 1HE2 GLN 24 -12.120 2.553 3.851
156 HE22 GLN 24 2HE2 GLN 24 -13.314 1.490 3.197
157 H ASN 25 H ASN 25 -9.420 0.539 0.961
158 HA ASN 25 HA ASN 25 -6.832 0.423 0.039
159 HB2 ASN 25 1HB ASN 25 -8.436 0.494 -1.643
160 HB3 ASN 25 2HB ASN 25 -9.275 1.866 -0.925
161 HD21 ASN 25 1HD2 ASN 25 -6.071 1.065 -2.227
162 HD22 ASN 25 2HD2 ASN 25 -5.875 2.539 -3.108
163 H SER 26 H SER 26 -8.606 3.395 0.903
164 HA SER 26 HA SER 26 -6.741 5.307 0.496
165 HB2 SER 26 1HB SER 26 -7.735 6.580 2.338
166 HB3 SER 26 2HB SER 26 -8.989 5.749 1.419
167 HG SER 26 HG SER 26 -9.552 4.948 3.271
168 H HIS 27 H HIS 27 -7.009 3.470 3.543
169 HA HIS 27 HA HIS 27 -4.827 4.480 4.872
170 HB2 HIS 27 1HB HIS 27 -5.973 1.688 4.865
171 HB3 HIS 27 2HB HIS 27 -4.691 2.186 5.964
172 HD1 HIS 27 HD1 HIS 27 -7.474 1.276 6.984
173 HD2 HIS 27 HD2 HIS 27 -6.362 5.229 6.355
174 HE1 HIS 27 HE1 HIS 27 -8.994 2.643 8.448
175 H LEU 28 H LEU 28 -4.832 1.580 2.794
176 HA LEU 28 HA LEU 28 -2.211 0.867 2.878
177 HB2 LEU 28 1HB LEU 28 -3.746 -0.425 1.608
178 HB3 LEU 28 2HB LEU 28 -4.090 0.926 0.531
179 HG LEU 28 HG LEU 28 -1.814 0.749 -0.389
180 HD11 LEU 28 1HD1 LEU 28 -0.264 -0.819 0.273
181 HD12 LEU 28 2HD1 LEU 28 -1.477 -1.869 1.004
182 HD13 LEU 28 3HD1 LEU 28 -0.999 -0.378 1.814
183 HD21 LEU 28 3HD2 LEU 28 -2.883 -0.489 -1.893
184 HD22 LEU 28 1HD2 LEU 28 -3.943 -1.172 -0.661
185 HD23 LEU 28 2HD2 LEU 28 -2.380 -1.919 -0.990
186 H VAL 29 H VAL 29 -3.534 3.110 0.435
187 HA VAL 29 HA VAL 29 -1.211 3.899 -0.777
188 HB VAL 29 HB VAL 29 -3.580 5.654 -0.117
189 HG11 VAL 29 1HG1 VAL 29 -2.848 7.116 -1.873
190 HG12 VAL 29 2HG1 VAL 29 -1.519 6.909 -0.729
191 HG13 VAL 29 3HG1 VAL 29 -1.504 6.044 -2.267
192 HG21 VAL 29 3HG2 VAL 29 -4.155 3.636 -1.385
193 HG22 VAL 29 1HG2 VAL 29 -4.349 5.093 -2.360
194 HG23 VAL 29 2HG2 VAL 29 -2.943 4.055 -2.596
195 H ARG 30 H ARG 30 -2.614 5.214 2.203
196 HA ARG 30 HA ARG 30 -0.709 7.248 2.602
197 HB2 ARG 30 1HB ARG 30 -2.306 5.752 4.690
198 HB3 ARG 30 2HB ARG 30 -1.521 7.312 4.904
199 HG2 ARG 30 1HG ARG 30 -3.579 6.940 2.769
200 HG3 ARG 30 2HG ARG 30 -4.060 7.218 4.445
201 HD2 ARG 30 1HD ARG 30 -4.007 9.362 3.560
202 HD3 ARG 30 2HD ARG 30 -2.430 9.218 4.337
203 HE ARG 30 HE ARG 30 -2.485 8.504 1.537
204 HH11 ARG 30 1HH1 ARG 30 -1.989 11.025 3.886
205 HH12 ARG 30 2HH1 ARG 30 -1.038 12.008 2.823
206 HH21 ARG 30 1HH2 ARG 30 -1.234 9.789 0.128
207 HH22 ARG 30 2HH2 ARG 30 -0.610 11.305 0.685
208 H HIS 31 H HIS 31 -0.877 3.916 3.817
209 HA HIS 31 HA HIS 31 1.297 3.887 5.502
210 HB2 HIS 31 1HB HIS 31 0.144 1.893 5.537
211 HB3 HIS 31 2HB HIS 31 -0.008 1.827 3.783
212 HD1 HIS 31 HD1 HIS 31 2.334 0.970 6.576
213 HD2 HIS 31 HD2 HIS 31 2.082 0.546 2.451
214 HE1 HIS 31 HE1 HIS 31 4.162 -0.640 5.953
215 H ARG 32 H ARG 32 1.292 3.296 1.994
216 HA ARG 32 HA ARG 32 3.861 2.648 1.479
217 HB2 ARG 32 1HB ARG 32 1.948 4.428 0.016
218 HB3 ARG 32 2HB ARG 32 3.591 4.246 -0.584
219 HG2 ARG 32 1HG ARG 32 3.300 2.012 -1.095
220 HG3 ARG 32 2HG ARG 32 1.946 1.829 0.022
221 HD2 ARG 32 1HD ARG 32 1.025 1.795 -2.159
222 HD3 ARG 32 2HD ARG 32 0.647 3.379 -1.482
223 HE ARG 32 HE ARG 32 3.063 3.289 -3.058
224 HH11 ARG 32 1HH1 ARG 32 -0.381 3.800 -3.064
225 HH12 ARG 32 2HH1 ARG 32 -0.370 4.739 -4.520
226 HH21 ARG 32 1HH2 ARG 32 3.090 4.525 -4.975
227 HH22 ARG 32 2HH2 ARG 32 1.604 5.150 -5.606
228 H GLY 33 H GLY 33 2.741 5.665 2.749
229 HA2 GLY 33 1HA GLY 33 4.784 7.410 2.066
230 HA3 GLY 33 2HA GLY 33 3.880 7.481 3.571
231 H ILE 34 H ILE 34 4.691 5.061 4.718
232 HA ILE 34 HA ILE 34 6.992 5.776 6.066
233 HB ILE 34 HB ILE 34 7.116 3.517 6.899
234 HG12 ILE 34 1HG1 ILE 34 4.957 2.567 5.070
235 HG13 ILE 34 2HG1 ILE 34 6.602 2.636 4.448
236 HG21 ILE 34 1HG2 ILE 34 4.474 3.203 7.224
237 HG22 ILE 34 2HG2 ILE 34 5.415 4.425 8.078
238 HG23 ILE 34 3HG2 ILE 34 4.503 4.864 6.634
239 HD11 ILE 34 3HD1 ILE 34 5.706 1.122 6.888
240 HD12 ILE 34 1HD1 ILE 34 6.058 0.428 5.306
241 HD13 ILE 34 2HD1 ILE 34 7.348 1.178 6.247
242 H HIS 35 H HIS 35 6.700 4.545 2.903
243 HA HIS 35 HA HIS 35 9.406 3.491 2.800
244 HB2 HIS 35 1HB HIS 35 7.267 3.770 0.682
245 HB3 HIS 35 2HB HIS 35 8.854 3.062 0.396
246 HD1 HIS 35 HD1 HIS 35 9.118 0.632 0.922
247 HD2 HIS 35 HD2 HIS 35 5.653 2.239 2.555
248 HE1 HIS 35 HE1 HIS 35 7.842 -1.326 1.851
249 H THR 36 H THR 36 7.555 6.103 1.242
250 HA THR 36 HA THR 36 9.888 7.247 0.030
251 HB THR 36 HB THR 36 7.708 7.510 -1.037
252 HG1 THR 36 HG1 THR 36 9.226 9.713 -0.235
253 HG21 THR 36 3HG2 THR 36 6.965 8.477 1.622
254 HG22 THR 36 1HG2 THR 36 5.959 7.795 0.344
255 HG23 THR 36 2HG2 THR 36 6.390 9.504 0.309
256 H GLY 37 H GLY 37 10.926 9.182 0.560
257 HA2 GLY 37 1HA GLY 37 10.172 10.643 2.938
258 HA3 GLY 37 2HA GLY 37 11.638 9.691 3.119
259 H GLU 38 H GLU 38 10.477 11.468 0.280
260 HA GLU 38 HA GLU 38 11.712 12.832 -1.121
261 HB2 GLU 38 1HB GLU 38 12.006 15.033 -0.149
262 HB3 GLU 38 2HB GLU 38 10.498 14.332 0.423
263 HG2 GLU 38 1HG GLU 38 11.298 14.023 2.566
264 HG3 GLU 38 2HG GLU 38 12.983 14.055 2.051
265 H LYS 39 H LYS 39 13.355 10.761 -0.199
266 HA LYS 39 HA LYS 39 15.944 12.144 -0.148
267 HB2 LYS 39 1HB LYS 39 16.830 10.493 1.437
268 HB3 LYS 39 2HB LYS 39 15.500 11.406 2.138
269 HG2 LYS 39 1HG LYS 39 14.037 9.593 2.022
270 HG3 LYS 39 2HG LYS 39 15.051 8.734 0.860
271 HD2 LYS 39 1HD LYS 39 16.807 8.788 2.797
272 HD3 LYS 39 2HD LYS 39 15.387 9.046 3.814
273 HE2 LYS 39 1HE LYS 39 15.628 6.783 1.841
274 HE3 LYS 39 2HE LYS 39 16.107 6.649 3.533
275 HZ1 LYS 39 3HZ LYS 39 13.542 7.730 3.475
276 HZ2 LYS 39 1HZ LYS 39 14.011 6.200 4.025
277 HZ3 LYS 39 2HZ LYS 39 13.539 6.412 2.415
278 HA PRO 40 HA PRO 40 16.907 9.442 -3.487
279 HB2 PRO 40 1HB PRO 40 19.617 9.541 -3.357
280 HB3 PRO 40 2HB PRO 40 18.634 10.882 -3.958
281 HG2 PRO 40 1HG PRO 40 19.865 10.497 -1.256
282 HG3 PRO 40 2HG PRO 40 19.795 11.960 -2.255
283 HD2 PRO 40 1HD PRO 40 18.114 11.534 -0.176
284 HD3 PRO 40 2HD PRO 40 17.630 12.438 -1.625
285 H SER 41 H SER 41 16.543 7.320 -3.304
286 HA SER 41 HA SER 41 18.326 5.749 -1.563
287 HB2 SER 41 1HB SER 41 15.345 5.526 -1.932
288 HB3 SER 41 2HB SER 41 16.304 4.158 -1.367
289 HG SER 41 HG SER 41 16.255 6.722 -0.149
290 H GLY 42 H GLY 42 18.049 3.292 -2.202
291 HA2 GLY 42 1HA GLY 42 17.401 2.074 -4.403
292 HA3 GLY 42 2HA GLY 42 18.566 3.194 -5.093
293 HA PRO 43 HA PRO 43 20.706 -0.753 -3.774
294 HB2 PRO 43 1HB PRO 43 21.790 -1.300 -6.202
295 HB3 PRO 43 2HB PRO 43 20.185 -1.862 -5.717
296 HG2 PRO 43 1HG PRO 43 20.937 0.487 -7.414
297 HG3 PRO 43 2HG PRO 43 19.639 -0.696 -7.654
298 HD2 PRO 43 1HD PRO 43 19.191 1.769 -6.627
299 HD3 PRO 43 2HD PRO 43 18.237 0.349 -6.153
300 H SER 44 H SER 44 22.348 0.063 -2.588
301 HA SER 44 HA SER 44 24.025 2.159 -3.159
302 HB2 SER 44 1HB SER 44 25.444 1.380 -1.422
303 HB3 SER 44 2HB SER 44 23.826 0.833 -0.985
304 HG SER 44 HG SER 44 24.414 -1.181 -1.284
305 H SER 45 H SER 45 25.678 2.518 -4.496
306 HA SER 45 HA SER 45 26.563 0.327 -6.212
307 HB2 SER 45 1HB SER 45 25.791 2.620 -7.085
308 HB3 SER 45 2HB SER 45 27.345 3.223 -6.507
309 HG SER 45 HG SER 45 27.578 2.622 -8.642
310 H GLY 46 H GLY 46 28.963 0.520 -6.906
311 HA2 GLY 46 1HA GLY 46 31.137 1.418 -5.892
312 HA3 GLY 46 2HA GLY 46 30.548 0.653 -4.423
Start of MODEL 6
1 H1 GLY 1 H GLY 1 9.618 -28.312 -6.765
2 HA2 GLY 1 1HA GLY 1 10.058 -26.278 -5.728
3 HA3 GLY 1 2HA GLY 1 9.249 -25.692 -7.174
4 H SER 2 H SER 2 9.346 -24.769 -4.292
5 HA SER 2 HA SER 2 6.565 -24.034 -4.131
6 HB2 SER 2 1HB SER 2 6.859 -26.326 -2.953
7 HB3 SER 2 2HB SER 2 7.680 -25.403 -1.695
8 HG SER 2 HG SER 2 5.768 -24.942 -0.987
9 H SER 3 H SER 3 6.476 -21.988 -3.495
10 HA SER 3 HA SER 3 8.678 -20.939 -1.838
11 HB2 SER 3 1HB SER 3 7.097 -19.406 -3.914
12 HB3 SER 3 2HB SER 3 8.481 -18.816 -2.994
13 HG SER 3 HG SER 3 8.854 -19.635 -5.224
14 H GLY 4 H GLY 4 7.515 -21.325 0.086
15 HA2 GLY 4 1HA GLY 4 4.936 -20.749 0.736
16 HA3 GLY 4 2HA GLY 4 6.271 -20.521 1.856
17 H SER 5 H SER 5 3.833 -18.981 1.675
18 HA SER 5 HA SER 5 5.027 -16.344 1.144
19 HB2 SER 5 1HB SER 5 2.431 -17.456 0.177
20 HB3 SER 5 2HB SER 5 2.491 -15.748 0.612
21 HG SER 5 HG SER 5 3.419 -15.425 -1.232
22 H SER 6 H SER 6 5.039 -17.590 3.625
23 HA SER 6 HA SER 6 4.357 -17.406 5.803
24 HB2 SER 6 1HB SER 6 4.194 -15.130 6.590
25 HB3 SER 6 2HB SER 6 5.397 -15.180 5.302
26 HG SER 6 HG SER 6 4.238 -13.696 4.389
27 H GLY 7 H GLY 7 2.336 -18.473 4.223
28 HA2 GLY 7 1HA GLY 7 0.163 -18.931 5.405
29 HA3 GLY 7 2HA GLY 7 -0.085 -17.193 5.332
30 H THR 8 H THR 8 -2.121 -18.097 4.296
31 HA THR 8 HA THR 8 -1.732 -18.052 1.393
32 HB THR 8 HB THR 8 -1.964 -20.418 1.947
33 HG1 THR 8 HG1 THR 8 -4.215 -19.199 0.703
34 HG21 THR 8 3HG2 THR 8 -3.240 -21.066 3.654
35 HG22 THR 8 1HG2 THR 8 -4.672 -20.594 2.740
36 HG23 THR 8 2HG2 THR 8 -3.892 -19.436 3.817
37 H GLY 9 H GLY 9 -3.141 -16.760 0.367
38 HA2 GLY 9 1HA GLY 9 -5.157 -15.660 -0.056
39 HA3 GLY 9 2HA GLY 9 -5.764 -16.228 1.492
40 H GLU 10 H GLU 10 -5.051 -13.525 -0.139
41 HA GLU 10 HA GLU 10 -4.575 -12.028 2.337
42 HB2 GLU 10 1HB GLU 10 -3.059 -11.704 -0.252
43 HB3 GLU 10 2HB GLU 10 -3.075 -10.481 1.011
44 HG2 GLU 10 1HG GLU 10 -2.240 -13.301 1.578
45 HG3 GLU 10 2HG GLU 10 -1.111 -12.113 0.930
46 H LYS 11 H LYS 11 -4.913 -9.599 1.900
47 HA LYS 11 HA LYS 11 -7.517 -9.322 0.684
48 HB2 LYS 11 1HB LYS 11 -5.754 -7.598 2.373
49 HB3 LYS 11 2HB LYS 11 -7.043 -6.840 1.447
50 HG2 LYS 11 1HG LYS 11 -8.657 -8.378 2.533
51 HG3 LYS 11 2HG LYS 11 -7.338 -8.986 3.537
52 HD2 LYS 11 1HD LYS 11 -7.001 -6.782 4.484
53 HD3 LYS 11 2HD LYS 11 -8.230 -6.105 3.414
54 HE2 LYS 11 1HE LYS 11 -9.341 -6.399 5.448
55 HE3 LYS 11 2HE LYS 11 -9.825 -7.796 4.489
56 HZ1 LYS 11 3HZ LYS 11 -7.592 -8.659 5.755
57 HZ2 LYS 11 1HZ LYS 11 -9.179 -8.975 6.249
58 HZ3 LYS 11 2HZ LYS 11 -8.321 -7.688 6.933
59 HA PRO 12 HA PRO 12 -6.391 -7.552 -3.170
60 HB2 PRO 12 1HB PRO 12 -8.271 -5.621 -3.492
61 HB3 PRO 12 2HB PRO 12 -8.634 -7.346 -3.621
62 HG2 PRO 12 1HG PRO 12 -9.062 -5.488 -1.313
63 HG3 PRO 12 2HG PRO 12 -10.141 -6.739 -1.958
64 HD2 PRO 12 1HD PRO 12 -8.616 -7.126 0.246
65 HD3 PRO 12 2HD PRO 12 -9.023 -8.440 -0.877
66 H TYR 13 H TYR 13 -5.898 -5.935 -0.335
67 HA TYR 13 HA TYR 13 -4.561 -3.711 -1.724
68 HB2 TYR 13 1HB TYR 13 -5.916 -3.507 0.971
69 HB3 TYR 13 2HB TYR 13 -5.143 -2.202 0.078
70 HD1 TYR 13 HD1 TYR 13 -6.161 -2.423 -2.597
71 HD2 TYR 13 HD2 TYR 13 -8.185 -3.096 1.084
72 HE1 TYR 13 HE1 TYR 13 -8.302 -1.895 -3.685
73 HE2 TYR 13 HE2 TYR 13 -10.332 -2.571 0.006
74 HH TYR 13 HH TYR 13 -10.875 -0.990 -2.338
75 H LYS 14 H LYS 14 -2.616 -4.904 -1.663
76 HA LYS 14 HA LYS 14 -1.405 -5.067 1.019
77 HB2 LYS 14 1HB LYS 14 -1.770 -7.313 0.176
78 HB3 LYS 14 2HB LYS 14 -0.981 -6.906 -1.342
79 HG2 LYS 14 1HG LYS 14 1.139 -6.769 -0.318
80 HG3 LYS 14 2HG LYS 14 0.438 -6.777 1.302
81 HD2 LYS 14 1HD LYS 14 -0.206 -9.060 1.098
82 HD3 LYS 14 2HD LYS 14 0.170 -9.077 -0.627
83 HE2 LYS 14 1HE LYS 14 2.320 -8.411 1.333
84 HE3 LYS 14 2HE LYS 14 1.839 -10.094 1.123
85 HZ1 LYS 14 3HZ LYS 14 2.129 -9.073 -1.420
86 HZ2 LYS 14 1HZ LYS 14 3.175 -10.141 -0.628
87 HZ3 LYS 14 2HZ LYS 14 3.454 -8.475 -0.554
88 H CYS 15 H CYS 15 0.621 -4.236 1.276
89 HA CYS 15 HA CYS 15 1.579 -2.504 -0.841
90 HB2 CYS 15 1HB CYS 15 1.476 -1.726 1.514
91 HB3 CYS 15 2HB CYS 15 2.679 -2.937 1.944
92 H ASN 16 H ASN 16 2.847 -3.318 -2.369
93 HA ASN 16 HA ASN 16 4.280 -5.738 -2.139
94 HB2 ASN 16 1HB ASN 16 4.617 -3.482 -4.130
95 HB3 ASN 16 2HB ASN 16 5.296 -5.098 -4.302
96 HD21 ASN 16 1HD2 ASN 16 3.973 -6.800 -4.846
97 HD22 ASN 16 2HD2 ASN 16 2.351 -6.582 -5.403
98 H GLU 17 H GLU 17 5.202 -2.365 -1.730
99 HA GLU 17 HA GLU 17 7.912 -2.410 -1.752
100 HB2 GLU 17 1HB GLU 17 6.220 -1.068 0.365
101 HB3 GLU 17 2HB GLU 17 7.880 -0.653 -0.037
102 HG2 GLU 17 1HG GLU 17 5.453 -0.345 -1.785
103 HG3 GLU 17 2HG GLU 17 6.421 0.937 -1.058
104 H CYS 18 H CYS 18 5.999 -3.084 1.186
105 HA CYS 18 HA CYS 18 8.295 -4.607 2.222
106 HB2 CYS 18 1HB CYS 18 7.226 -4.263 4.462
107 HB3 CYS 18 2HB CYS 18 7.745 -2.775 3.677
108 H GLY 19 H GLY 19 4.736 -4.619 2.102
109 HA2 GLY 19 1HA GLY 19 3.716 -6.716 1.271
110 HA3 GLY 19 2HA GLY 19 4.859 -7.566 2.299
111 H LYS 20 H LYS 20 2.438 -4.967 2.637
112 HA LYS 20 HA LYS 20 1.356 -6.417 4.957
113 HB2 LYS 20 1HB LYS 20 2.806 -4.347 5.493
114 HB3 LYS 20 2HB LYS 20 1.458 -3.412 4.859
115 HG2 LYS 20 1HG LYS 20 0.031 -4.077 6.575
116 HG3 LYS 20 2HG LYS 20 1.051 -5.448 7.018
117 HD2 LYS 20 1HD LYS 20 2.151 -2.681 7.231
118 HD3 LYS 20 2HD LYS 20 1.039 -3.264 8.471
119 HE2 LYS 20 1HE LYS 20 3.111 -3.844 9.331
120 HE3 LYS 20 2HE LYS 20 2.587 -5.334 8.548
121 HZ1 LYS 20 3HZ LYS 20 4.292 -5.252 7.146
122 HZ2 LYS 20 1HZ LYS 20 4.949 -4.037 8.124
123 HZ3 LYS 20 2HZ LYS 20 4.026 -3.624 6.767
124 H VAL 21 H VAL 21 -0.788 -6.695 4.931
125 HA VAL 21 HA VAL 21 -2.305 -5.431 2.769
126 HB VAL 21 HB VAL 21 -4.054 -7.122 3.318
127 HG11 VAL 21 1HG1 VAL 21 -2.985 -8.062 1.596
128 HG12 VAL 21 2HG1 VAL 21 -1.398 -7.631 2.236
129 HG13 VAL 21 3HG1 VAL 21 -2.210 -9.093 2.798
130 HG21 VAL 21 3HG2 VAL 21 -2.562 -7.411 5.671
131 HG22 VAL 21 1HG2 VAL 21 -3.978 -8.339 5.175
132 HG23 VAL 21 2HG2 VAL 21 -2.360 -8.922 4.784
133 H PHE 22 H PHE 22 -4.332 -4.449 3.136
134 HA PHE 22 HA PHE 22 -4.927 -3.735 5.922
135 HB2 PHE 22 1HB PHE 22 -4.779 -1.818 3.587
136 HB3 PHE 22 2HB PHE 22 -5.425 -1.410 5.174
137 HD1 PHE 22 HD2 PHE 22 -2.360 -2.502 3.408
138 HD2 PHE 22 HD1 PHE 22 -4.012 -0.743 6.914
139 HE1 PHE 22 HE2 PHE 22 -0.098 -1.902 4.168
140 HE2 PHE 22 HE1 PHE 22 -1.753 -0.139 7.679
141 HZ PHE 22 HZ PHE 22 0.208 -0.720 6.306
142 H THR 23 H THR 23 -7.126 -2.963 6.254
143 HA THR 23 HA THR 23 -9.010 -4.542 4.780
144 HB THR 23 HB THR 23 -9.345 -4.275 7.158
145 HG1 THR 23 HG1 THR 23 -11.501 -3.900 7.040
146 HG21 THR 23 3HG2 THR 23 -8.315 -2.082 7.453
147 HG22 THR 23 1HG2 THR 23 -9.939 -2.102 8.139
148 HG23 THR 23 2HG2 THR 23 -9.649 -1.325 6.582
149 H GLN 24 H GLN 24 -8.393 -1.067 5.150
150 HA GLN 24 HA GLN 24 -10.307 -0.532 2.990
151 HB2 GLN 24 1HB GLN 24 -9.084 1.225 5.110
152 HB3 GLN 24 2HB GLN 24 -9.944 1.889 3.727
153 HG2 GLN 24 1HG GLN 24 -11.110 -0.030 5.731
154 HG3 GLN 24 2HG GLN 24 -11.345 1.717 5.735
155 HE21 GLN 24 1HE2 GLN 24 -12.874 2.589 4.464
156 HE22 GLN 24 2HE2 GLN 24 -13.877 1.693 3.380
157 H ASN 25 H ASN 25 -9.713 0.995 1.315
158 HA ASN 25 HA ASN 25 -7.089 0.458 0.288
159 HB2 ASN 25 1HB ASN 25 -9.153 0.630 -1.130
160 HB3 ASN 25 2HB ASN 25 -9.164 2.362 -0.812
161 HD21 ASN 25 1HD2 ASN 25 -7.731 3.676 -1.849
162 HD22 ASN 25 2HD2 ASN 25 -6.687 3.134 -3.114
163 H SER 26 H SER 26 -8.810 3.379 1.359
164 HA SER 26 HA SER 26 -6.894 5.287 0.879
165 HB2 SER 26 1HB SER 26 -7.862 6.496 2.876
166 HB3 SER 26 2HB SER 26 -9.048 5.958 1.688
167 HG SER 26 HG SER 26 -9.939 5.149 3.435
168 H HIS 27 H HIS 27 -7.196 3.235 3.764
169 HA HIS 27 HA HIS 27 -5.115 4.243 5.271
170 HB2 HIS 27 1HB HIS 27 -6.390 1.554 5.043
171 HB3 HIS 27 2HB HIS 27 -4.907 1.698 5.982
172 HD1 HIS 27 HD1 HIS 27 -6.349 1.090 8.102
173 HD2 HIS 27 HD2 HIS 27 -7.323 4.693 6.275
174 HE1 HIS 27 HE1 HIS 27 -7.756 2.333 9.775
175 H LEU 28 H LEU 28 -4.923 1.477 3.024
176 HA LEU 28 HA LEU 28 -2.213 1.003 3.169
177 HB2 LEU 28 1HB LEU 28 -3.628 -0.504 1.990
178 HB3 LEU 28 2HB LEU 28 -4.112 0.749 0.849
179 HG LEU 28 HG LEU 28 -1.666 0.766 0.102
180 HD11 LEU 28 1HD1 LEU 28 -1.142 -0.716 2.224
181 HD12 LEU 28 2HD1 LEU 28 -0.228 -0.887 0.726
182 HD13 LEU 28 3HD1 LEU 28 -1.520 -2.026 1.104
183 HD21 LEU 28 3HD2 LEU 28 -3.783 -0.403 -0.936
184 HD22 LEU 28 1HD2 LEU 28 -2.911 -1.871 -0.494
185 HD23 LEU 28 2HD2 LEU 28 -2.169 -0.699 -1.584
186 H VAL 29 H VAL 29 -3.881 3.126 0.841
187 HA VAL 29 HA VAL 29 -1.824 4.064 -0.652
188 HB VAL 29 HB VAL 29 -4.049 5.747 0.509
189 HG11 VAL 29 1HG1 VAL 29 -2.549 7.315 -0.311
190 HG12 VAL 29 2HG1 VAL 29 -2.025 6.271 -1.634
191 HG13 VAL 29 3HG1 VAL 29 -3.613 7.037 -1.689
192 HG21 VAL 29 3HG2 VAL 29 -3.947 4.507 -2.226
193 HG22 VAL 29 1HG2 VAL 29 -4.625 3.656 -0.838
194 HG23 VAL 29 2HG2 VAL 29 -5.336 5.179 -1.371
195 H ARG 30 H ARG 30 -2.823 5.479 2.467
196 HA ARG 30 HA ARG 30 -0.790 7.385 2.644
197 HB2 ARG 30 1HB ARG 30 -2.509 5.998 4.672
198 HB3 ARG 30 2HB ARG 30 -1.221 7.074 5.198
199 HG2 ARG 30 1HG ARG 30 -2.220 8.897 3.909
200 HG3 ARG 30 2HG ARG 30 -3.517 7.815 3.397
201 HD2 ARG 30 1HD ARG 30 -4.029 7.465 5.840
202 HD3 ARG 30 2HD ARG 30 -2.904 8.779 6.182
203 HE ARG 30 HE ARG 30 -4.998 9.418 4.295
204 HH11 ARG 30 1HH1 ARG 30 -3.989 9.405 7.627
205 HH12 ARG 30 2HH1 ARG 30 -5.103 10.642 8.105
206 HH21 ARG 30 1HH2 ARG 30 -6.470 11.048 4.912
207 HH22 ARG 30 2HH2 ARG 30 -6.515 11.575 6.561
208 H HIS 31 H HIS 31 -0.930 4.100 4.007
209 HA HIS 31 HA HIS 31 1.436 3.979 5.360
210 HB2 HIS 31 1HB HIS 31 0.055 2.068 5.442
211 HB3 HIS 31 2HB HIS 31 0.031 1.905 3.688
212 HD1 HIS 31 HD1 HIS 31 1.920 0.913 6.700
213 HD2 HIS 31 HD2 HIS 31 2.420 0.790 2.577
214 HE1 HIS 31 HE1 HIS 31 3.819 -0.686 6.300
215 H ARG 32 H ARG 32 1.028 3.229 1.897
216 HA ARG 32 HA ARG 32 3.488 2.566 1.087
217 HB2 ARG 32 1HB ARG 32 1.689 4.599 -0.241
218 HB3 ARG 32 2HB ARG 32 3.076 3.849 -1.020
219 HG2 ARG 32 1HG ARG 32 0.757 2.293 0.095
220 HG3 ARG 32 2HG ARG 32 0.858 2.840 -1.580
221 HD2 ARG 32 1HD ARG 32 3.008 1.182 -0.289
222 HD3 ARG 32 2HD ARG 32 1.615 0.460 -1.093
223 HE ARG 32 HE ARG 32 3.857 1.793 -2.345
224 HH11 ARG 32 1HH1 ARG 32 0.601 0.612 -2.694
225 HH12 ARG 32 2HH1 ARG 32 0.683 0.513 -4.422
226 HH21 ARG 32 1HH2 ARG 32 3.978 1.666 -4.620
227 HH22 ARG 32 2HH2 ARG 32 2.604 1.112 -5.516
228 H GLY 33 H GLY 33 2.541 5.740 2.220
229 HA2 GLY 33 1HA GLY 33 4.532 7.389 1.359
230 HA3 GLY 33 2HA GLY 33 3.854 7.477 2.978
231 H ILE 34 H ILE 34 4.760 5.341 4.270
232 HA ILE 34 HA ILE 34 7.202 5.906 5.224
233 HB ILE 34 HB ILE 34 7.434 3.675 6.025
234 HG12 ILE 34 1HG1 ILE 34 5.363 2.789 4.009
235 HG13 ILE 34 2HG1 ILE 34 7.097 2.607 3.767
236 HG21 ILE 34 1HG2 ILE 34 4.461 3.955 5.788
237 HG22 ILE 34 2HG2 ILE 34 5.423 3.410 7.161
238 HG23 ILE 34 3HG2 ILE 34 5.412 5.116 6.715
239 HD11 ILE 34 3HD1 ILE 34 7.104 0.731 4.930
240 HD12 ILE 34 1HD1 ILE 34 6.354 1.529 6.312
241 HD13 ILE 34 2HD1 ILE 34 5.347 0.839 5.038
242 H HIS 35 H HIS 35 6.549 4.215 2.223
243 HA HIS 35 HA HIS 35 9.385 3.723 1.767
244 HB2 HIS 35 1HB HIS 35 7.081 3.118 -0.091
245 HB3 HIS 35 2HB HIS 35 8.707 2.443 -0.147
246 HD1 HIS 35 HD1 HIS 35 9.323 0.953 2.089
247 HD2 HIS 35 HD2 HIS 35 5.304 1.557 1.223
248 HE1 HIS 35 HE1 HIS 35 8.086 -0.828 3.363
249 H THR 36 H THR 36 9.797 6.084 1.770
250 HA THR 36 HA THR 36 9.324 7.212 -0.911
251 HB THR 36 HB THR 36 9.570 9.485 0.325
252 HG1 THR 36 HG1 THR 36 9.728 9.279 2.419
253 HG21 THR 36 3HG2 THR 36 7.440 9.580 -0.317
254 HG22 THR 36 1HG2 THR 36 6.975 8.744 1.165
255 HG23 THR 36 2HG2 THR 36 7.329 7.820 -0.295
256 H GLY 37 H GLY 37 11.272 6.755 -1.833
257 HA2 GLY 37 1HA GLY 37 13.662 7.804 -0.446
258 HA3 GLY 37 2HA GLY 37 13.692 6.393 -1.493
259 H GLU 38 H GLU 38 13.984 9.780 -1.312
260 HA GLU 38 HA GLU 38 14.847 9.927 -4.043
261 HB2 GLU 38 1HB GLU 38 13.221 11.828 -4.565
262 HB3 GLU 38 2HB GLU 38 12.580 10.191 -4.610
263 HG2 GLU 38 1HG GLU 38 11.353 10.472 -2.680
264 HG3 GLU 38 2HG GLU 38 12.362 11.799 -2.108
265 H LYS 39 H LYS 39 16.691 10.981 -3.728
266 HA LYS 39 HA LYS 39 16.648 13.652 -2.638
267 HB2 LYS 39 1HB LYS 39 17.914 11.363 -1.191
268 HB3 LYS 39 2HB LYS 39 18.693 12.938 -1.135
269 HG2 LYS 39 1HG LYS 39 16.621 13.912 -0.245
270 HG3 LYS 39 2HG LYS 39 15.882 12.309 -0.256
271 HD2 LYS 39 1HD LYS 39 17.904 11.613 1.187
272 HD3 LYS 39 2HD LYS 39 18.121 13.345 1.451
273 HE2 LYS 39 1HE LYS 39 16.811 12.463 3.253
274 HE3 LYS 39 2HE LYS 39 15.764 13.455 2.240
275 HZ1 LYS 39 3HZ LYS 39 14.648 11.424 2.825
276 HZ2 LYS 39 1HZ LYS 39 15.927 10.490 2.230
277 HZ3 LYS 39 2HZ LYS 39 14.982 11.406 1.167
278 HA PRO 40 HA PRO 40 19.882 14.258 -5.543
279 HB2 PRO 40 1HB PRO 40 21.303 16.248 -4.364
280 HB3 PRO 40 2HB PRO 40 19.713 16.504 -5.092
281 HG2 PRO 40 1HG PRO 40 20.438 16.115 -2.214
282 HG3 PRO 40 2HG PRO 40 19.299 17.267 -2.935
283 HD2 PRO 40 1HD PRO 40 18.493 14.968 -1.753
284 HD3 PRO 40 2HD PRO 40 17.629 15.690 -3.126
285 H SER 41 H SER 41 21.255 12.560 -5.700
286 HA SER 41 HA SER 41 23.159 12.028 -3.554
287 HB2 SER 41 1HB SER 41 23.739 10.020 -4.961
288 HB3 SER 41 2HB SER 41 22.061 10.075 -4.423
289 HG SER 41 HG SER 41 23.121 10.567 -6.988
290 H GLY 42 H GLY 42 23.194 12.652 -7.062
291 HA2 GLY 42 1HA GLY 42 25.393 14.390 -6.977
292 HA3 GLY 42 2HA GLY 42 25.991 12.776 -7.335
293 HA PRO 43 HA PRO 43 24.980 14.735 -11.376
294 HB2 PRO 43 1HB PRO 43 27.131 13.695 -12.663
295 HB3 PRO 43 2HB PRO 43 27.202 15.196 -11.733
296 HG2 PRO 43 1HG PRO 43 28.037 12.434 -10.937
297 HG3 PRO 43 2HG PRO 43 28.867 13.976 -10.661
298 HD2 PRO 43 1HD PRO 43 27.408 12.743 -8.742
299 HD3 PRO 43 2HD PRO 43 27.541 14.510 -8.853
300 H SER 44 H SER 44 24.102 13.781 -13.203
301 HA SER 44 HA SER 44 22.796 12.175 -14.197
302 HB2 SER 44 1HB SER 44 24.080 10.557 -15.332
303 HB3 SER 44 2HB SER 44 25.210 11.882 -15.051
304 HG SER 44 HG SER 44 25.528 10.487 -12.962
305 H SER 45 H SER 45 22.368 12.160 -11.454
306 HA SER 45 HA SER 45 22.688 9.804 -10.070
307 HB2 SER 45 1HB SER 45 20.541 10.417 -8.898
308 HB3 SER 45 2HB SER 45 21.736 11.712 -8.968
309 HG SER 45 HG SER 45 19.284 11.897 -9.717
310 H GLY 46 H GLY 46 22.330 7.817 -10.822
311 HA2 GLY 46 1HA GLY 46 19.972 6.563 -11.103
312 HA3 GLY 46 2HA GLY 46 20.171 7.294 -12.689
Start of MODEL 7
1 H1 GLY 1 H GLY 1 12.286 -19.144 9.116
2 HA2 GLY 1 1HA GLY 1 9.828 -19.016 7.564
3 HA3 GLY 1 2HA GLY 1 9.923 -20.325 8.733
4 H SER 2 H SER 2 9.643 -19.905 10.882
5 HA SER 2 HA SER 2 8.562 -18.786 12.582
6 HB2 SER 2 1HB SER 2 9.945 -16.963 13.487
7 HB3 SER 2 2HB SER 2 10.943 -18.324 12.975
8 HG SER 2 HG SER 2 11.929 -16.993 11.702
9 H SER 3 H SER 3 7.215 -18.293 10.216
10 HA SER 3 HA SER 3 6.532 -15.434 10.425
11 HB2 SER 3 1HB SER 3 6.077 -17.289 8.076
12 HB3 SER 3 2HB SER 3 5.715 -15.564 8.126
13 HG SER 3 HG SER 3 7.812 -15.098 8.011
14 H GLY 4 H GLY 4 4.549 -14.896 11.093
15 HA2 GLY 4 1HA GLY 4 2.173 -16.239 10.561
16 HA3 GLY 4 2HA GLY 4 2.771 -16.867 12.089
17 H SER 5 H SER 5 0.558 -14.889 10.999
18 HA SER 5 HA SER 5 0.962 -12.899 13.137
19 HB2 SER 5 1HB SER 5 1.074 -11.891 10.881
20 HB3 SER 5 2HB SER 5 -0.538 -12.516 10.534
21 HG SER 5 HG SER 5 0.182 -10.609 12.506
22 H SER 6 H SER 6 -0.222 -15.392 13.612
23 HA SER 6 HA SER 6 -2.124 -16.425 14.357
24 HB2 SER 6 1HB SER 6 -3.293 -15.200 16.047
25 HB3 SER 6 2HB SER 6 -1.619 -14.646 16.087
26 HG SER 6 HG SER 6 -3.912 -13.277 15.451
27 H GLY 7 H GLY 7 -2.372 -15.820 11.680
28 HA2 GLY 7 1HA GLY 7 -5.106 -16.054 11.230
29 HA3 GLY 7 2HA GLY 7 -4.711 -14.352 11.040
30 H THR 8 H THR 8 -5.437 -16.782 9.222
31 HA THR 8 HA THR 8 -3.284 -16.359 7.256
32 HB THR 8 HB THR 8 -4.056 -18.468 6.191
33 HG1 THR 8 HG1 THR 8 -6.030 -18.991 6.807
34 HG21 THR 8 3HG2 THR 8 -2.307 -18.233 8.142
35 HG22 THR 8 1HG2 THR 8 -2.810 -19.824 7.573
36 HG23 THR 8 2HG2 THR 8 -3.512 -19.151 9.045
37 H GLY 9 H GLY 9 -3.860 -16.093 5.039
38 HA2 GLY 9 1HA GLY 9 -5.941 -16.047 3.542
39 HA3 GLY 9 2HA GLY 9 -6.527 -14.882 4.719
40 H GLU 10 H GLU 10 -6.366 -14.205 2.066
41 HA GLU 10 HA GLU 10 -4.198 -12.218 2.110
42 HB2 GLU 10 1HB GLU 10 -3.938 -12.483 -0.328
43 HB3 GLU 10 2HB GLU 10 -3.541 -13.956 0.546
44 HG2 GLU 10 1HG GLU 10 -6.271 -13.543 -0.604
45 HG3 GLU 10 2HG GLU 10 -4.939 -14.122 -1.603
46 H LYS 11 H LYS 11 -4.721 -10.190 1.414
47 HA LYS 11 HA LYS 11 -7.552 -9.749 0.732
48 HB2 LYS 11 1HB LYS 11 -5.577 -7.971 2.167
49 HB3 LYS 11 2HB LYS 11 -7.160 -7.428 1.629
50 HG2 LYS 11 1HG LYS 11 -8.225 -9.092 3.062
51 HG3 LYS 11 2HG LYS 11 -6.637 -9.647 3.598
52 HD2 LYS 11 1HD LYS 11 -7.140 -8.205 5.300
53 HD3 LYS 11 2HD LYS 11 -6.336 -7.090 4.193
54 HE2 LYS 11 1HE LYS 11 -8.275 -5.956 4.820
55 HE3 LYS 11 2HE LYS 11 -8.681 -6.649 3.250
56 HZ1 LYS 11 3HZ LYS 11 -9.307 -8.424 5.395
57 HZ2 LYS 11 1HZ LYS 11 -10.299 -7.847 4.152
58 HZ3 LYS 11 2HZ LYS 11 -10.103 -6.940 5.566
59 HA PRO 12 HA PRO 12 -6.413 -8.064 -3.161
60 HB2 PRO 12 1HB PRO 12 -8.389 -6.235 -3.515
61 HB3 PRO 12 2HB PRO 12 -8.660 -7.978 -3.637
62 HG2 PRO 12 1HG PRO 12 -9.208 -6.131 -1.345
63 HG3 PRO 12 2HG PRO 12 -10.214 -7.440 -1.993
64 HD2 PRO 12 1HD PRO 12 -8.694 -7.734 0.229
65 HD3 PRO 12 2HD PRO 12 -9.020 -9.074 -0.890
66 H TYR 13 H TYR 13 -6.101 -6.370 -0.323
67 HA TYR 13 HA TYR 13 -4.899 -4.068 -1.715
68 HB2 TYR 13 1HB TYR 13 -6.260 -4.073 0.987
69 HB3 TYR 13 2HB TYR 13 -5.460 -2.689 0.249
70 HD1 TYR 13 HD1 TYR 13 -6.463 -1.555 -1.680
71 HD2 TYR 13 HD2 TYR 13 -8.441 -4.788 0.254
72 HE1 TYR 13 HE1 TYR 13 -8.563 -0.931 -2.797
73 HE2 TYR 13 HE2 TYR 13 -10.546 -4.174 -0.859
74 HH TYR 13 HH TYR 13 -11.334 -1.536 -1.975
75 H LYS 14 H LYS 14 -2.842 -4.965 -1.757
76 HA LYS 14 HA LYS 14 -1.552 -5.238 0.878
77 HB2 LYS 14 1HB LYS 14 -1.512 -7.424 0.057
78 HB3 LYS 14 2HB LYS 14 -1.259 -6.900 -1.602
79 HG2 LYS 14 1HG LYS 14 0.770 -7.859 -0.893
80 HG3 LYS 14 2HG LYS 14 1.024 -6.112 -0.884
81 HD2 LYS 14 1HD LYS 14 1.917 -6.650 1.153
82 HD3 LYS 14 2HD LYS 14 0.240 -6.364 1.626
83 HE2 LYS 14 1HE LYS 14 0.841 -8.385 2.666
84 HE3 LYS 14 2HE LYS 14 -0.123 -8.854 1.267
85 HZ1 LYS 14 3HZ LYS 14 1.958 -9.264 0.060
86 HZ2 LYS 14 1HZ LYS 14 1.812 -10.245 1.430
87 HZ3 LYS 14 2HZ LYS 14 2.840 -8.902 1.457
88 H CYS 15 H CYS 15 0.708 -4.651 0.956
89 HA CYS 15 HA CYS 15 1.273 -2.386 -0.787
90 HB2 CYS 15 1HB CYS 15 1.516 -2.049 1.616
91 HB3 CYS 15 2HB CYS 15 2.667 -3.378 1.708
92 H ASN 16 H ASN 16 2.432 -2.662 -2.564
93 HA ASN 16 HA ASN 16 4.068 -5.020 -2.920
94 HB2 ASN 16 1HB ASN 16 2.548 -3.731 -4.665
95 HB3 ASN 16 2HB ASN 16 4.022 -2.799 -4.916
96 HD21 ASN 16 1HD2 ASN 16 3.220 -6.223 -4.411
97 HD22 ASN 16 2HD2 ASN 16 4.135 -6.808 -5.755
98 H GLU 17 H GLU 17 5.002 -3.319 -0.874
99 HA GLU 17 HA GLU 17 7.585 -2.508 -2.024
100 HB2 GLU 17 1HB GLU 17 6.170 -1.041 0.206
101 HB3 GLU 17 2HB GLU 17 7.686 -0.588 -0.561
102 HG2 GLU 17 1HG GLU 17 5.247 -0.834 -2.245
103 HG3 GLU 17 2HG GLU 17 5.433 0.580 -1.208
104 H CYS 18 H CYS 18 5.888 -3.212 1.028
105 HA CYS 18 HA CYS 18 8.352 -4.514 1.989
106 HB2 CYS 18 1HB CYS 18 7.448 -4.077 4.288
107 HB3 CYS 18 2HB CYS 18 7.858 -2.623 3.383
108 H GLY 19 H GLY 19 4.798 -4.654 2.178
109 HA2 GLY 19 1HA GLY 19 3.864 -6.881 1.515
110 HA3 GLY 19 2HA GLY 19 5.050 -7.566 2.616
111 H LYS 20 H LYS 20 2.262 -5.376 2.501
112 HA LYS 20 HA LYS 20 1.270 -6.548 4.967
113 HB2 LYS 20 1HB LYS 20 2.256 -3.747 4.732
114 HB3 LYS 20 2HB LYS 20 0.797 -4.022 5.673
115 HG2 LYS 20 1HG LYS 20 1.901 -5.265 7.273
116 HG3 LYS 20 2HG LYS 20 3.230 -5.674 6.185
117 HD2 LYS 20 1HD LYS 20 4.095 -3.437 6.309
118 HD3 LYS 20 2HD LYS 20 2.687 -2.895 7.225
119 HE2 LYS 20 1HE LYS 20 3.341 -4.529 9.011
120 HE3 LYS 20 2HE LYS 20 4.833 -4.815 8.117
121 HZ1 LYS 20 3HZ LYS 20 5.674 -2.817 8.702
122 HZ2 LYS 20 1HZ LYS 20 4.631 -2.999 10.021
123 HZ3 LYS 20 2HZ LYS 20 4.172 -2.040 8.707
124 H VAL 21 H VAL 21 -0.892 -6.722 4.949
125 HA VAL 21 HA VAL 21 -2.331 -5.486 2.716
126 HB VAL 21 HB VAL 21 -4.133 -7.103 3.248
127 HG11 VAL 21 1HG1 VAL 21 -3.131 -8.390 1.744
128 HG12 VAL 21 2HG1 VAL 21 -1.588 -7.621 2.118
129 HG13 VAL 21 3HG1 VAL 21 -2.090 -9.067 2.995
130 HG21 VAL 21 3HG2 VAL 21 -3.605 -8.967 4.800
131 HG22 VAL 21 1HG2 VAL 21 -2.164 -8.086 5.310
132 HG23 VAL 21 2HG2 VAL 21 -3.765 -7.408 5.609
133 H PHE 22 H PHE 22 -4.503 -4.650 3.088
134 HA PHE 22 HA PHE 22 -5.053 -3.764 5.820
135 HB2 PHE 22 1HB PHE 22 -4.974 -1.868 3.463
136 HB3 PHE 22 2HB PHE 22 -5.404 -1.453 5.119
137 HD1 PHE 22 HD2 PHE 22 -2.646 -2.478 2.905
138 HD2 PHE 22 HD1 PHE 22 -3.742 -1.039 6.758
139 HE1 PHE 22 HE2 PHE 22 -0.286 -1.981 3.387
140 HE2 PHE 22 HE1 PHE 22 -1.383 -0.538 7.246
141 HZ PHE 22 HZ PHE 22 0.349 -1.010 5.560
142 H THR 23 H THR 23 -7.237 -2.545 5.841
143 HA THR 23 HA THR 23 -9.120 -4.157 4.270
144 HB THR 23 HB THR 23 -9.504 -4.356 6.627
145 HG1 THR 23 HG1 THR 23 -11.434 -4.245 5.532
146 HG21 THR 23 3HG2 THR 23 -8.363 -2.317 7.359
147 HG22 THR 23 1HG2 THR 23 -9.979 -2.423 8.055
148 HG23 THR 23 2HG2 THR 23 -9.674 -1.340 6.697
149 H GLN 24 H GLN 24 -7.985 -0.935 4.727
150 HA GLN 24 HA GLN 24 -10.083 0.049 2.908
151 HB2 GLN 24 1HB GLN 24 -9.994 0.918 5.367
152 HB3 GLN 24 2HB GLN 24 -8.627 1.865 4.797
153 HG2 GLN 24 1HG GLN 24 -10.653 3.174 4.719
154 HG3 GLN 24 2HG GLN 24 -10.047 2.884 3.089
155 HE21 GLN 24 1HE2 GLN 24 -12.521 2.104 5.412
156 HE22 GLN 24 2HE2 GLN 24 -13.637 1.409 4.290
157 H ASN 25 H ASN 25 -9.301 0.494 0.966
158 HA ASN 25 HA ASN 25 -6.749 0.410 0.082
159 HB2 ASN 25 1HB ASN 25 -8.500 0.616 -1.518
160 HB3 ASN 25 2HB ASN 25 -9.012 2.169 -0.863
161 HD21 ASN 25 1HD2 ASN 25 -7.708 4.006 -1.239
162 HD22 ASN 25 2HD2 ASN 25 -6.609 4.057 -2.571
163 H SER 26 H SER 26 -8.367 3.287 1.381
164 HA SER 26 HA SER 26 -6.379 5.165 0.957
165 HB2 SER 26 1HB SER 26 -8.667 5.649 1.834
166 HB3 SER 26 2HB SER 26 -8.163 5.007 3.398
167 HG SER 26 HG SER 26 -7.781 7.456 2.392
168 H HIS 27 H HIS 27 -6.892 3.262 3.931
169 HA HIS 27 HA HIS 27 -4.748 4.061 5.413
170 HB2 HIS 27 1HB HIS 27 -6.084 1.384 5.145
171 HB3 HIS 27 2HB HIS 27 -4.709 1.591 6.227
172 HD1 HIS 27 HD1 HIS 27 -6.382 1.041 8.196
173 HD2 HIS 27 HD2 HIS 27 -7.153 4.571 6.145
174 HE1 HIS 27 HE1 HIS 27 -7.966 2.337 9.658
175 H LEU 28 H LEU 28 -4.744 1.684 2.795
176 HA LEU 28 HA LEU 28 -2.005 0.968 3.093
177 HB2 LEU 28 1HB LEU 28 -3.443 -0.577 2.016
178 HB3 LEU 28 2HB LEU 28 -3.988 0.634 0.858
179 HG LEU 28 HG LEU 28 -1.645 0.636 -0.072
180 HD11 LEU 28 1HD1 LEU 28 -0.760 -0.496 2.068
181 HD12 LEU 28 2HD1 LEU 28 -0.101 -0.996 0.511
182 HD13 LEU 28 3HD1 LEU 28 -1.310 -1.995 1.318
183 HD21 LEU 28 3HD2 LEU 28 -2.639 -2.129 -0.377
184 HD22 LEU 28 1HD2 LEU 28 -2.248 -0.919 -1.599
185 HD23 LEU 28 2HD2 LEU 28 -3.784 -0.836 -0.737
186 H VAL 29 H VAL 29 -3.730 3.124 0.854
187 HA VAL 29 HA VAL 29 -1.617 3.939 -0.727
188 HB VAL 29 HB VAL 29 -3.935 5.627 0.226
189 HG11 VAL 29 1HG1 VAL 29 -2.593 7.227 -0.692
190 HG12 VAL 29 2HG1 VAL 29 -1.775 6.087 -1.761
191 HG13 VAL 29 3HG1 VAL 29 -3.398 6.655 -2.152
192 HG21 VAL 29 3HG2 VAL 29 -3.839 4.398 -2.473
193 HG22 VAL 29 1HG2 VAL 29 -4.193 3.343 -1.105
194 HG23 VAL 29 2HG2 VAL 29 -5.221 4.739 -1.432
195 H ARG 30 H ARG 30 -2.718 5.353 2.345
196 HA ARG 30 HA ARG 30 -0.701 7.354 2.424
197 HB2 ARG 30 1HB ARG 30 -2.965 7.217 3.698
198 HB3 ARG 30 2HB ARG 30 -2.057 6.279 4.876
199 HG2 ARG 30 1HG ARG 30 -0.563 8.120 5.268
200 HG3 ARG 30 2HG ARG 30 -1.318 9.054 3.976
201 HD2 ARG 30 1HD ARG 30 -3.334 9.282 5.195
202 HD3 ARG 30 2HD ARG 30 -2.843 8.064 6.371
203 HE ARG 30 HE ARG 30 -0.948 9.950 6.665
204 HH11 ARG 30 1HH1 ARG 30 -4.425 10.103 6.589
205 HH12 ARG 30 2HH1 ARG 30 -4.519 11.473 7.645
206 HH21 ARG 30 1HH2 ARG 30 -1.058 11.754 8.057
207 HH22 ARG 30 2HH2 ARG 30 -2.602 12.412 8.479
208 H HIS 31 H HIS 31 -0.906 4.048 3.546
209 HA HIS 31 HA HIS 31 1.219 4.007 5.352
210 HB2 HIS 31 1HB HIS 31 0.016 2.045 5.404
211 HB3 HIS 31 2HB HIS 31 -0.133 1.964 3.651
212 HD1 HIS 31 HD1 HIS 31 2.331 1.248 6.417
213 HD2 HIS 31 HD2 HIS 31 1.770 0.436 2.381
214 HE1 HIS 31 HE1 HIS 31 4.076 -0.463 5.827
215 H ARG 32 H ARG 32 1.199 3.595 1.837
216 HA ARG 32 HA ARG 32 3.849 2.865 1.450
217 HB2 ARG 32 1HB ARG 32 1.855 4.344 -0.230
218 HB3 ARG 32 2HB ARG 32 3.514 4.175 -0.789
219 HG2 ARG 32 1HG ARG 32 3.340 1.885 -1.030
220 HG3 ARG 32 2HG ARG 32 1.984 1.768 0.093
221 HD2 ARG 32 1HD ARG 32 1.201 1.414 -2.164
222 HD3 ARG 32 2HD ARG 32 0.563 2.938 -1.548
223 HE ARG 32 HE ARG 32 2.922 3.506 -2.911
224 HH11 ARG 32 1HH1 ARG 32 -0.257 2.264 -3.595
225 HH12 ARG 32 2HH1 ARG 32 -0.284 2.863 -5.221
226 HH21 ARG 32 1HH2 ARG 32 2.899 4.300 -5.050
227 HH22 ARG 32 2HH2 ARG 32 1.512 4.021 -6.047
228 H GLY 33 H GLY 33 2.622 5.769 2.678
229 HA2 GLY 33 1HA GLY 33 4.428 7.678 1.720
230 HA3 GLY 33 2HA GLY 33 3.615 7.749 3.276
231 H ILE 34 H ILE 34 4.790 5.275 4.255
232 HA ILE 34 HA ILE 34 7.089 6.322 5.482
233 HB ILE 34 HB ILE 34 7.435 4.148 6.438
234 HG12 ILE 34 1HG1 ILE 34 5.322 2.979 4.644
235 HG13 ILE 34 2HG1 ILE 34 7.015 2.995 4.160
236 HG21 ILE 34 1HG2 ILE 34 4.744 3.663 6.769
237 HG22 ILE 34 2HG2 ILE 34 5.722 4.781 7.719
238 HG23 ILE 34 3HG2 ILE 34 4.800 5.372 6.336
239 HD11 ILE 34 3HD1 ILE 34 7.042 0.991 5.156
240 HD12 ILE 34 1HD1 ILE 34 7.221 1.940 6.631
241 HD13 ILE 34 2HD1 ILE 34 5.631 1.346 6.151
242 H HIS 35 H HIS 35 6.641 4.557 2.525
243 HA HIS 35 HA HIS 35 9.422 3.850 2.238
244 HB2 HIS 35 1HB HIS 35 7.178 3.770 0.210
245 HB3 HIS 35 2HB HIS 35 8.764 3.029 0.021
246 HD1 HIS 35 HD1 HIS 35 9.010 0.691 0.854
247 HD2 HIS 35 HD2 HIS 35 5.606 2.546 2.348
248 HE1 HIS 35 HE1 HIS 35 7.750 -1.105 2.083
249 H THR 36 H THR 36 7.202 6.121 0.630
250 HA THR 36 HA THR 36 9.194 7.305 -1.002
251 HB THR 36 HB THR 36 7.491 9.191 -1.217
252 HG1 THR 36 HG1 THR 36 5.702 7.403 0.044
253 HG21 THR 36 3HG2 THR 36 7.708 7.050 -2.650
254 HG22 THR 36 1HG2 THR 36 6.224 7.995 -2.768
255 HG23 THR 36 2HG2 THR 36 6.256 6.520 -1.801
256 H GLY 37 H GLY 37 10.506 9.032 -0.687
257 HA2 GLY 37 1HA GLY 37 10.162 11.028 1.263
258 HA3 GLY 37 2HA GLY 37 11.221 9.789 1.920
259 H GLU 38 H GLU 38 10.883 11.305 -1.290
260 HA GLU 38 HA GLU 38 12.409 12.268 -2.676
261 HB2 GLU 38 1HB GLU 38 13.387 13.046 0.037
262 HB3 GLU 38 2HB GLU 38 14.403 13.387 -1.356
263 HG2 GLU 38 1HG GLU 38 11.537 14.217 -1.364
264 HG3 GLU 38 2HG GLU 38 12.736 15.176 -0.497
265 H LYS 39 H LYS 39 12.660 9.550 -2.436
266 HA LYS 39 HA LYS 39 15.508 9.210 -2.961
267 HB2 LYS 39 1HB LYS 39 13.983 7.844 -0.790
268 HB3 LYS 39 2HB LYS 39 15.193 6.916 -1.666
269 HG2 LYS 39 1HG LYS 39 16.938 8.320 -0.962
270 HG3 LYS 39 2HG LYS 39 15.818 9.574 -0.423
271 HD2 LYS 39 1HD LYS 39 15.701 6.859 0.818
272 HD3 LYS 39 2HD LYS 39 16.962 7.990 1.315
273 HE2 LYS 39 1HE LYS 39 14.089 8.834 1.233
274 HE3 LYS 39 2HE LYS 39 14.725 7.943 2.615
275 HZ1 LYS 39 3HZ LYS 39 16.461 9.689 2.797
276 HZ2 LYS 39 1HZ LYS 39 14.891 10.256 3.078
277 HZ3 LYS 39 2HZ LYS 39 15.653 10.573 1.601
278 HA PRO 40 HA PRO 40 13.923 6.882 -6.348
279 HB2 PRO 40 1HB PRO 40 16.175 5.515 -7.002
280 HB3 PRO 40 2HB PRO 40 15.962 7.236 -7.346
281 HG2 PRO 40 1HG PRO 40 17.438 5.923 -5.097
282 HG3 PRO 40 2HG PRO 40 17.916 7.314 -6.088
283 HD2 PRO 40 1HD PRO 40 16.881 7.584 -3.600
284 HD3 PRO 40 2HD PRO 40 16.609 8.781 -4.883
285 H SER 41 H SER 41 14.359 4.440 -7.180
286 HA SER 41 HA SER 41 14.152 2.609 -4.899
287 HB2 SER 41 1HB SER 41 12.157 1.570 -5.747
288 HB3 SER 41 2HB SER 41 11.852 3.305 -5.655
289 HG SER 41 HG SER 41 11.789 1.680 -7.801
290 H GLY 42 H GLY 42 15.896 1.368 -5.236
291 HA2 GLY 42 1HA GLY 42 16.888 0.724 -7.838
292 HA3 GLY 42 2HA GLY 42 17.448 0.049 -6.315
293 HA PRO 43 HA PRO 43 15.611 -3.780 -7.410
294 HB2 PRO 43 1HB PRO 43 15.168 -4.826 -4.944
295 HB3 PRO 43 2HB PRO 43 16.781 -4.690 -5.654
296 HG2 PRO 43 1HG PRO 43 15.432 -2.909 -3.662
297 HG3 PRO 43 2HG PRO 43 17.104 -3.499 -3.683
298 HD2 PRO 43 1HD PRO 43 16.428 -1.009 -4.503
299 HD3 PRO 43 2HD PRO 43 17.776 -1.916 -5.217
300 H SER 44 H SER 44 13.633 -4.884 -7.505
301 HA SER 44 HA SER 44 11.325 -3.259 -6.721
302 HB2 SER 44 1HB SER 44 11.655 -4.029 -9.120
303 HB3 SER 44 2HB SER 44 11.316 -5.663 -8.551
304 HG SER 44 HG SER 44 9.333 -4.569 -7.624
305 H SER 45 H SER 45 9.507 -4.184 -5.693
306 HA SER 45 HA SER 45 9.845 -5.611 -3.448
307 HB2 SER 45 1HB SER 45 7.465 -6.341 -3.628
308 HB3 SER 45 2HB SER 45 7.695 -4.632 -3.999
309 HG SER 45 HG SER 45 6.337 -5.743 -5.513
310 H GLY 46 H GLY 46 8.953 -7.118 -6.558
311 HA2 GLY 46 1HA GLY 46 9.292 -9.776 -5.534
312 HA3 GLY 46 2HA GLY 46 9.020 -9.331 -7.213
Start of MODEL 8
1 H1 GLY 1 H GLY 1 10.342 -19.933 -4.160
2 HA2 GLY 1 1HA GLY 1 10.291 -17.680 -2.548
3 HA3 GLY 1 2HA GLY 1 9.641 -17.178 -4.102
4 H SER 2 H SER 2 8.530 -17.696 -1.270
5 HA SER 2 HA SER 2 6.633 -18.520 -0.309
6 HB2 SER 2 1HB SER 2 5.646 -16.983 -1.968
7 HB3 SER 2 2HB SER 2 5.602 -18.292 -3.148
8 HG SER 2 HG SER 2 4.246 -18.267 -0.653
9 H SER 3 H SER 3 8.468 -20.507 -0.925
10 HA SER 3 HA SER 3 7.554 -22.664 -2.416
11 HB2 SER 3 1HB SER 3 9.021 -24.055 -0.971
12 HB3 SER 3 2HB SER 3 9.821 -22.588 -1.534
13 HG SER 3 HG SER 3 9.969 -23.189 0.806
14 H GLY 4 H GLY 4 7.162 -22.119 1.090
15 HA2 GLY 4 1HA GLY 4 5.627 -24.345 1.687
16 HA3 GLY 4 2HA GLY 4 5.524 -22.813 2.543
17 H SER 5 H SER 5 3.513 -24.900 1.575
18 HA SER 5 HA SER 5 1.819 -23.204 -0.108
19 HB2 SER 5 1HB SER 5 1.777 -26.131 0.593
20 HB3 SER 5 2HB SER 5 0.365 -25.344 -0.111
21 HG SER 5 HG SER 5 1.915 -26.343 -1.615
22 H SER 6 H SER 6 0.991 -21.700 1.292
23 HA SER 6 HA SER 6 -1.249 -22.447 2.845
24 HB2 SER 6 1HB SER 6 0.556 -23.175 4.406
25 HB3 SER 6 2HB SER 6 1.141 -21.512 4.452
26 HG SER 6 HG SER 6 -1.557 -21.930 4.999
27 H GLY 7 H GLY 7 -2.600 -20.791 2.664
28 HA2 GLY 7 1HA GLY 7 -1.468 -18.063 2.611
29 HA3 GLY 7 2HA GLY 7 -2.701 -18.567 1.465
30 H THR 8 H THR 8 -2.075 -18.196 4.936
31 HA THR 8 HA THR 8 -4.911 -18.159 5.530
32 HB THR 8 HB THR 8 -2.525 -17.700 7.331
33 HG1 THR 8 HG1 THR 8 -2.449 -19.811 7.108
34 HG21 THR 8 3HG2 THR 8 -4.943 -16.763 7.896
35 HG22 THR 8 1HG2 THR 8 -3.924 -17.502 9.131
36 HG23 THR 8 2HG2 THR 8 -5.211 -18.440 8.372
37 H GLY 9 H GLY 9 -6.099 -16.389 5.286
38 HA2 GLY 9 1HA GLY 9 -6.757 -14.188 5.343
39 HA3 GLY 9 2HA GLY 9 -5.393 -13.890 6.412
40 H GLU 10 H GLU 10 -6.619 -13.639 3.211
41 HA GLU 10 HA GLU 10 -4.232 -12.119 2.449
42 HB2 GLU 10 1HB GLU 10 -4.395 -14.573 1.506
43 HB3 GLU 10 2HB GLU 10 -5.545 -13.847 0.392
44 HG2 GLU 10 1HG GLU 10 -3.793 -12.193 -0.232
45 HG3 GLU 10 2HG GLU 10 -2.656 -13.100 0.763
46 H LYS 11 H LYS 11 -4.815 -10.144 1.872
47 HA LYS 11 HA LYS 11 -7.546 -9.708 0.873
48 HB2 LYS 11 1HB LYS 11 -5.607 -7.707 2.047
49 HB3 LYS 11 2HB LYS 11 -7.272 -7.385 1.581
50 HG2 LYS 11 1HG LYS 11 -6.472 -9.354 3.711
51 HG3 LYS 11 2HG LYS 11 -6.922 -7.676 4.024
52 HD2 LYS 11 1HD LYS 11 -9.048 -8.356 2.607
53 HD3 LYS 11 2HD LYS 11 -8.607 -9.973 3.160
54 HE2 LYS 11 1HE LYS 11 -8.788 -7.697 5.096
55 HE3 LYS 11 2HE LYS 11 -10.244 -8.545 4.576
56 HZ1 LYS 11 3HZ LYS 11 -9.735 -10.319 5.809
57 HZ2 LYS 11 1HZ LYS 11 -8.670 -9.293 6.631
58 HZ3 LYS 11 2HZ LYS 11 -8.097 -10.287 5.388
59 HA PRO 12 HA PRO 12 -6.113 -8.557 -3.115
60 HB2 PRO 12 1HB PRO 12 -7.954 -6.684 -3.801
61 HB3 PRO 12 2HB PRO 12 -8.322 -8.411 -3.731
62 HG2 PRO 12 1HG PRO 12 -8.879 -6.272 -1.712
63 HG3 PRO 12 2HG PRO 12 -9.926 -7.595 -2.258
64 HD2 PRO 12 1HD PRO 12 -8.545 -7.696 0.069
65 HD3 PRO 12 2HD PRO 12 -8.891 -9.143 -0.899
66 H TYR 13 H TYR 13 -6.241 -6.296 -0.545
67 HA TYR 13 HA TYR 13 -4.706 -4.331 -2.110
68 HB2 TYR 13 1HB TYR 13 -6.257 -3.971 0.463
69 HB3 TYR 13 2HB TYR 13 -5.313 -2.713 -0.327
70 HD1 TYR 13 HD2 TYR 13 -8.360 -4.750 -0.510
71 HD2 TYR 13 HD1 TYR 13 -6.119 -1.622 -2.327
72 HE1 TYR 13 HE2 TYR 13 -10.319 -4.142 -1.867
73 HE2 TYR 13 HE1 TYR 13 -8.073 -1.005 -3.688
74 HH TYR 13 HH TYR 13 -10.122 -1.954 -4.504
75 H LYS 14 H LYS 14 -2.607 -4.818 -1.900
76 HA LYS 14 HA LYS 14 -1.525 -5.000 0.826
77 HB2 LYS 14 1HB LYS 14 -1.691 -7.263 -0.326
78 HB3 LYS 14 2HB LYS 14 -0.481 -6.673 -1.457
79 HG2 LYS 14 1HG LYS 14 1.198 -6.726 0.091
80 HG3 LYS 14 2HG LYS 14 0.099 -6.495 1.453
81 HD2 LYS 14 1HD LYS 14 0.600 -8.702 1.748
82 HD3 LYS 14 2HD LYS 14 -0.783 -8.867 0.663
83 HE2 LYS 14 1HE LYS 14 2.074 -8.757 -0.284
84 HE3 LYS 14 2HE LYS 14 1.226 -10.261 0.074
85 HZ1 LYS 14 3HZ LYS 14 0.582 -8.276 -2.030
86 HZ2 LYS 14 1HZ LYS 14 -0.486 -9.506 -1.573
87 HZ3 LYS 14 2HZ LYS 14 1.022 -9.898 -2.231
88 H CYS 15 H CYS 15 0.803 -4.502 0.935
89 HA CYS 15 HA CYS 15 1.417 -2.270 -0.821
90 HB2 CYS 15 1HB CYS 15 1.681 -2.101 1.658
91 HB3 CYS 15 2HB CYS 15 2.970 -3.297 1.563
92 H ASN 16 H ASN 16 2.606 -2.502 -2.585
93 HA ASN 16 HA ASN 16 4.131 -4.924 -3.021
94 HB2 ASN 16 1HB ASN 16 3.587 -2.520 -4.772
95 HB3 ASN 16 2HB ASN 16 4.547 -3.906 -5.283
96 HD21 ASN 16 1HD2 ASN 16 3.026 -4.220 -6.967
97 HD22 ASN 16 2HD2 ASN 16 1.512 -4.992 -6.655
98 H GLU 17 H GLU 17 5.132 -3.315 -0.927
99 HA GLU 17 HA GLU 17 7.758 -2.613 -2.047
100 HB2 GLU 17 1HB GLU 17 6.155 -1.043 -0.029
101 HB3 GLU 17 2HB GLU 17 7.877 -0.800 -0.285
102 HG2 GLU 17 1HG GLU 17 5.662 -0.365 -2.269
103 HG3 GLU 17 2HG GLU 17 6.682 0.858 -1.513
104 H CYS 18 H CYS 18 5.925 -3.433 0.876
105 HA CYS 18 HA CYS 18 8.334 -4.790 1.899
106 HB2 CYS 18 1HB CYS 18 7.473 -4.329 4.185
107 HB3 CYS 18 2HB CYS 18 7.861 -2.864 3.289
108 H GLY 19 H GLY 19 4.775 -4.765 2.003
109 HA2 GLY 19 1HA GLY 19 3.748 -6.933 1.296
110 HA3 GLY 19 2HA GLY 19 4.880 -7.692 2.405
111 H LYS 20 H LYS 20 2.413 -5.117 2.437
112 HA LYS 20 HA LYS 20 1.311 -6.328 4.874
113 HB2 LYS 20 1HB LYS 20 2.763 -4.357 5.433
114 HB3 LYS 20 2HB LYS 20 1.665 -3.351 4.497
115 HG2 LYS 20 1HG LYS 20 -0.161 -3.922 6.005
116 HG3 LYS 20 2HG LYS 20 0.925 -4.955 6.937
117 HD2 LYS 20 1HD LYS 20 2.226 -3.092 7.640
118 HD3 LYS 20 2HD LYS 20 1.417 -2.016 6.499
119 HE2 LYS 20 1HE LYS 20 -0.614 -2.105 7.729
120 HE3 LYS 20 2HE LYS 20 -0.023 -3.427 8.734
121 HZ1 LYS 20 3HZ LYS 20 0.785 -1.954 10.153
122 HZ2 LYS 20 1HZ LYS 20 0.180 -0.687 9.210
123 HZ3 LYS 20 2HZ LYS 20 1.749 -1.261 8.949
124 H VAL 21 H VAL 21 -0.860 -6.465 4.916
125 HA VAL 21 HA VAL 21 -2.317 -5.312 2.640
126 HB VAL 21 HB VAL 21 -4.031 -6.977 3.037
127 HG11 VAL 21 1HG1 VAL 21 -1.292 -7.603 2.416
128 HG12 VAL 21 2HG1 VAL 21 -2.099 -8.993 3.143
129 HG13 VAL 21 3HG1 VAL 21 -2.775 -8.234 1.702
130 HG21 VAL 21 3HG2 VAL 21 -3.456 -6.940 5.601
131 HG22 VAL 21 1HG2 VAL 21 -4.157 -8.375 4.853
132 HG23 VAL 21 2HG2 VAL 21 -2.423 -8.302 5.169
133 H PHE 22 H PHE 22 -4.407 -4.382 2.974
134 HA PHE 22 HA PHE 22 -4.979 -3.524 5.722
135 HB2 PHE 22 1HB PHE 22 -4.938 -1.693 3.313
136 HB3 PHE 22 2HB PHE 22 -5.437 -1.237 4.938
137 HD1 PHE 22 HD2 PHE 22 -2.548 -2.424 2.948
138 HD2 PHE 22 HD1 PHE 22 -3.872 -0.525 6.520
139 HE1 PHE 22 HE2 PHE 22 -0.223 -1.829 3.490
140 HE2 PHE 22 HE1 PHE 22 -1.549 0.073 7.067
141 HZ PHE 22 HZ PHE 22 0.279 -0.580 5.552
142 H THR 23 H THR 23 -7.175 -2.855 6.079
143 HA THR 23 HA THR 23 -9.049 -4.457 4.619
144 HB THR 23 HB THR 23 -9.391 -4.237 6.985
145 HG1 THR 23 HG1 THR 23 -11.562 -2.927 6.753
146 HG21 THR 23 3HG2 THR 23 -9.244 -1.308 6.402
147 HG22 THR 23 1HG2 THR 23 -8.455 -2.237 7.676
148 HG23 THR 23 2HG2 THR 23 -10.178 -1.875 7.786
149 H GLN 24 H GLN 24 -8.151 -1.081 4.682
150 HA GLN 24 HA GLN 24 -10.178 -0.550 2.611
151 HB2 GLN 24 1HB GLN 24 -9.202 1.136 4.886
152 HB3 GLN 24 2HB GLN 24 -9.795 1.910 3.422
153 HG2 GLN 24 1HG GLN 24 -11.951 0.996 3.693
154 HG3 GLN 24 2HG GLN 24 -11.398 -0.128 4.933
155 HE21 GLN 24 1HE2 GLN 24 -12.855 0.566 6.461
156 HE22 GLN 24 2HE2 GLN 24 -12.747 2.110 7.228
157 H ASN 25 H ASN 25 -9.548 1.296 1.145
158 HA ASN 25 HA ASN 25 -6.915 0.757 0.097
159 HB2 ASN 25 1HB ASN 25 -8.420 0.993 -1.641
160 HB3 ASN 25 2HB ASN 25 -9.315 2.277 -0.833
161 HD21 ASN 25 1HD2 ASN 25 -6.879 1.510 -3.063
162 HD22 ASN 25 2HD2 ASN 25 -6.361 3.121 -3.414
163 H SER 26 H SER 26 -8.640 3.654 1.246
164 HA SER 26 HA SER 26 -6.674 5.541 0.987
165 HB2 SER 26 1HB SER 26 -7.711 6.664 2.983
166 HB3 SER 26 2HB SER 26 -8.868 6.175 1.746
167 HG SER 26 HG SER 26 -8.823 4.128 3.230
168 H HIS 27 H HIS 27 -7.067 3.199 3.611
169 HA HIS 27 HA HIS 27 -5.065 4.111 5.316
170 HB2 HIS 27 1HB HIS 27 -6.178 1.360 4.801
171 HB3 HIS 27 2HB HIS 27 -4.928 1.641 6.010
172 HD1 HIS 27 HD1 HIS 27 -6.680 0.851 7.812
173 HD2 HIS 27 HD2 HIS 27 -7.658 4.363 5.818
174 HE1 HIS 27 HE1 HIS 27 -8.508 1.912 9.175
175 H LEU 28 H LEU 28 -4.832 1.630 2.768
176 HA LEU 28 HA LEU 28 -2.098 1.121 3.028
177 HB2 LEU 28 1HB LEU 28 -3.422 -0.382 1.770
178 HB3 LEU 28 2HB LEU 28 -3.976 0.897 0.692
179 HG LEU 28 HG LEU 28 -1.678 1.058 -0.225
180 HD11 LEU 28 1HD1 LEU 28 0.068 -0.051 0.611
181 HD12 LEU 28 2HD1 LEU 28 -0.850 -1.545 0.788
182 HD13 LEU 28 3HD1 LEU 28 -0.938 -0.304 2.037
183 HD21 LEU 28 3HD2 LEU 28 -3.166 -1.548 -0.359
184 HD22 LEU 28 1HD2 LEU 28 -1.745 -1.223 -1.352
185 HD23 LEU 28 2HD2 LEU 28 -3.180 -0.211 -1.510
186 H VAL 29 H VAL 29 -3.773 3.325 0.787
187 HA VAL 29 HA VAL 29 -1.688 4.344 -0.638
188 HB VAL 29 HB VAL 29 -3.984 5.944 0.502
189 HG11 VAL 29 1HG1 VAL 29 -2.702 6.655 -2.071
190 HG12 VAL 29 2HG1 VAL 29 -3.436 7.689 -0.844
191 HG13 VAL 29 3HG1 VAL 29 -1.815 7.039 -0.597
192 HG21 VAL 29 3HG2 VAL 29 -4.960 4.218 -0.729
193 HG22 VAL 29 1HG2 VAL 29 -4.860 5.549 -1.882
194 HG23 VAL 29 2HG2 VAL 29 -3.683 4.236 -1.946
195 H ARG 30 H ARG 30 -2.614 5.197 2.660
196 HA ARG 30 HA ARG 30 -0.674 7.286 2.911
197 HB2 ARG 30 1HB ARG 30 -2.514 5.859 4.796
198 HB3 ARG 30 2HB ARG 30 -1.226 6.871 5.438
199 HG2 ARG 30 1HG ARG 30 -2.105 8.800 4.306
200 HG3 ARG 30 2HG ARG 30 -3.318 7.812 3.489
201 HD2 ARG 30 1HD ARG 30 -3.986 7.163 5.940
202 HD3 ARG 30 2HD ARG 30 -3.171 8.675 6.341
203 HE ARG 30 HE ARG 30 -4.941 9.196 4.255
204 HH11 ARG 30 1HH1 ARG 30 -5.042 8.207 7.592
205 HH12 ARG 30 2HH1 ARG 30 -6.590 8.923 7.893
206 HH21 ARG 30 1HH2 ARG 30 -6.981 10.143 4.639
207 HH22 ARG 30 2HH2 ARG 30 -7.693 10.023 6.212
208 H HIS 31 H HIS 31 -0.835 3.881 3.831
209 HA HIS 31 HA HIS 31 1.381 3.636 5.435
210 HB2 HIS 31 1HB HIS 31 0.048 1.711 5.139
211 HB3 HIS 31 2HB HIS 31 0.207 1.767 3.386
212 HD1 HIS 31 HD1 HIS 31 2.227 0.942 6.473
213 HD2 HIS 31 HD2 HIS 31 2.304 0.329 2.364
214 HE1 HIS 31 HE1 HIS 31 4.095 -0.693 6.072
215 H ARG 32 H ARG 32 1.322 3.349 1.882
216 HA ARG 32 HA ARG 32 3.951 2.876 1.350
217 HB2 ARG 32 1HB ARG 32 1.841 4.427 -0.081
218 HB3 ARG 32 2HB ARG 32 3.492 4.517 -0.680
219 HG2 ARG 32 1HG ARG 32 2.751 2.762 -1.909
220 HG3 ARG 32 2HG ARG 32 3.319 1.885 -0.487
221 HD2 ARG 32 1HD ARG 32 1.242 0.967 -0.681
222 HD3 ARG 32 2HD ARG 32 0.848 2.353 0.335
223 HE ARG 32 HE ARG 32 -0.282 3.307 -1.436
224 HH11 ARG 32 1HH1 ARG 32 1.486 0.506 -2.508
225 HH12 ARG 32 2HH1 ARG 32 0.711 0.447 -4.056
226 HH21 ARG 32 1HH2 ARG 32 -1.311 3.240 -3.471
227 HH22 ARG 32 2HH2 ARG 32 -0.880 2.003 -4.603
228 H GLY 33 H GLY 33 2.601 5.726 2.730
229 HA2 GLY 33 1HA GLY 33 4.383 7.714 2.036
230 HA3 GLY 33 2HA GLY 33 3.605 7.598 3.607
231 H ILE 34 H ILE 34 4.853 5.067 4.296
232 HA ILE 34 HA ILE 34 7.219 6.075 5.492
233 HB ILE 34 HB ILE 34 7.550 3.870 6.392
234 HG12 ILE 34 1HG1 ILE 34 5.284 2.813 4.719
235 HG13 ILE 34 2HG1 ILE 34 6.942 2.773 4.127
236 HG21 ILE 34 1HG2 ILE 34 5.937 4.454 7.805
237 HG22 ILE 34 2HG2 ILE 34 5.027 5.254 6.524
238 HG23 ILE 34 3HG2 ILE 34 4.814 3.527 6.810
239 HD11 ILE 34 3HD1 ILE 34 7.227 0.865 5.198
240 HD12 ILE 34 1HD1 ILE 34 7.002 1.715 6.726
241 HD13 ILE 34 2HD1 ILE 34 5.618 0.985 5.911
242 H HIS 35 H HIS 35 6.569 4.524 2.486
243 HA HIS 35 HA HIS 35 9.343 3.752 2.069
244 HB2 HIS 35 1HB HIS 35 6.916 3.522 0.278
245 HB3 HIS 35 2HB HIS 35 8.519 2.914 -0.124
246 HD1 HIS 35 HD1 HIS 35 9.225 0.698 0.897
247 HD2 HIS 35 HD2 HIS 35 5.578 2.076 2.334
248 HE1 HIS 35 HE1 HIS 35 8.245 -1.220 2.194
249 H THR 36 H THR 36 9.565 6.292 2.450
250 HA THR 36 HA THR 36 9.932 7.431 -0.231
251 HB THR 36 HB THR 36 9.267 9.668 0.624
252 HG1 THR 36 HG1 THR 36 9.430 9.445 2.826
253 HG21 THR 36 3HG2 THR 36 7.022 9.377 0.173
254 HG22 THR 36 1HG2 THR 36 6.926 7.867 1.078
255 HG23 THR 36 2HG2 THR 36 7.700 7.897 -0.506
256 H GLY 37 H GLY 37 11.809 8.539 -0.525
257 HA2 GLY 37 1HA GLY 37 13.666 9.835 0.223
258 HA3 GLY 37 2HA GLY 37 13.433 9.181 1.837
259 H GLU 38 H GLU 38 13.394 6.506 1.460
260 HA GLU 38 HA GLU 38 16.118 5.870 1.193
261 HB2 GLU 38 1HB GLU 38 14.274 4.607 2.464
262 HB3 GLU 38 2HB GLU 38 13.896 3.859 0.919
263 HG2 GLU 38 1HG GLU 38 15.931 2.740 0.820
264 HG3 GLU 38 2HG GLU 38 16.678 3.796 2.017
265 H LYS 39 H LYS 39 13.867 6.527 -1.173
266 HA LYS 39 HA LYS 39 13.712 6.134 -3.418
267 HB2 LYS 39 1HB LYS 39 16.673 6.255 -2.909
268 HB3 LYS 39 2HB LYS 39 16.041 6.033 -4.535
269 HG2 LYS 39 1HG LYS 39 14.820 8.130 -4.364
270 HG3 LYS 39 2HG LYS 39 15.411 8.349 -2.716
271 HD2 LYS 39 1HD LYS 39 17.566 8.805 -3.409
272 HD3 LYS 39 2HD LYS 39 17.365 7.949 -4.940
273 HE2 LYS 39 1HE LYS 39 17.364 10.170 -5.597
274 HE3 LYS 39 2HE LYS 39 15.643 9.806 -5.473
275 HZ1 LYS 39 3HZ LYS 39 16.917 10.824 -3.066
276 HZ2 LYS 39 1HZ LYS 39 15.391 11.165 -3.712
277 HZ3 LYS 39 2HZ LYS 39 16.764 11.923 -4.343
278 HA PRO 40 HA PRO 40 14.547 1.521 -2.803
279 HB2 PRO 40 1HB PRO 40 11.953 0.751 -2.573
280 HB3 PRO 40 2HB PRO 40 12.945 1.214 -1.185
281 HG2 PRO 40 1HG PRO 40 10.925 2.829 -2.693
282 HG3 PRO 40 2HG PRO 40 11.182 2.712 -0.942
283 HD2 PRO 40 1HD PRO 40 12.104 4.789 -2.415
284 HD3 PRO 40 2HD PRO 40 12.954 4.186 -0.977
285 H SER 41 H SER 41 14.491 0.115 -4.492
286 HA SER 41 HA SER 41 12.857 0.877 -6.824
287 HB2 SER 41 1HB SER 41 14.711 -0.136 -8.211
288 HB3 SER 41 2HB SER 41 15.141 1.354 -7.371
289 HG SER 41 HG SER 41 15.959 -0.143 -5.675
290 H GLY 42 H GLY 42 14.508 -1.830 -5.211
291 HA2 GLY 42 1HA GLY 42 12.643 -3.683 -6.535
292 HA3 GLY 42 2HA GLY 42 14.170 -4.133 -5.790
293 HA PRO 43 HA PRO 43 10.359 -4.327 -2.833
294 HB2 PRO 43 1HB PRO 43 9.348 -6.786 -3.384
295 HB3 PRO 43 2HB PRO 43 8.767 -5.311 -4.165
296 HG2 PRO 43 1HG PRO 43 10.697 -7.360 -5.184
297 HG3 PRO 43 2HG PRO 43 9.369 -6.552 -6.038
298 HD2 PRO 43 1HD PRO 43 11.954 -5.793 -6.312
299 HD3 PRO 43 2HD PRO 43 10.605 -4.643 -6.412
300 H SER 44 H SER 44 11.258 -4.769 -0.928
301 HA SER 44 HA SER 44 13.465 -6.232 -0.355
302 HB2 SER 44 1HB SER 44 12.304 -4.811 1.290
303 HB3 SER 44 2HB SER 44 11.021 -6.014 1.421
304 HG SER 44 HG SER 44 12.323 -6.572 3.039
305 H SER 45 H SER 45 13.958 -8.250 -0.882
306 HA SER 45 HA SER 45 12.110 -10.263 -1.511
307 HB2 SER 45 1HB SER 45 14.058 -11.796 -1.437
308 HB3 SER 45 2HB SER 45 14.403 -10.323 -2.342
309 HG SER 45 HG SER 45 15.251 -9.563 -0.195
310 H GLY 46 H GLY 46 11.439 -12.111 -0.401
311 HA2 GLY 46 1HA GLY 46 11.444 -13.537 1.536
312 HA3 GLY 46 2HA GLY 46 11.991 -12.167 2.491
Start of MODEL 9
1 H1 GLY 1 H GLY 1 5.839 -29.156 0.127
2 HA2 GLY 1 1HA GLY 1 4.652 -29.983 2.370
3 HA3 GLY 1 2HA GLY 1 6.200 -29.441 3.000
4 H SER 2 H SER 2 5.044 -27.877 4.250
5 HA SER 2 HA SER 2 4.376 -25.486 2.677
6 HB2 SER 2 1HB SER 2 2.549 -24.994 4.320
7 HB3 SER 2 2HB SER 2 2.246 -26.420 3.329
8 HG SER 2 HG SER 2 3.403 -27.463 5.298
9 H SER 3 H SER 3 6.418 -24.638 3.171
10 HA SER 3 HA SER 3 7.162 -24.288 5.957
11 HB2 SER 3 1HB SER 3 9.240 -23.358 5.091
12 HB3 SER 3 2HB SER 3 8.874 -24.867 4.255
13 HG SER 3 HG SER 3 8.054 -23.618 2.525
14 H GLY 4 H GLY 4 6.121 -22.728 7.027
15 HA2 GLY 4 1HA GLY 4 5.184 -20.690 7.529
16 HA3 GLY 4 2HA GLY 4 6.519 -20.033 6.595
17 H SER 5 H SER 5 3.321 -21.532 6.148
18 HA SER 5 HA SER 5 2.988 -20.006 3.673
19 HB2 SER 5 1HB SER 5 1.560 -22.368 4.871
20 HB3 SER 5 2HB SER 5 0.820 -21.429 3.575
21 HG SER 5 HG SER 5 2.466 -21.990 2.225
22 H SER 6 H SER 6 1.181 -18.673 3.307
23 HA SER 6 HA SER 6 0.508 -16.885 5.275
24 HB2 SER 6 1HB SER 6 0.093 -16.466 2.897
25 HB3 SER 6 2HB SER 6 -1.182 -17.685 2.892
26 HG SER 6 HG SER 6 -1.162 -15.123 4.024
27 H GLY 7 H GLY 7 -0.331 -17.378 7.202
28 HA2 GLY 7 1HA GLY 7 -2.565 -19.301 7.305
29 HA3 GLY 7 2HA GLY 7 -1.493 -18.931 8.648
30 H THR 8 H THR 8 -3.135 -16.680 6.464
31 HA THR 8 HA THR 8 -5.063 -15.943 8.489
32 HB THR 8 HB THR 8 -3.113 -14.643 9.209
33 HG1 THR 8 HG1 THR 8 -4.576 -13.199 9.674
34 HG21 THR 8 3HG2 THR 8 -3.237 -13.369 6.473
35 HG22 THR 8 1HG2 THR 8 -1.991 -14.492 7.017
36 HG23 THR 8 2HG2 THR 8 -2.155 -12.915 7.790
37 H GLY 9 H GLY 9 -6.610 -14.327 7.711
38 HA2 GLY 9 1HA GLY 9 -7.672 -14.867 5.244
39 HA3 GLY 9 2HA GLY 9 -7.943 -13.358 6.103
40 H GLU 10 H GLU 10 -7.536 -14.076 3.191
41 HA GLU 10 HA GLU 10 -5.133 -12.516 2.593
42 HB2 GLU 10 1HB GLU 10 -5.622 -14.724 1.446
43 HB3 GLU 10 2HB GLU 10 -6.947 -13.910 0.626
44 HG2 GLU 10 1HG GLU 10 -5.237 -12.250 -0.212
45 HG3 GLU 10 2HG GLU 10 -4.007 -13.363 0.385
46 H LYS 11 H LYS 11 -5.236 -10.447 2.035
47 HA LYS 11 HA LYS 11 -7.867 -9.286 1.447
48 HB2 LYS 11 1HB LYS 11 -5.334 -8.204 2.618
49 HB3 LYS 11 2HB LYS 11 -6.454 -7.103 1.826
50 HG2 LYS 11 1HG LYS 11 -7.136 -6.978 4.015
51 HG3 LYS 11 2HG LYS 11 -8.224 -8.211 3.373
52 HD2 LYS 11 1HD LYS 11 -7.043 -9.950 4.405
53 HD3 LYS 11 2HD LYS 11 -5.616 -8.945 4.668
54 HE2 LYS 11 1HE LYS 11 -8.195 -8.177 5.954
55 HE3 LYS 11 2HE LYS 11 -7.257 -9.502 6.640
56 HZ1 LYS 11 3HZ LYS 11 -6.225 -7.862 7.735
57 HZ2 LYS 11 1HZ LYS 11 -6.719 -6.662 6.649
58 HZ3 LYS 11 2HZ LYS 11 -5.377 -7.626 6.290
59 HA PRO 12 HA PRO 12 -6.798 -8.614 -2.769
60 HB2 PRO 12 1HB PRO 12 -8.463 -6.539 -3.314
61 HB3 PRO 12 2HB PRO 12 -9.032 -8.201 -3.115
62 HG2 PRO 12 1HG PRO 12 -9.052 -5.942 -1.150
63 HG3 PRO 12 2HG PRO 12 -10.318 -7.134 -1.498
64 HD2 PRO 12 1HD PRO 12 -8.674 -7.338 0.644
65 HD3 PRO 12 2HD PRO 12 -9.320 -8.759 -0.202
66 H TYR 13 H TYR 13 -6.201 -6.362 -0.298
67 HA TYR 13 HA TYR 13 -4.678 -4.638 -2.140
68 HB2 TYR 13 1HB TYR 13 -5.954 -4.024 0.527
69 HB3 TYR 13 2HB TYR 13 -4.796 -2.950 -0.250
70 HD1 TYR 13 HD2 TYR 13 -8.195 -4.306 -0.373
71 HD2 TYR 13 HD1 TYR 13 -5.400 -1.699 -2.242
72 HE1 TYR 13 HE2 TYR 13 -10.021 -3.284 -1.666
73 HE2 TYR 13 HE1 TYR 13 -7.218 -0.669 -3.539
74 HH TYR 13 HH TYR 13 -9.406 -1.015 -4.239
75 H LYS 14 H LYS 14 -2.534 -4.580 -1.946
76 HA LYS 14 HA LYS 14 -1.265 -5.304 0.577
77 HB2 LYS 14 1HB LYS 14 -1.469 -7.414 -0.707
78 HB3 LYS 14 2HB LYS 14 -0.570 -6.676 -2.027
79 HG2 LYS 14 1HG LYS 14 1.423 -6.722 -0.878
80 HG3 LYS 14 2HG LYS 14 0.634 -6.770 0.701
81 HD2 LYS 14 1HD LYS 14 0.281 -9.030 0.608
82 HD3 LYS 14 2HD LYS 14 0.202 -9.054 -1.155
83 HE2 LYS 14 1HE LYS 14 2.730 -8.566 0.410
84 HE3 LYS 14 2HE LYS 14 2.229 -10.152 -0.175
85 HZ1 LYS 14 3HZ LYS 14 3.818 -8.638 -1.573
86 HZ2 LYS 14 1HZ LYS 14 2.367 -7.941 -2.093
87 HZ3 LYS 14 2HZ LYS 14 2.645 -9.592 -2.331
88 H CYS 15 H CYS 15 0.749 -4.392 0.879
89 HA CYS 15 HA CYS 15 1.362 -2.147 -0.817
90 HB2 CYS 15 1HB CYS 15 1.539 -2.045 1.664
91 HB3 CYS 15 2HB CYS 15 2.873 -3.192 1.586
92 H ASN 16 H ASN 16 2.625 -2.230 -2.542
93 HA ASN 16 HA ASN 16 4.295 -4.545 -3.027
94 HB2 ASN 16 1HB ASN 16 2.811 -3.164 -4.723
95 HB3 ASN 16 2HB ASN 16 4.263 -2.175 -4.850
96 HD21 ASN 16 1HD2 ASN 16 5.261 -2.686 -6.655
97 HD22 ASN 16 2HD2 ASN 16 5.571 -4.287 -7.228
98 H GLU 17 H GLU 17 5.094 -2.884 -0.839
99 HA GLU 17 HA GLU 17 7.722 -2.011 -1.837
100 HB2 GLU 17 1HB GLU 17 6.184 -0.681 0.399
101 HB3 GLU 17 2HB GLU 17 7.738 -0.179 -0.253
102 HG2 GLU 17 1HG GLU 17 5.431 -0.347 -2.112
103 HG3 GLU 17 2HG GLU 17 5.484 0.988 -0.962
104 H CYS 18 H CYS 18 5.873 -3.036 1.018
105 HA CYS 18 HA CYS 18 8.334 -4.289 2.051
106 HB2 CYS 18 1HB CYS 18 7.343 -4.027 4.317
107 HB3 CYS 18 2HB CYS 18 7.650 -2.489 3.518
108 H GLY 19 H GLY 19 4.811 -4.574 1.790
109 HA2 GLY 19 1HA GLY 19 3.986 -6.759 0.997
110 HA3 GLY 19 2HA GLY 19 5.133 -7.495 2.106
111 H LYS 20 H LYS 20 2.783 -4.852 2.508
112 HA LYS 20 HA LYS 20 1.526 -6.431 4.654
113 HB2 LYS 20 1HB LYS 20 2.994 -4.328 5.251
114 HB3 LYS 20 2HB LYS 20 1.558 -3.441 4.756
115 HG2 LYS 20 1HG LYS 20 0.246 -4.754 6.403
116 HG3 LYS 20 2HG LYS 20 1.754 -5.485 6.956
117 HD2 LYS 20 1HD LYS 20 2.516 -2.991 7.207
118 HD3 LYS 20 2HD LYS 20 0.780 -2.678 7.252
119 HE2 LYS 20 1HE LYS 20 0.493 -3.800 9.237
120 HE3 LYS 20 2HE LYS 20 1.899 -4.832 8.981
121 HZ1 LYS 20 3HZ LYS 20 1.785 -2.603 10.565
122 HZ2 LYS 20 1HZ LYS 20 2.628 -2.084 9.193
123 HZ3 LYS 20 2HZ LYS 20 3.187 -3.414 10.076
124 H VAL 21 H VAL 21 -0.639 -6.608 4.594
125 HA VAL 21 HA VAL 21 -2.043 -5.195 2.435
126 HB VAL 21 HB VAL 21 -3.757 -6.920 2.598
127 HG11 VAL 21 1HG1 VAL 21 -2.560 -8.127 1.171
128 HG12 VAL 21 2HG1 VAL 21 -1.110 -7.289 1.725
129 HG13 VAL 21 3HG1 VAL 21 -1.602 -8.801 2.489
130 HG21 VAL 21 3HG2 VAL 21 -3.814 -7.497 4.875
131 HG22 VAL 21 1HG2 VAL 21 -3.212 -8.940 4.058
132 HG23 VAL 21 2HG2 VAL 21 -2.092 -7.877 4.909
133 H PHE 22 H PHE 22 -4.115 -4.285 2.806
134 HA PHE 22 HA PHE 22 -4.800 -3.804 5.623
135 HB2 PHE 22 1HB PHE 22 -4.765 -1.686 3.462
136 HB3 PHE 22 2HB PHE 22 -5.254 -1.450 5.137
137 HD1 PHE 22 HD2 PHE 22 -2.338 -2.651 3.149
138 HD2 PHE 22 HD1 PHE 22 -3.715 -0.612 6.622
139 HE1 PHE 22 HE2 PHE 22 -0.014 -2.103 3.744
140 HE2 PHE 22 HE1 PHE 22 -1.394 -0.059 7.222
141 HZ PHE 22 HZ PHE 22 0.460 -0.806 5.783
142 H THR 23 H THR 23 -7.032 -2.606 5.680
143 HA THR 23 HA THR 23 -8.866 -4.299 4.191
144 HB THR 23 HB THR 23 -10.617 -3.218 5.632
145 HG1 THR 23 HG1 THR 23 -10.072 -1.594 6.880
146 HG21 THR 23 3HG2 THR 23 -9.272 -4.130 7.830
147 HG22 THR 23 1HG2 THR 23 -8.403 -4.922 6.517
148 HG23 THR 23 2HG2 THR 23 -10.144 -5.148 6.685
149 H GLN 24 H GLN 24 -8.357 -0.817 4.730
150 HA GLN 24 HA GLN 24 -10.050 -0.264 2.395
151 HB2 GLN 24 1HB GLN 24 -9.254 1.350 4.792
152 HB3 GLN 24 2HB GLN 24 -9.780 2.160 3.323
153 HG2 GLN 24 1HG GLN 24 -11.411 0.049 4.703
154 HG3 GLN 24 2HG GLN 24 -11.547 1.769 5.067
155 HE21 GLN 24 1HE2 GLN 24 -13.402 2.422 4.234
156 HE22 GLN 24 2HE2 GLN 24 -13.945 2.127 2.620
157 H ASN 25 H ASN 25 -9.290 0.823 0.632
158 HA ASN 25 HA ASN 25 -6.627 0.597 -0.090
159 HB2 ASN 25 1HB ASN 25 -8.112 0.891 -1.870
160 HB3 ASN 25 2HB ASN 25 -8.886 2.285 -1.121
161 HD21 ASN 25 1HD2 ASN 25 -5.825 1.200 -2.512
162 HD22 ASN 25 2HD2 ASN 25 -5.374 2.736 -3.162
163 H SER 26 H SER 26 -8.344 3.440 1.167
164 HA SER 26 HA SER 26 -6.366 5.339 1.004
165 HB2 SER 26 1HB SER 26 -8.616 5.876 1.772
166 HB3 SER 26 2HB SER 26 -8.364 4.940 3.245
167 HG SER 26 HG SER 26 -7.900 6.960 3.863
168 H HIS 27 H HIS 27 -6.956 3.180 3.781
169 HA HIS 27 HA HIS 27 -4.835 3.949 5.373
170 HB2 HIS 27 1HB HIS 27 -6.051 1.201 5.031
171 HB3 HIS 27 2HB HIS 27 -4.950 1.641 6.333
172 HD1 HIS 27 HD1 HIS 27 -7.896 0.695 6.804
173 HD2 HIS 27 HD2 HIS 27 -6.631 4.651 6.699
174 HE1 HIS 27 HE1 HIS 27 -9.614 1.986 8.111
175 H LEU 28 H LEU 28 -4.876 1.506 2.800
176 HA LEU 28 HA LEU 28 -2.210 0.656 3.110
177 HB2 LEU 28 1HB LEU 28 -3.696 -0.711 1.875
178 HB3 LEU 28 2HB LEU 28 -4.104 0.605 0.777
179 HG LEU 28 HG LEU 28 -1.801 0.496 -0.135
180 HD11 LEU 28 1HD1 LEU 28 -0.238 -1.051 0.521
181 HD12 LEU 28 2HD1 LEU 28 -1.443 -2.146 1.197
182 HD13 LEU 28 3HD1 LEU 28 -1.004 -0.675 2.064
183 HD21 LEU 28 3HD2 LEU 28 -2.532 -0.937 -1.682
184 HD22 LEU 28 1HD2 LEU 28 -3.966 -1.119 -0.670
185 HD23 LEU 28 2HD2 LEU 28 -2.633 -2.265 -0.525
186 H VAL 29 H VAL 29 -3.667 3.135 1.036
187 HA VAL 29 HA VAL 29 -1.360 3.856 -0.379
188 HB VAL 29 HB VAL 29 -3.717 5.585 0.385
189 HG11 VAL 29 1HG1 VAL 29 -2.332 6.244 -2.080
190 HG12 VAL 29 2HG1 VAL 29 -2.822 7.288 -0.744
191 HG13 VAL 29 3HG1 VAL 29 -1.296 6.407 -0.662
192 HG21 VAL 29 3HG2 VAL 29 -3.851 3.363 -1.092
193 HG22 VAL 29 1HG2 VAL 29 -4.837 4.788 -1.421
194 HG23 VAL 29 2HG2 VAL 29 -3.364 4.502 -2.348
195 H ARG 30 H ARG 30 -2.806 5.441 2.474
196 HA ARG 30 HA ARG 30 -0.844 7.348 2.898
197 HB2 ARG 30 1HB ARG 30 -1.739 7.637 5.059
198 HB3 ARG 30 2HB ARG 30 -3.089 7.085 4.077
199 HG2 ARG 30 1HG ARG 30 -3.124 4.992 5.067
200 HG3 ARG 30 2HG ARG 30 -1.461 5.128 5.641
201 HD2 ARG 30 1HD ARG 30 -2.298 7.026 7.117
202 HD3 ARG 30 2HD ARG 30 -3.924 6.479 6.710
203 HE ARG 30 HE ARG 30 -2.766 4.220 7.585
204 HH11 ARG 30 1HH1 ARG 30 -2.914 7.436 8.910
205 HH12 ARG 30 2HH1 ARG 30 -2.844 6.902 10.557
206 HH21 ARG 30 1HH2 ARG 30 -2.673 3.504 9.749
207 HH22 ARG 30 2HH2 ARG 30 -2.706 4.665 11.033
208 H HIS 31 H HIS 31 -0.890 3.953 3.766
209 HA HIS 31 HA HIS 31 1.309 3.985 5.539
210 HB2 HIS 31 1HB HIS 31 0.083 2.035 5.720
211 HB3 HIS 31 2HB HIS 31 -0.126 1.880 3.978
212 HD1 HIS 31 HD1 HIS 31 2.167 0.980 6.764
213 HD2 HIS 31 HD2 HIS 31 2.003 0.608 2.629
214 HE1 HIS 31 HE1 HIS 31 3.964 -0.675 6.166
215 H ARG 32 H ARG 32 1.070 3.363 2.054
216 HA ARG 32 HA ARG 32 3.644 2.613 1.479
217 HB2 ARG 32 1HB ARG 32 1.982 4.507 -0.189
218 HB3 ARG 32 2HB ARG 32 3.290 3.479 -0.760
219 HG2 ARG 32 1HG ARG 32 1.820 1.545 0.156
220 HG3 ARG 32 2HG ARG 32 0.521 2.735 0.064
221 HD2 ARG 32 1HD ARG 32 2.262 1.724 -2.175
222 HD3 ARG 32 2HD ARG 32 0.522 1.513 -1.982
223 HE ARG 32 HE ARG 32 1.276 4.265 -2.118
224 HH11 ARG 32 1HH1 ARG 32 0.632 1.423 -4.023
225 HH12 ARG 32 2HH1 ARG 32 0.183 2.315 -5.439
226 HH21 ARG 32 1HH2 ARG 32 0.687 5.450 -3.975
227 HH22 ARG 32 2HH2 ARG 32 0.215 4.606 -5.411
228 H GLY 33 H GLY 33 2.566 5.636 2.669
229 HA2 GLY 33 1HA GLY 33 4.467 7.405 1.654
230 HA3 GLY 33 2HA GLY 33 3.686 7.561 3.220
231 H ILE 34 H ILE 34 4.678 5.241 4.450
232 HA ILE 34 HA ILE 34 6.998 6.092 5.624
233 HB ILE 34 HB ILE 34 7.319 3.895 6.492
234 HG12 ILE 34 1HG1 ILE 34 5.449 2.871 4.347
235 HG13 ILE 34 2HG1 ILE 34 7.202 2.729 4.286
236 HG21 ILE 34 1HG2 ILE 34 5.300 5.139 7.225
237 HG22 ILE 34 2HG2 ILE 34 4.359 4.233 6.041
238 HG23 ILE 34 3HG2 ILE 34 5.143 3.389 7.376
239 HD11 ILE 34 3HD1 ILE 34 5.253 1.114 5.687
240 HD12 ILE 34 1HD1 ILE 34 6.932 0.765 5.277
241 HD13 ILE 34 2HD1 ILE 34 6.552 1.668 6.744
242 H HIS 35 H HIS 35 6.624 4.475 2.569
243 HA HIS 35 HA HIS 35 9.488 4.000 2.317
244 HB2 HIS 35 1HB HIS 35 7.354 3.490 0.242
245 HB3 HIS 35 2HB HIS 35 8.972 2.797 0.314
246 HD1 HIS 35 HD1 HIS 35 9.320 1.337 2.698
247 HD2 HIS 35 HD2 HIS 35 5.487 1.777 1.157
248 HE1 HIS 35 HE1 HIS 35 7.962 -0.508 3.736
249 H THR 36 H THR 36 6.950 5.713 0.490
250 HA THR 36 HA THR 36 9.050 7.448 -0.631
251 HB THR 36 HB THR 36 7.775 6.203 -2.326
252 HG1 THR 36 HG1 THR 36 7.698 8.993 -2.139
253 HG21 THR 36 3HG2 THR 36 5.346 7.796 -1.565
254 HG22 THR 36 1HG2 THR 36 5.651 6.203 -0.875
255 HG23 THR 36 2HG2 THR 36 5.459 6.387 -2.619
256 H GLY 37 H GLY 37 9.198 9.305 0.451
257 HA2 GLY 37 1HA GLY 37 7.510 11.374 0.474
258 HA3 GLY 37 2HA GLY 37 6.874 10.416 1.803
259 H GLU 38 H GLU 38 8.709 12.997 1.188
260 HA GLU 38 HA GLU 38 10.974 12.567 2.858
261 HB2 GLU 38 1HB GLU 38 9.686 15.160 1.989
262 HB3 GLU 38 2HB GLU 38 11.280 15.003 2.712
263 HG2 GLU 38 1HG GLU 38 10.396 13.925 0.046
264 HG3 GLU 38 2HG GLU 38 11.491 15.276 0.336
265 H LYS 39 H LYS 39 11.185 12.729 5.000
266 HA LYS 39 HA LYS 39 8.924 13.839 6.531
267 HB2 LYS 39 1HB LYS 39 9.366 11.303 6.636
268 HB3 LYS 39 2HB LYS 39 10.789 11.724 7.580
269 HG2 LYS 39 1HG LYS 39 8.138 12.811 8.392
270 HG3 LYS 39 2HG LYS 39 8.535 11.130 8.754
271 HD2 LYS 39 1HD LYS 39 10.622 11.925 9.853
272 HD3 LYS 39 2HD LYS 39 10.073 13.584 9.599
273 HE2 LYS 39 1HE LYS 39 8.466 11.520 11.090
274 HE3 LYS 39 2HE LYS 39 9.609 12.606 11.878
275 HZ1 LYS 39 3HZ LYS 39 7.976 14.079 11.983
276 HZ2 LYS 39 1HZ LYS 39 6.950 13.116 11.043
277 HZ3 LYS 39 2HZ LYS 39 8.009 14.202 10.296
278 HA PRO 40 HA PRO 40 12.618 16.426 7.495
279 HB2 PRO 40 1HB PRO 40 11.220 18.748 7.641
280 HB3 PRO 40 2HB PRO 40 11.838 18.093 6.120
281 HG2 PRO 40 1HG PRO 40 9.079 17.931 7.270
282 HG3 PRO 40 2HG PRO 40 9.578 18.260 5.600
283 HD2 PRO 40 1HD PRO 40 8.712 15.825 6.408
284 HD3 PRO 40 2HD PRO 40 9.929 16.031 5.132
285 H SER 41 H SER 41 13.291 16.720 9.528
286 HA SER 41 HA SER 41 11.837 15.998 11.765
287 HB2 SER 41 1HB SER 41 13.603 17.163 13.079
288 HB3 SER 41 2HB SER 41 14.263 16.129 11.813
289 HG SER 41 HG SER 41 14.146 18.254 10.552
290 H GLY 42 H GLY 42 11.623 18.863 9.943
291 HA2 GLY 42 1HA GLY 42 9.405 19.879 11.244
292 HA3 GLY 42 2HA GLY 42 10.792 20.652 11.998
293 HA PRO 43 HA PRO 43 9.559 22.494 7.715
294 HB2 PRO 43 1HB PRO 43 7.667 24.305 8.428
295 HB3 PRO 43 2HB PRO 43 7.277 22.658 7.919
296 HG2 PRO 43 1HG PRO 43 7.474 23.790 10.684
297 HG3 PRO 43 2HG PRO 43 6.258 22.688 10.010
298 HD2 PRO 43 1HD PRO 43 8.305 21.827 11.560
299 HD3 PRO 43 2HD PRO 43 7.614 20.840 10.256
300 H SER 44 H SER 44 10.574 23.429 10.784
301 HA SER 44 HA SER 44 12.035 25.034 11.486
302 HB2 SER 44 1HB SER 44 13.012 24.685 9.148
303 HB3 SER 44 2HB SER 44 12.105 26.121 8.671
304 HG SER 44 HG SER 44 13.244 27.042 10.657
305 H SER 45 H SER 45 9.258 25.418 11.679
306 HA SER 45 HA SER 45 9.141 28.354 11.621
307 HB2 SER 45 1HB SER 45 6.800 28.286 10.935
308 HB3 SER 45 2HB SER 45 7.799 27.459 9.741
309 HG SER 45 HG SER 45 5.991 26.390 11.604
310 H GLY 46 H GLY 46 7.371 29.199 13.071
311 HA2 GLY 46 1HA GLY 46 5.881 28.649 14.951
312 HA3 GLY 46 2HA GLY 46 7.065 27.441 15.428
Start of MODEL 10
1 H1 GLY 1 H GLY 1 7.899 -22.811 17.811
2 HA2 GLY 1 1HA GLY 1 5.740 -23.906 19.473
3 HA3 GLY 1 2HA GLY 1 6.002 -22.168 19.480
4 H SER 2 H SER 2 3.679 -22.331 18.753
5 HA SER 2 HA SER 2 2.827 -23.340 16.340
6 HB2 SER 2 1HB SER 2 1.124 -21.501 16.364
7 HB3 SER 2 2HB SER 2 1.254 -22.368 17.894
8 HG SER 2 HG SER 2 1.214 -19.979 17.970
9 H SER 3 H SER 3 3.095 -22.854 14.247
10 HA SER 3 HA SER 3 4.378 -20.303 13.548
11 HB2 SER 3 1HB SER 3 5.146 -23.026 12.469
12 HB3 SER 3 2HB SER 3 5.778 -21.487 11.884
13 HG SER 3 HG SER 3 5.963 -22.119 14.614
14 H GLY 4 H GLY 4 3.425 -19.254 11.915
15 HA2 GLY 4 1HA GLY 4 2.171 -18.875 10.012
16 HA3 GLY 4 2HA GLY 4 2.100 -20.614 9.764
17 H SER 5 H SER 5 0.024 -18.476 9.590
18 HA SER 5 HA SER 5 -1.807 -19.230 11.735
19 HB2 SER 5 1HB SER 5 -1.681 -17.028 9.735
20 HB3 SER 5 2HB SER 5 -3.279 -17.531 10.286
21 HG SER 5 HG SER 5 -1.231 -17.030 12.148
22 H SER 6 H SER 6 -2.930 -21.035 11.453
23 HA SER 6 HA SER 6 -3.271 -22.497 9.160
24 HB2 SER 6 1HB SER 6 -5.165 -22.264 11.509
25 HB3 SER 6 2HB SER 6 -5.246 -23.529 10.283
26 HG SER 6 HG SER 6 -3.770 -23.490 12.467
27 H GLY 7 H GLY 7 -5.752 -20.334 10.551
28 HA2 GLY 7 1HA GLY 7 -7.577 -20.467 8.466
29 HA3 GLY 7 2HA GLY 7 -7.400 -19.091 9.546
30 H THR 8 H THR 8 -8.159 -18.780 6.900
31 HA THR 8 HA THR 8 -5.950 -18.179 5.206
32 HB THR 8 HB THR 8 -7.634 -17.002 3.795
33 HG1 THR 8 HG1 THR 8 -8.966 -16.449 5.729
34 HG21 THR 8 3HG2 THR 8 -7.398 -19.733 4.334
35 HG22 THR 8 1HG2 THR 8 -8.108 -18.991 2.902
36 HG23 THR 8 2HG2 THR 8 -9.133 -19.424 4.271
37 H GLY 9 H GLY 9 -4.967 -16.243 4.748
38 HA2 GLY 9 1HA GLY 9 -5.880 -13.843 6.159
39 HA3 GLY 9 2HA GLY 9 -4.254 -14.418 6.494
40 H GLU 10 H GLU 10 -6.383 -13.377 3.855
41 HA GLU 10 HA GLU 10 -4.099 -12.019 2.638
42 HB2 GLU 10 1HB GLU 10 -5.915 -13.927 1.155
43 HB3 GLU 10 2HB GLU 10 -4.755 -12.851 0.388
44 HG2 GLU 10 1HG GLU 10 -2.946 -13.988 1.643
45 HG3 GLU 10 2HG GLU 10 -4.143 -15.126 2.259
46 H LYS 11 H LYS 11 -4.768 -10.459 0.959
47 HA LYS 11 HA LYS 11 -7.561 -9.659 0.981
48 HB2 LYS 11 1HB LYS 11 -5.345 -7.955 2.114
49 HB3 LYS 11 2HB LYS 11 -6.870 -7.276 1.559
50 HG2 LYS 11 1HG LYS 11 -6.738 -9.447 3.628
51 HG3 LYS 11 2HG LYS 11 -6.652 -7.733 4.039
52 HD2 LYS 11 1HD LYS 11 -8.820 -7.368 2.962
53 HD3 LYS 11 2HD LYS 11 -8.903 -9.081 2.546
54 HE2 LYS 11 1HE LYS 11 -10.234 -8.652 4.518
55 HE3 LYS 11 2HE LYS 11 -8.837 -9.640 4.944
56 HZ1 LYS 11 3HZ LYS 11 -7.725 -7.597 5.705
57 HZ2 LYS 11 1HZ LYS 11 -9.136 -7.931 6.578
58 HZ3 LYS 11 2HZ LYS 11 -9.139 -6.721 5.396
59 HA PRO 12 HA PRO 12 -6.688 -8.405 -3.134
60 HB2 PRO 12 1HB PRO 12 -8.462 -6.376 -3.461
61 HB3 PRO 12 2HB PRO 12 -8.947 -8.074 -3.389
62 HG2 PRO 12 1HG PRO 12 -9.017 -5.991 -1.240
63 HG3 PRO 12 2HG PRO 12 -10.236 -7.210 -1.657
64 HD2 PRO 12 1HD PRO 12 -8.524 -7.512 0.419
65 HD3 PRO 12 2HD PRO 12 -9.127 -8.887 -0.528
66 H TYR 13 H TYR 13 -5.994 -6.441 -0.500
67 HA TYR 13 HA TYR 13 -4.528 -4.555 -2.223
68 HB2 TYR 13 1HB TYR 13 -6.246 -4.015 0.167
69 HB3 TYR 13 2HB TYR 13 -4.861 -2.975 -0.146
70 HD1 TYR 13 HD1 TYR 13 -4.776 -1.609 -2.201
71 HD2 TYR 13 HD2 TYR 13 -8.211 -3.911 -1.200
72 HE1 TYR 13 HE1 TYR 13 -6.106 -0.314 -3.815
73 HE2 TYR 13 HE2 TYR 13 -9.550 -2.624 -2.812
74 HH TYR 13 HH TYR 13 -9.568 -0.968 -4.284
75 H LYS 14 H LYS 14 -2.459 -5.120 -2.048
76 HA LYS 14 HA LYS 14 -1.326 -5.397 0.647
77 HB2 LYS 14 1HB LYS 14 -1.635 -7.652 -0.340
78 HB3 LYS 14 2HB LYS 14 -0.626 -7.173 -1.699
79 HG2 LYS 14 1HG LYS 14 1.301 -7.031 -0.350
80 HG3 LYS 14 2HG LYS 14 0.355 -7.104 1.139
81 HD2 LYS 14 1HD LYS 14 -0.409 -9.418 0.203
82 HD3 LYS 14 2HD LYS 14 1.050 -9.288 -0.782
83 HE2 LYS 14 1HE LYS 14 2.401 -9.029 1.224
84 HE3 LYS 14 2HE LYS 14 0.952 -9.083 2.227
85 HZ1 LYS 14 3HZ LYS 14 2.455 -11.235 1.092
86 HZ2 LYS 14 1HZ LYS 14 0.807 -11.354 0.727
87 HZ3 LYS 14 2HZ LYS 14 1.312 -11.260 2.339
88 H CYS 15 H CYS 15 0.560 -4.347 0.960
89 HA CYS 15 HA CYS 15 1.418 -2.405 -0.878
90 HB2 CYS 15 1HB CYS 15 1.749 -2.424 1.648
91 HB3 CYS 15 2HB CYS 15 3.101 -3.515 1.366
92 H ASN 16 H ASN 16 2.561 -2.624 -2.673
93 HA ASN 16 HA ASN 16 3.954 -5.092 -3.239
94 HB2 ASN 16 1HB ASN 16 3.568 -2.577 -4.874
95 HB3 ASN 16 2HB ASN 16 4.382 -4.025 -5.459
96 HD21 ASN 16 1HD2 ASN 16 3.135 -6.000 -5.545
97 HD22 ASN 16 2HD2 ASN 16 1.434 -5.915 -5.837
98 H GLU 17 H GLU 17 4.901 -3.059 -1.186
99 HA GLU 17 HA GLU 17 7.598 -2.612 -2.285
100 HB2 GLU 17 1HB GLU 17 6.630 -0.515 -1.688
101 HB3 GLU 17 2HB GLU 17 6.063 -1.142 -0.146
102 HG2 GLU 17 1HG GLU 17 7.886 0.071 0.509
103 HG3 GLU 17 2HG GLU 17 8.596 -1.530 0.312
104 H CYS 18 H CYS 18 6.007 -3.204 0.855
105 HA CYS 18 HA CYS 18 8.345 -4.812 1.635
106 HB2 CYS 18 1HB CYS 18 7.544 -4.436 3.977
107 HB3 CYS 18 2HB CYS 18 8.017 -2.963 3.137
108 H GLY 19 H GLY 19 4.796 -4.702 1.889
109 HA2 GLY 19 1HA GLY 19 3.704 -6.831 1.130
110 HA3 GLY 19 2HA GLY 19 4.837 -7.641 2.201
111 H LYS 20 H LYS 20 2.441 -5.004 2.339
112 HA LYS 20 HA LYS 20 1.313 -6.263 4.736
113 HB2 LYS 20 1HB LYS 20 2.940 -4.308 5.227
114 HB3 LYS 20 2HB LYS 20 1.657 -3.280 4.603
115 HG2 LYS 20 1HG LYS 20 0.194 -3.858 6.338
116 HG3 LYS 20 2HG LYS 20 1.166 -5.255 6.805
117 HD2 LYS 20 1HD LYS 20 3.007 -3.426 7.225
118 HD3 LYS 20 2HD LYS 20 1.609 -2.357 7.354
119 HE2 LYS 20 1HE LYS 20 1.800 -3.010 9.534
120 HE3 LYS 20 2HE LYS 20 0.729 -4.277 8.938
121 HZ1 LYS 20 3HZ LYS 20 3.251 -5.214 8.445
122 HZ2 LYS 20 1HZ LYS 20 2.230 -5.701 9.703
123 HZ3 LYS 20 2HZ LYS 20 3.379 -4.490 9.969
124 H VAL 21 H VAL 21 -0.821 -6.468 4.592
125 HA VAL 21 HA VAL 21 -2.232 -5.041 2.468
126 HB VAL 21 HB VAL 21 -4.069 -6.616 2.874
127 HG11 VAL 21 1HG1 VAL 21 -1.777 -7.120 1.578
128 HG12 VAL 21 2HG1 VAL 21 -1.746 -8.438 2.751
129 HG13 VAL 21 3HG1 VAL 21 -3.115 -8.265 1.652
130 HG21 VAL 21 3HG2 VAL 21 -4.168 -7.276 5.042
131 HG22 VAL 21 1HG2 VAL 21 -3.221 -8.627 4.421
132 HG23 VAL 21 2HG2 VAL 21 -2.415 -7.286 5.234
133 H PHE 22 H PHE 22 -4.367 -4.137 2.887
134 HA PHE 22 HA PHE 22 -4.798 -3.287 5.663
135 HB2 PHE 22 1HB PHE 22 -4.895 -1.430 3.276
136 HB3 PHE 22 2HB PHE 22 -5.239 -0.992 4.947
137 HD1 PHE 22 HD2 PHE 22 -2.520 -2.497 2.886
138 HD2 PHE 22 HD1 PHE 22 -3.568 -0.033 6.196
139 HE1 PHE 22 HE2 PHE 22 -0.146 -1.952 3.228
140 HE2 PHE 22 HE1 PHE 22 -1.195 0.516 6.542
141 HZ PHE 22 HZ PHE 22 0.520 -0.444 5.058
142 H THR 23 H THR 23 -6.972 -2.546 6.102
143 HA THR 23 HA THR 23 -8.935 -4.185 4.864
144 HB THR 23 HB THR 23 -9.165 -3.626 7.205
145 HG1 THR 23 HG1 THR 23 -11.345 -3.019 7.149
146 HG21 THR 23 3HG2 THR 23 -8.268 -1.145 6.547
147 HG22 THR 23 1HG2 THR 23 -9.038 -1.551 8.080
148 HG23 THR 23 2HG2 THR 23 -9.988 -0.836 6.778
149 H GLN 24 H GLN 24 -8.092 -0.773 4.621
150 HA GLN 24 HA GLN 24 -9.922 -0.563 2.327
151 HB2 GLN 24 1HB GLN 24 -10.537 0.667 4.582
152 HB3 GLN 24 2HB GLN 24 -9.361 1.842 4.007
153 HG2 GLN 24 1HG GLN 24 -11.328 2.693 3.186
154 HG3 GLN 24 2HG GLN 24 -10.733 1.764 1.811
155 HE21 GLN 24 1HE2 GLN 24 -13.184 2.156 1.464
156 HE22 GLN 24 2HE2 GLN 24 -14.207 0.856 1.961
157 H ASN 25 H ASN 25 -9.296 0.982 0.704
158 HA ASN 25 HA ASN 25 -6.570 0.867 0.045
159 HB2 ASN 25 1HB ASN 25 -7.120 2.082 -1.888
160 HB3 ASN 25 2HB ASN 25 -8.606 1.222 -1.496
161 HD21 ASN 25 1HD2 ASN 25 -6.984 4.311 -1.448
162 HD22 ASN 25 2HD2 ASN 25 -8.407 5.275 -1.279
163 H SER 26 H SER 26 -8.542 3.539 1.306
164 HA SER 26 HA SER 26 -6.666 5.561 1.288
165 HB2 SER 26 1HB SER 26 -9.163 5.581 2.019
166 HB3 SER 26 2HB SER 26 -8.527 5.231 3.626
167 HG SER 26 HG SER 26 -7.134 7.132 3.240
168 H HIS 27 H HIS 27 -6.954 2.841 3.460
169 HA HIS 27 HA HIS 27 -5.122 3.837 5.419
170 HB2 HIS 27 1HB HIS 27 -6.481 1.229 4.895
171 HB3 HIS 27 2HB HIS 27 -5.085 1.247 5.969
172 HD1 HIS 27 HD1 HIS 27 -6.329 0.812 8.127
173 HD2 HIS 27 HD2 HIS 27 -7.811 4.077 6.029
174 HE1 HIS 27 HE1 HIS 27 -7.938 1.944 9.694
175 H LEU 28 H LEU 28 -4.884 1.693 2.624
176 HA LEU 28 HA LEU 28 -2.166 0.968 3.075
177 HB2 LEU 28 1HB LEU 28 -3.451 -0.508 1.766
178 HB3 LEU 28 2HB LEU 28 -4.001 0.787 0.705
179 HG LEU 28 HG LEU 28 -1.552 0.967 -0.032
180 HD11 LEU 28 1HD1 LEU 28 -0.235 -1.070 0.209
181 HD12 LEU 28 2HD1 LEU 28 -1.491 -1.772 1.228
182 HD13 LEU 28 3HD1 LEU 28 -0.595 -0.357 1.782
183 HD21 LEU 28 3HD2 LEU 28 -1.958 -0.462 -1.802
184 HD22 LEU 28 1HD2 LEU 28 -3.587 -0.144 -1.205
185 HD23 LEU 28 2HD2 LEU 28 -2.776 -1.654 -0.790
186 H VAL 29 H VAL 29 -3.695 3.154 0.706
187 HA VAL 29 HA VAL 29 -1.515 4.151 -0.581
188 HB VAL 29 HB VAL 29 -3.994 4.793 -0.854
189 HG11 VAL 29 1HG1 VAL 29 -3.993 5.735 1.551
190 HG12 VAL 29 2HG1 VAL 29 -3.256 7.163 0.822
191 HG13 VAL 29 3HG1 VAL 29 -4.849 6.624 0.292
192 HG21 VAL 29 3HG2 VAL 29 -1.589 6.005 -1.666
193 HG22 VAL 29 1HG2 VAL 29 -3.166 6.096 -2.451
194 HG23 VAL 29 2HG2 VAL 29 -2.699 7.316 -1.266
195 H ARG 30 H ARG 30 -2.619 4.979 2.655
196 HA ARG 30 HA ARG 30 -0.883 7.179 3.056
197 HB2 ARG 30 1HB ARG 30 -2.981 6.299 4.415
198 HB3 ARG 30 2HB ARG 30 -1.740 5.475 5.349
199 HG2 ARG 30 1HG ARG 30 -1.921 7.414 6.532
200 HG3 ARG 30 2HG ARG 30 -0.648 7.864 5.396
201 HD2 ARG 30 1HD ARG 30 -3.505 8.346 4.678
202 HD3 ARG 30 2HD ARG 30 -2.692 9.445 5.791
203 HE ARG 30 HE ARG 30 -2.199 9.150 2.955
204 HH11 ARG 30 1HH1 ARG 30 -1.043 10.364 6.006
205 HH12 ARG 30 2HH1 ARG 30 0.018 11.531 5.288
206 HH21 ARG 30 1HH2 ARG 30 -0.807 10.682 1.998
207 HH22 ARG 30 2HH2 ARG 30 0.150 11.712 3.008
208 H HIS 31 H HIS 31 -0.677 3.811 4.213
209 HA HIS 31 HA HIS 31 1.750 3.890 5.480
210 HB2 HIS 31 1HB HIS 31 0.570 1.866 5.629
211 HB3 HIS 31 2HB HIS 31 0.413 1.723 3.881
212 HD1 HIS 31 HD1 HIS 31 2.999 1.374 6.615
213 HD2 HIS 31 HD2 HIS 31 2.397 0.287 2.650
214 HE1 HIS 31 HE1 HIS 31 4.882 -0.197 6.055
215 H ARG 32 H ARG 32 1.258 3.062 2.044
216 HA ARG 32 HA ARG 32 3.707 2.624 1.104
217 HB2 ARG 32 1HB ARG 32 1.797 4.603 -0.152
218 HB3 ARG 32 2HB ARG 32 3.106 3.773 -0.982
219 HG2 ARG 32 1HG ARG 32 1.069 2.121 0.407
220 HG3 ARG 32 2HG ARG 32 0.615 2.918 -1.100
221 HD2 ARG 32 1HD ARG 32 2.510 1.873 -2.230
222 HD3 ARG 32 2HD ARG 32 2.988 1.095 -0.722
223 HE ARG 32 HE ARG 32 0.496 0.190 -1.014
224 HH11 ARG 32 1HH1 ARG 32 3.130 0.415 -3.280
225 HH12 ARG 32 2HH1 ARG 32 2.627 -0.964 -4.201
226 HH21 ARG 32 1HH2 ARG 32 -0.176 -1.627 -2.219
227 HH22 ARG 32 2HH2 ARG 32 0.746 -2.124 -3.597
228 H GLY 33 H GLY 33 2.534 5.789 2.132
229 HA2 GLY 33 1HA GLY 33 4.677 7.353 1.241
230 HA3 GLY 33 2HA GLY 33 3.644 7.739 2.609
231 H ILE 34 H ILE 34 4.212 5.780 4.400
232 HA ILE 34 HA ILE 34 6.351 6.628 5.809
233 HB ILE 34 HB ILE 34 6.352 4.607 7.036
234 HG12 ILE 34 1HG1 ILE 34 4.927 2.650 5.873
235 HG13 ILE 34 2HG1 ILE 34 5.578 3.414 4.427
236 HG21 ILE 34 1HG2 ILE 34 3.571 4.298 6.186
237 HG22 ILE 34 2HG2 ILE 34 4.236 4.740 7.757
238 HG23 ILE 34 3HG2 ILE 34 4.045 5.966 6.504
239 HD11 ILE 34 3HD1 ILE 34 6.821 1.541 6.082
240 HD12 ILE 34 1HD1 ILE 34 7.530 2.428 4.733
241 HD13 ILE 34 2HD1 ILE 34 7.652 3.069 6.372
242 H HIS 35 H HIS 35 6.433 4.496 3.039
243 HA HIS 35 HA HIS 35 9.126 3.641 3.346
244 HB2 HIS 35 1HB HIS 35 7.249 3.693 0.985
245 HB3 HIS 35 2HB HIS 35 8.892 3.068 0.874
246 HD1 HIS 35 HD1 HIS 35 9.378 1.087 2.769
247 HD2 HIS 35 HD2 HIS 35 5.445 1.790 1.628
248 HE1 HIS 35 HE1 HIS 35 8.109 -0.985 3.418
249 H THR 36 H THR 36 7.658 5.993 1.101
250 HA THR 36 HA THR 36 10.219 7.022 0.311
251 HB THR 36 HB THR 36 8.377 7.035 -1.284
252 HG1 THR 36 HG1 THR 36 8.438 9.503 -1.598
253 HG21 THR 36 3HG2 THR 36 6.806 9.214 -0.479
254 HG22 THR 36 1HG2 THR 36 6.937 8.170 0.936
255 HG23 THR 36 2HG2 THR 36 6.317 7.523 -0.584
256 H GLY 37 H GLY 37 11.034 7.601 2.431
257 HA2 GLY 37 1HA GLY 37 11.204 10.227 3.006
258 HA3 GLY 37 2HA GLY 37 9.736 9.765 3.854
259 H GLU 38 H GLU 38 10.415 7.238 4.755
260 HA GLU 38 HA GLU 38 12.766 7.737 6.455
261 HB2 GLU 38 1HB GLU 38 9.977 7.048 7.228
262 HB3 GLU 38 2HB GLU 38 11.277 6.293 8.139
263 HG2 GLU 38 1HG GLU 38 12.182 8.733 8.317
264 HG3 GLU 38 2HG GLU 38 10.511 9.164 7.958
265 H LYS 39 H LYS 39 13.544 5.698 7.536
266 HA LYS 39 HA LYS 39 13.919 3.683 5.531
267 HB2 LYS 39 1HB LYS 39 14.861 3.931 8.387
268 HB3 LYS 39 2HB LYS 39 15.269 2.563 7.360
269 HG2 LYS 39 1HG LYS 39 16.447 3.988 5.831
270 HG3 LYS 39 2HG LYS 39 15.917 5.428 6.703
271 HD2 LYS 39 1HD LYS 39 17.234 4.860 8.603
272 HD3 LYS 39 2HD LYS 39 17.576 3.251 7.962
273 HE2 LYS 39 1HE LYS 39 19.525 4.332 7.433
274 HE3 LYS 39 2HE LYS 39 18.594 4.619 5.963
275 HZ1 LYS 39 3HZ LYS 39 19.467 6.492 7.995
276 HZ2 LYS 39 1HZ LYS 39 17.884 6.722 7.443
277 HZ3 LYS 39 2HZ LYS 39 19.173 6.739 6.348
278 HA PRO 40 HA PRO 40 10.659 0.944 6.648
279 HB2 PRO 40 1HB PRO 40 11.696 -1.373 5.684
280 HB3 PRO 40 2HB PRO 40 11.052 -0.101 4.639
281 HG2 PRO 40 1HG PRO 40 13.894 -0.704 5.359
282 HG3 PRO 40 2HG PRO 40 13.205 -0.280 3.781
283 HD2 PRO 40 1HD PRO 40 14.499 1.520 5.336
284 HD3 PRO 40 2HD PRO 40 13.157 1.973 4.266
285 H SER 41 H SER 41 10.856 1.050 8.932
286 HA SER 41 HA SER 41 12.788 -0.511 10.348
287 HB2 SER 41 1HB SER 41 11.521 0.127 12.354
288 HB3 SER 41 2HB SER 41 11.805 1.528 11.320
289 HG SER 41 HG SER 41 9.512 0.728 12.230
290 H GLY 42 H GLY 42 12.726 -2.607 10.814
291 HA2 GLY 42 1HA GLY 42 10.647 -4.109 11.752
292 HA3 GLY 42 2HA GLY 42 10.481 -4.209 10.005
293 HA PRO 43 HA PRO 43 13.908 -7.055 11.858
294 HB2 PRO 43 1HB PRO 43 12.479 -9.256 12.553
295 HB3 PRO 43 2HB PRO 43 12.842 -7.949 13.686
296 HG2 PRO 43 1HG PRO 43 10.335 -8.469 12.134
297 HG3 PRO 43 2HG PRO 43 10.521 -7.974 13.827
298 HD2 PRO 43 1HD PRO 43 9.895 -6.224 11.858
299 HD3 PRO 43 2HD PRO 43 10.860 -5.762 13.275
300 H SER 44 H SER 44 14.918 -8.222 10.343
301 HA SER 44 HA SER 44 14.045 -8.625 7.795
302 HB2 SER 44 1HB SER 44 15.857 -10.176 7.496
303 HB3 SER 44 2HB SER 44 16.391 -8.956 8.651
304 HG SER 44 HG SER 44 15.273 -11.437 9.435
305 H SER 45 H SER 45 13.105 -10.288 6.619
306 HA SER 45 HA SER 45 11.570 -12.214 8.231
307 HB2 SER 45 1HB SER 45 10.396 -10.451 6.739
308 HB3 SER 45 2HB SER 45 10.905 -11.469 5.392
309 HG SER 45 HG SER 45 8.929 -11.871 7.249
310 H GLY 46 H GLY 46 11.027 -14.279 7.032
311 HA2 GLY 46 1HA GLY 46 13.367 -15.163 5.457
312 HA3 GLY 46 2HA GLY 46 12.648 -16.159 6.714
Start of MODEL 11
1 H1 GLY 1 H GLY 1 16.126 -19.234 20.748
2 HA2 GLY 1 1HA GLY 1 14.350 -21.000 20.569
3 HA3 GLY 1 2HA GLY 1 13.306 -19.846 21.387
4 H SER 2 H SER 2 11.798 -19.549 19.815
5 HA SER 2 HA SER 2 12.449 -17.783 17.679
6 HB2 SER 2 1HB SER 2 11.775 -19.272 15.814
7 HB3 SER 2 2HB SER 2 13.242 -19.831 16.616
8 HG SER 2 HG SER 2 10.621 -20.868 16.809
9 H SER 3 H SER 3 10.476 -17.424 16.241
10 HA SER 3 HA SER 3 7.942 -18.132 17.475
11 HB2 SER 3 1HB SER 3 8.530 -16.141 18.733
12 HB3 SER 3 2HB SER 3 8.881 -15.263 17.245
13 HG SER 3 HG SER 3 6.822 -14.911 16.975
14 H GLY 4 H GLY 4 6.299 -18.231 16.029
15 HA2 GLY 4 1HA GLY 4 6.211 -16.739 13.611
16 HA3 GLY 4 2HA GLY 4 6.794 -18.368 13.306
17 H SER 5 H SER 5 4.241 -16.836 12.655
18 HA SER 5 HA SER 5 2.469 -19.071 13.074
19 HB2 SER 5 1HB SER 5 1.764 -16.376 14.262
20 HB3 SER 5 2HB SER 5 0.702 -17.782 14.195
21 HG SER 5 HG SER 5 2.778 -17.221 15.905
22 H SER 6 H SER 6 1.582 -19.351 11.149
23 HA SER 6 HA SER 6 1.259 -17.075 9.352
24 HB2 SER 6 1HB SER 6 1.035 -20.059 8.913
25 HB3 SER 6 2HB SER 6 0.712 -18.861 7.660
26 HG SER 6 HG SER 6 2.889 -19.705 7.668
27 H GLY 7 H GLY 7 -0.544 -15.990 10.055
28 HA2 GLY 7 1HA GLY 7 -3.085 -17.290 9.481
29 HA3 GLY 7 2HA GLY 7 -2.863 -16.740 11.135
30 H THR 8 H THR 8 -3.202 -15.747 7.796
31 HA THR 8 HA THR 8 -4.034 -13.093 8.740
32 HB THR 8 HB THR 8 -2.958 -12.061 6.743
33 HG1 THR 8 HG1 THR 8 -2.320 -14.707 6.284
34 HG21 THR 8 3HG2 THR 8 -1.564 -13.201 9.056
35 HG22 THR 8 1HG2 THR 8 -1.547 -11.556 8.421
36 HG23 THR 8 2HG2 THR 8 -0.505 -12.787 7.708
37 H GLY 9 H GLY 9 -5.075 -11.861 6.793
38 HA2 GLY 9 1HA GLY 9 -6.827 -13.779 5.383
39 HA3 GLY 9 2HA GLY 9 -7.396 -12.245 6.024
40 H GLU 10 H GLU 10 -5.510 -13.790 3.513
41 HA GLU 10 HA GLU 10 -4.368 -11.830 2.092
42 HB2 GLU 10 1HB GLU 10 -4.769 -13.065 0.080
43 HB3 GLU 10 2HB GLU 10 -4.582 -14.224 1.389
44 HG2 GLU 10 1HG GLU 10 -7.103 -14.274 1.531
45 HG3 GLU 10 2HG GLU 10 -7.111 -13.380 0.012
46 H LYS 11 H LYS 11 -4.923 -9.920 1.295
47 HA LYS 11 HA LYS 11 -7.756 -9.431 0.647
48 HB2 LYS 11 1HB LYS 11 -5.789 -7.678 2.101
49 HB3 LYS 11 2HB LYS 11 -7.200 -7.002 1.298
50 HG2 LYS 11 1HG LYS 11 -8.437 -8.866 2.717
51 HG3 LYS 11 2HG LYS 11 -7.017 -8.661 3.746
52 HD2 LYS 11 1HD LYS 11 -7.531 -6.461 4.238
53 HD3 LYS 11 2HD LYS 11 -8.507 -6.256 2.781
54 HE2 LYS 11 1HE LYS 11 -9.349 -8.151 4.944
55 HE3 LYS 11 2HE LYS 11 -9.691 -6.427 5.073
56 HZ1 LYS 11 3HZ LYS 11 -11.276 -6.547 3.517
57 HZ2 LYS 11 1HZ LYS 11 -11.278 -8.207 3.844
58 HZ3 LYS 11 2HZ LYS 11 -10.397 -7.605 2.532
59 HA PRO 12 HA PRO 12 -6.488 -8.048 -3.321
60 HB2 PRO 12 1HB PRO 12 -8.269 -6.057 -3.804
61 HB3 PRO 12 2HB PRO 12 -8.715 -7.767 -3.814
62 HG2 PRO 12 1HG PRO 12 -9.071 -5.729 -1.651
63 HG3 PRO 12 2HG PRO 12 -10.205 -6.969 -2.217
64 HD2 PRO 12 1HD PRO 12 -8.720 -7.269 0.027
65 HD3 PRO 12 2HD PRO 12 -9.181 -8.639 -1.004
66 H TYR 13 H TYR 13 -5.905 -6.282 -0.610
67 HA TYR 13 HA TYR 13 -4.521 -4.179 -2.139
68 HB2 TYR 13 1HB TYR 13 -5.800 -3.872 0.585
69 HB3 TYR 13 2HB TYR 13 -4.924 -2.622 -0.291
70 HD1 TYR 13 HD1 TYR 13 -5.970 -2.864 -3.002
71 HD2 TYR 13 HD2 TYR 13 -8.004 -3.160 0.723
72 HE1 TYR 13 HE1 TYR 13 -8.059 -2.161 -4.094
73 HE2 TYR 13 HE2 TYR 13 -10.099 -2.459 -0.359
74 HH TYR 13 HH TYR 13 -10.247 -1.019 -3.318
75 H LYS 14 H LYS 14 -2.422 -4.623 -2.056
76 HA LYS 14 HA LYS 14 -1.232 -5.250 0.556
77 HB2 LYS 14 1HB LYS 14 -1.420 -7.334 -0.762
78 HB3 LYS 14 2HB LYS 14 -0.491 -6.586 -2.054
79 HG2 LYS 14 1HG LYS 14 1.175 -7.722 -1.019
80 HG3 LYS 14 2HG LYS 14 1.249 -6.221 -0.092
81 HD2 LYS 14 1HD LYS 14 0.256 -7.165 1.765
82 HD3 LYS 14 2HD LYS 14 -0.545 -8.426 0.825
83 HE2 LYS 14 1HE LYS 14 2.438 -8.285 1.208
84 HE3 LYS 14 2HE LYS 14 1.367 -9.192 2.275
85 HZ1 LYS 14 3HZ LYS 14 1.778 -9.643 -0.630
86 HZ2 LYS 14 1HZ LYS 14 0.615 -10.443 0.302
87 HZ3 LYS 14 2HZ LYS 14 2.259 -10.660 0.633
88 H CYS 15 H CYS 15 0.902 -4.523 0.858
89 HA CYS 15 HA CYS 15 1.557 -2.178 -0.698
90 HB2 CYS 15 1HB CYS 15 1.774 -2.114 1.737
91 HB3 CYS 15 2HB CYS 15 2.943 -3.430 1.683
92 H ASN 16 H ASN 16 2.855 -2.163 -2.400
93 HA ASN 16 HA ASN 16 4.416 -4.516 -3.055
94 HB2 ASN 16 1HB ASN 16 2.994 -2.942 -4.644
95 HB3 ASN 16 2HB ASN 16 4.502 -2.034 -4.715
96 HD21 ASN 16 1HD2 ASN 16 6.465 -3.394 -5.183
97 HD22 ASN 16 2HD2 ASN 16 6.292 -4.616 -6.393
98 H GLU 17 H GLU 17 5.259 -2.991 -0.760
99 HA GLU 17 HA GLU 17 7.944 -2.224 -1.687
100 HB2 GLU 17 1HB GLU 17 6.424 -0.869 0.546
101 HB3 GLU 17 2HB GLU 17 8.028 -0.446 -0.035
102 HG2 GLU 17 1HG GLU 17 5.438 -0.185 -1.541
103 HG3 GLU 17 2HG GLU 17 6.423 1.122 -0.886
104 H CYS 18 H CYS 18 5.966 -3.300 1.050
105 HA CYS 18 HA CYS 18 8.333 -4.715 2.091
106 HB2 CYS 18 1HB CYS 18 7.281 -4.450 4.363
107 HB3 CYS 18 2HB CYS 18 7.850 -2.952 3.634
108 H GLY 19 H GLY 19 4.775 -4.698 2.013
109 HA2 GLY 19 1HA GLY 19 3.740 -6.768 1.129
110 HA3 GLY 19 2HA GLY 19 4.876 -7.650 2.139
111 H LYS 20 H LYS 20 2.224 -5.295 2.312
112 HA LYS 20 HA LYS 20 1.186 -6.716 4.641
113 HB2 LYS 20 1HB LYS 20 2.141 -3.890 4.619
114 HB3 LYS 20 2HB LYS 20 0.707 -4.274 5.561
115 HG2 LYS 20 1HG LYS 20 1.867 -5.610 7.036
116 HG3 LYS 20 2HG LYS 20 3.173 -5.921 5.890
117 HD2 LYS 20 1HD LYS 20 3.782 -3.484 6.097
118 HD3 LYS 20 2HD LYS 20 2.633 -3.391 7.434
119 HE2 LYS 20 1HE LYS 20 3.883 -5.110 8.634
120 HE3 LYS 20 2HE LYS 20 5.016 -5.237 7.290
121 HZ1 LYS 20 3HZ LYS 20 5.839 -3.849 9.130
122 HZ2 LYS 20 1HZ LYS 20 4.563 -2.768 8.875
123 HZ3 LYS 20 2HZ LYS 20 5.730 -2.995 7.673
124 H VAL 21 H VAL 21 -1.039 -6.508 4.938
125 HA VAL 21 HA VAL 21 -2.460 -5.282 2.668
126 HB VAL 21 HB VAL 21 -4.292 -6.854 3.136
127 HG11 VAL 21 1HG1 VAL 21 -2.711 -9.000 2.758
128 HG12 VAL 21 2HG1 VAL 21 -3.085 -7.827 1.494
129 HG13 VAL 21 3HG1 VAL 21 -1.570 -7.707 2.389
130 HG21 VAL 21 3HG2 VAL 21 -4.323 -7.492 5.315
131 HG22 VAL 21 1HG2 VAL 21 -3.407 -8.854 4.669
132 HG23 VAL 21 2HG2 VAL 21 -2.564 -7.515 5.449
133 H PHE 22 H PHE 22 -4.527 -4.297 3.084
134 HA PHE 22 HA PHE 22 -5.038 -3.527 5.861
135 HB2 PHE 22 1HB PHE 22 -4.880 -1.520 3.603
136 HB3 PHE 22 2HB PHE 22 -5.237 -1.173 5.292
137 HD1 PHE 22 HD2 PHE 22 -2.595 -2.482 3.043
138 HD2 PHE 22 HD1 PHE 22 -3.524 -0.705 6.797
139 HE1 PHE 22 HE2 PHE 22 -0.196 -2.156 3.478
140 HE2 PHE 22 HE1 PHE 22 -1.126 -0.375 7.239
141 HZ PHE 22 HZ PHE 22 0.542 -1.102 5.579
142 H THR 23 H THR 23 -7.170 -3.142 6.343
143 HA THR 23 HA THR 23 -9.110 -4.289 4.614
144 HB THR 23 HB THR 23 -9.443 -4.468 6.988
145 HG1 THR 23 HG1 THR 23 -11.451 -4.415 6.269
146 HG21 THR 23 3HG2 THR 23 -8.566 -1.795 7.038
147 HG22 THR 23 1HG2 THR 23 -9.002 -2.811 8.412
148 HG23 THR 23 2HG2 THR 23 -10.219 -1.785 7.653
149 H GLN 24 H GLN 24 -8.000 -1.044 5.180
150 HA GLN 24 HA GLN 24 -10.106 -0.025 3.389
151 HB2 GLN 24 1HB GLN 24 -10.133 0.942 5.670
152 HB3 GLN 24 2HB GLN 24 -8.488 1.515 5.426
153 HG2 GLN 24 1HG GLN 24 -9.127 3.165 3.973
154 HG3 GLN 24 2HG GLN 24 -10.590 2.314 3.479
155 HE21 GLN 24 1HE2 GLN 24 -12.349 2.218 5.022
156 HE22 GLN 24 2HE2 GLN 24 -12.568 3.520 6.137
157 H ASN 25 H ASN 25 -9.484 0.602 1.436
158 HA ASN 25 HA ASN 25 -6.937 0.367 0.418
159 HB2 ASN 25 1HB ASN 25 -8.866 0.538 -1.037
160 HB3 ASN 25 2HB ASN 25 -9.174 2.186 -0.498
161 HD21 ASN 25 1HD2 ASN 25 -6.634 0.207 -1.976
162 HD22 ASN 25 2HD2 ASN 25 -6.061 1.436 -3.047
163 H SER 26 H SER 26 -8.527 3.334 1.570
164 HA SER 26 HA SER 26 -6.562 5.179 1.039
165 HB2 SER 26 1HB SER 26 -8.643 4.951 3.170
166 HB3 SER 26 2HB SER 26 -7.423 6.215 3.323
167 HG SER 26 HG SER 26 -9.178 5.801 1.130
168 H HIS 27 H HIS 27 -6.877 3.201 3.982
169 HA HIS 27 HA HIS 27 -4.709 4.110 5.405
170 HB2 HIS 27 1HB HIS 27 -6.102 1.479 5.231
171 HB3 HIS 27 2HB HIS 27 -4.577 1.550 6.108
172 HD1 HIS 27 HD1 HIS 27 -4.934 1.882 8.520
173 HD2 HIS 27 HD2 HIS 27 -7.863 3.778 6.264
174 HE1 HIS 27 HE1 HIS 27 -6.472 2.965 10.189
175 H LEU 28 H LEU 28 -4.716 1.458 3.027
176 HA LEU 28 HA LEU 28 -1.963 0.923 3.145
177 HB2 LEU 28 1HB LEU 28 -3.250 -0.734 2.150
178 HB3 LEU 28 2HB LEU 28 -4.104 0.413 1.120
179 HG LEU 28 HG LEU 28 -2.040 0.683 -0.221
180 HD11 LEU 28 1HD1 LEU 28 -1.006 -1.557 1.510
181 HD12 LEU 28 2HD1 LEU 28 -0.409 0.102 1.490
182 HD13 LEU 28 3HD1 LEU 28 -0.219 -0.921 0.066
183 HD21 LEU 28 3HD2 LEU 28 -2.863 -2.205 0.003
184 HD22 LEU 28 1HD2 LEU 28 -2.261 -1.360 -1.423
185 HD23 LEU 28 2HD2 LEU 28 -3.850 -0.962 -0.768
186 H VAL 29 H VAL 29 -3.712 2.594 0.519
187 HA VAL 29 HA VAL 29 -1.700 3.523 -1.001
188 HB VAL 29 HB VAL 29 -4.075 5.172 -0.125
189 HG11 VAL 29 1HG1 VAL 29 -1.881 6.063 -1.504
190 HG12 VAL 29 2HG1 VAL 29 -2.991 5.613 -2.800
191 HG13 VAL 29 3HG1 VAL 29 -3.492 6.776 -1.571
192 HG21 VAL 29 3HG2 VAL 29 -4.912 3.191 -1.074
193 HG22 VAL 29 1HG2 VAL 29 -4.949 4.373 -2.382
194 HG23 VAL 29 2HG2 VAL 29 -3.667 3.163 -2.323
195 H ARG 30 H ARG 30 -2.637 4.819 2.138
196 HA ARG 30 HA ARG 30 -0.727 6.978 2.009
197 HB2 ARG 30 1HB ARG 30 -2.951 7.024 3.257
198 HB3 ARG 30 2HB ARG 30 -2.179 6.005 4.465
199 HG2 ARG 30 1HG ARG 30 -0.868 8.559 3.669
200 HG3 ARG 30 2HG ARG 30 -2.257 8.597 4.757
201 HD2 ARG 30 1HD ARG 30 -1.119 7.096 6.293
202 HD3 ARG 30 2HD ARG 30 0.251 6.979 5.190
203 HE ARG 30 HE ARG 30 -0.401 9.655 6.075
204 HH11 ARG 30 1HH1 ARG 30 1.495 6.785 6.613
205 HH12 ARG 30 2HH1 ARG 30 2.713 7.605 7.534
206 HH21 ARG 30 1HH2 ARG 30 1.195 10.745 7.286
207 HH22 ARG 30 2HH2 ARG 30 2.540 9.857 7.917
208 H HIS 31 H HIS 31 -0.975 3.823 3.567
209 HA HIS 31 HA HIS 31 1.151 3.898 5.308
210 HB2 HIS 31 1HB HIS 31 -0.010 1.917 5.454
211 HB3 HIS 31 2HB HIS 31 -0.129 1.732 3.707
212 HD1 HIS 31 HD1 HIS 31 2.061 0.944 6.614
213 HD2 HIS 31 HD2 HIS 31 2.064 0.454 2.488
214 HE1 HIS 31 HE1 HIS 31 3.910 -0.692 6.132
215 H ARG 32 H ARG 32 1.335 2.647 1.968
216 HA ARG 32 HA ARG 32 3.967 2.177 1.683
217 HB2 ARG 32 1HB ARG 32 3.712 3.125 -0.700
218 HB3 ARG 32 2HB ARG 32 2.665 1.796 -0.220
219 HG2 ARG 32 1HG ARG 32 0.920 3.529 0.337
220 HG3 ARG 32 2HG ARG 32 1.963 4.706 -0.465
221 HD2 ARG 32 1HD ARG 32 1.080 2.169 -1.812
222 HD3 ARG 32 2HD ARG 32 0.107 3.639 -1.855
223 HE ARG 32 HE ARG 32 2.617 3.161 -3.230
224 HH11 ARG 32 1HH1 ARG 32 0.214 5.470 -2.220
225 HH12 ARG 32 2HH1 ARG 32 0.669 6.655 -3.399
226 HH21 ARG 32 1HH2 ARG 32 3.224 4.714 -4.787
227 HH22 ARG 32 2HH2 ARG 32 2.380 6.223 -4.859
228 H GLY 33 H GLY 33 2.470 5.350 1.859
229 HA2 GLY 33 1HA GLY 33 4.423 7.037 0.971
230 HA3 GLY 33 2HA GLY 33 3.411 7.393 2.363
231 H ILE 34 H ILE 34 4.325 5.454 4.143
232 HA ILE 34 HA ILE 34 6.394 6.669 5.438
233 HB ILE 34 HB ILE 34 6.718 4.683 6.722
234 HG12 ILE 34 1HG1 ILE 34 5.196 3.137 4.619
235 HG13 ILE 34 2HG1 ILE 34 6.953 3.178 4.710
236 HG21 ILE 34 1HG2 ILE 34 4.734 5.188 7.594
237 HG22 ILE 34 2HG2 ILE 34 4.074 5.611 6.015
238 HG23 ILE 34 3HG2 ILE 34 4.048 3.934 6.562
239 HD11 ILE 34 3HD1 ILE 34 6.029 1.168 5.732
240 HD12 ILE 34 1HD1 ILE 34 6.878 2.166 6.913
241 HD13 ILE 34 2HD1 ILE 34 5.115 2.165 6.865
242 H HIS 35 H HIS 35 6.588 4.427 2.764
243 HA HIS 35 HA HIS 35 9.391 3.932 2.981
244 HB2 HIS 35 1HB HIS 35 7.545 3.605 0.606
245 HB3 HIS 35 2HB HIS 35 9.173 2.945 0.737
246 HD1 HIS 35 HD1 HIS 35 9.350 0.656 1.686
247 HD2 HIS 35 HD2 HIS 35 5.721 2.455 2.610
248 HE1 HIS 35 HE1 HIS 35 7.991 -1.123 2.832
249 H THR 36 H THR 36 7.477 5.870 0.677
250 HA THR 36 HA THR 36 9.737 7.085 -0.526
251 HB THR 36 HB THR 36 8.125 8.662 -1.533
252 HG1 THR 36 HG1 THR 36 6.436 9.038 -0.300
253 HG21 THR 36 3HG2 THR 36 7.021 7.092 -2.901
254 HG22 THR 36 1HG2 THR 36 6.941 5.897 -1.608
255 HG23 THR 36 2HG2 THR 36 8.489 6.276 -2.363
256 H GLY 37 H GLY 37 11.094 8.363 0.560
257 HA2 GLY 37 1HA GLY 37 10.636 10.896 1.386
258 HA3 GLY 37 2HA GLY 37 10.199 9.952 2.803
259 H GLU 38 H GLU 38 11.771 9.206 4.125
260 HA GLU 38 HA GLU 38 14.544 9.250 3.203
261 HB2 GLU 38 1HB GLU 38 13.375 11.002 5.306
262 HB3 GLU 38 2HB GLU 38 14.972 10.330 5.605
263 HG2 GLU 38 1HG GLU 38 14.324 11.771 3.060
264 HG3 GLU 38 2HG GLU 38 14.827 12.629 4.515
265 H LYS 39 H LYS 39 15.352 7.323 3.657
266 HA LYS 39 HA LYS 39 15.403 6.231 6.257
267 HB2 LYS 39 1HB LYS 39 14.013 4.258 5.950
268 HB3 LYS 39 2HB LYS 39 13.047 5.714 5.750
269 HG2 LYS 39 1HG LYS 39 12.290 4.537 3.970
270 HG3 LYS 39 2HG LYS 39 13.669 5.330 3.204
271 HD2 LYS 39 1HD LYS 39 14.992 3.391 3.335
272 HD3 LYS 39 2HD LYS 39 13.910 2.631 4.505
273 HE2 LYS 39 1HE LYS 39 12.154 2.784 2.607
274 HE3 LYS 39 2HE LYS 39 13.551 3.003 1.554
275 HZ1 LYS 39 3HZ LYS 39 14.406 0.902 2.189
276 HZ2 LYS 39 1HZ LYS 39 12.776 0.663 1.804
277 HZ3 LYS 39 2HZ LYS 39 13.263 0.719 3.422
278 HA PRO 40 HA PRO 40 18.828 4.213 4.365
279 HB2 PRO 40 1HB PRO 40 19.322 2.333 6.260
280 HB3 PRO 40 2HB PRO 40 19.706 4.044 6.481
281 HG2 PRO 40 1HG PRO 40 17.350 2.487 7.476
282 HG3 PRO 40 2HG PRO 40 18.332 3.695 8.325
283 HD2 PRO 40 1HD PRO 40 15.917 4.277 7.249
284 HD3 PRO 40 2HD PRO 40 17.233 5.465 7.341
285 H SER 41 H SER 41 19.067 2.646 2.884
286 HA SER 41 HA SER 41 16.929 0.746 2.497
287 HB2 SER 41 1HB SER 41 17.859 1.840 0.542
288 HB3 SER 41 2HB SER 41 19.475 1.254 0.939
289 HG SER 41 HG SER 41 18.987 -0.646 0.147
290 H GLY 42 H GLY 42 20.472 0.475 2.857
291 HA2 GLY 42 1HA GLY 42 21.614 -1.074 4.198
292 HA3 GLY 42 2HA GLY 42 20.105 -1.941 4.442
293 HA PRO 43 HA PRO 43 22.858 -3.667 0.871
294 HB2 PRO 43 1HB PRO 43 24.574 -5.284 2.216
295 HB3 PRO 43 2HB PRO 43 24.955 -3.607 1.807
296 HG2 PRO 43 1HG PRO 43 23.975 -4.750 4.395
297 HG3 PRO 43 2HG PRO 43 25.237 -3.536 4.114
298 HD2 PRO 43 1HD PRO 43 22.727 -2.877 4.890
299 HD3 PRO 43 2HD PRO 43 23.710 -1.829 3.848
300 H SER 44 H SER 44 22.749 -5.853 0.116
301 HA SER 44 HA SER 44 21.484 -7.729 -0.248
302 HB2 SER 44 1HB SER 44 21.912 -9.463 1.305
303 HB3 SER 44 2HB SER 44 23.301 -8.384 1.438
304 HG SER 44 HG SER 44 21.376 -9.005 3.287
305 H SER 45 H SER 45 19.846 -5.567 0.298
306 HA SER 45 HA SER 45 17.715 -6.778 1.936
307 HB2 SER 45 1HB SER 45 18.767 -4.540 2.691
308 HB3 SER 45 2HB SER 45 17.889 -3.832 1.336
309 HG SER 45 HG SER 45 16.631 -5.435 3.300
310 H GLY 46 H GLY 46 15.710 -7.005 1.065
311 HA2 GLY 46 1HA GLY 46 15.500 -6.536 -1.814
312 HA3 GLY 46 2HA GLY 46 14.444 -7.556 -0.849
Start of MODEL 12
1 H1 GLY 1 H GLY 1 0.971 -23.035 24.713
2 HA2 GLY 1 1HA GLY 1 3.252 -22.383 25.027
3 HA3 GLY 1 2HA GLY 1 3.286 -23.625 23.785
4 H SER 2 H SER 2 5.288 -22.626 23.101
5 HA SER 2 HA SER 2 5.029 -20.013 21.818
6 HB2 SER 2 1HB SER 2 7.358 -21.753 22.576
7 HB3 SER 2 2HB SER 2 7.561 -20.465 21.389
8 HG SER 2 HG SER 2 7.646 -19.131 22.995
9 H SER 3 H SER 3 3.540 -22.018 20.608
10 HA SER 3 HA SER 3 4.882 -22.178 18.010
11 HB2 SER 3 1HB SER 3 4.979 -24.382 19.412
12 HB3 SER 3 2HB SER 3 3.280 -24.532 18.964
13 HG SER 3 HG SER 3 3.837 -24.679 16.855
14 H GLY 4 H GLY 4 3.568 -21.825 16.286
15 HA2 GLY 4 1HA GLY 4 0.776 -22.227 16.254
16 HA3 GLY 4 2HA GLY 4 1.107 -20.548 16.652
17 H SER 5 H SER 5 -0.250 -21.503 14.321
18 HA SER 5 HA SER 5 1.532 -21.438 12.086
19 HB2 SER 5 1HB SER 5 -0.428 -21.545 10.722
20 HB3 SER 5 2HB SER 5 -0.745 -22.552 12.135
21 HG SER 5 HG SER 5 -2.520 -21.331 12.022
22 H SER 6 H SER 6 1.596 -19.802 10.440
23 HA SER 6 HA SER 6 2.182 -17.266 11.318
24 HB2 SER 6 1HB SER 6 2.705 -18.281 9.051
25 HB3 SER 6 2HB SER 6 1.069 -17.836 8.568
26 HG SER 6 HG SER 6 1.584 -15.731 8.693
27 H GLY 7 H GLY 7 -0.899 -18.438 10.000
28 HA2 GLY 7 1HA GLY 7 -2.970 -17.419 9.885
29 HA3 GLY 7 2HA GLY 7 -2.622 -17.046 11.566
30 H THR 8 H THR 8 -2.633 -15.837 8.295
31 HA THR 8 HA THR 8 -2.539 -13.106 9.368
32 HB THR 8 HB THR 8 -1.112 -13.909 6.830
33 HG1 THR 8 HG1 THR 8 -0.263 -13.810 9.496
34 HG21 THR 8 3HG2 THR 8 -0.014 -11.576 7.615
35 HG22 THR 8 1HG2 THR 8 -1.652 -11.364 8.230
36 HG23 THR 8 2HG2 THR 8 -1.388 -11.682 6.516
37 H GLY 9 H GLY 9 -3.657 -11.537 8.131
38 HA2 GLY 9 1HA GLY 9 -5.869 -12.661 6.621
39 HA3 GLY 9 2HA GLY 9 -5.701 -10.991 7.142
40 H GLU 10 H GLU 10 -5.748 -12.965 4.505
41 HA GLU 10 HA GLU 10 -3.870 -11.385 2.924
42 HB2 GLU 10 1HB GLU 10 -5.292 -13.977 2.549
43 HB3 GLU 10 2HB GLU 10 -4.843 -13.069 1.111
44 HG2 GLU 10 1HG GLU 10 -2.509 -12.972 2.358
45 HG3 GLU 10 2HG GLU 10 -3.135 -14.442 3.103
46 H LYS 11 H LYS 11 -4.542 -9.605 1.947
47 HA LYS 11 HA LYS 11 -7.340 -9.468 1.032
48 HB2 LYS 11 1HB LYS 11 -5.626 -7.402 2.374
49 HB3 LYS 11 2HB LYS 11 -6.950 -6.912 1.325
50 HG2 LYS 11 1HG LYS 11 -7.935 -6.899 3.406
51 HG3 LYS 11 2HG LYS 11 -8.377 -8.495 2.795
52 HD2 LYS 11 1HD LYS 11 -6.345 -9.386 3.999
53 HD3 LYS 11 2HD LYS 11 -6.208 -7.803 4.768
54 HE2 LYS 11 1HE LYS 11 -7.426 -8.999 6.327
55 HE3 LYS 11 2HE LYS 11 -8.694 -8.187 5.410
56 HZ1 LYS 11 3HZ LYS 11 -9.547 -10.143 4.878
57 HZ2 LYS 11 1HZ LYS 11 -8.383 -10.915 5.833
58 HZ3 LYS 11 2HZ LYS 11 -8.087 -10.650 4.189
59 HA PRO 12 HA PRO 12 -5.904 -8.565 -3.015
60 HB2 PRO 12 1HB PRO 12 -7.765 -6.790 -3.885
61 HB3 PRO 12 2HB PRO 12 -8.106 -8.511 -3.670
62 HG2 PRO 12 1HG PRO 12 -8.727 -6.215 -1.852
63 HG3 PRO 12 2HG PRO 12 -9.744 -7.598 -2.295
64 HD2 PRO 12 1HD PRO 12 -8.396 -7.474 0.050
65 HD3 PRO 12 2HD PRO 12 -8.705 -9.005 -0.794
66 H TYR 13 H TYR 13 -5.939 -6.194 -0.603
67 HA TYR 13 HA TYR 13 -4.467 -4.311 -2.327
68 HB2 TYR 13 1HB TYR 13 -6.314 -3.867 -0.007
69 HB3 TYR 13 2HB TYR 13 -5.068 -2.679 -0.373
70 HD1 TYR 13 HD2 TYR 13 -7.344 -4.712 -2.535
71 HD2 TYR 13 HD1 TYR 13 -6.031 -0.836 -1.372
72 HE1 TYR 13 HE2 TYR 13 -8.805 -3.712 -4.241
73 HE2 TYR 13 HE1 TYR 13 -7.490 0.176 -3.074
74 HH TYR 13 HH TYR 13 -8.547 -0.526 -5.245
75 H LYS 14 H LYS 14 -2.408 -5.063 -2.045
76 HA LYS 14 HA LYS 14 -1.347 -4.921 0.700
77 HB2 LYS 14 1HB LYS 14 -1.522 -7.252 -0.470
78 HB3 LYS 14 2HB LYS 14 -0.117 -6.703 -1.375
79 HG2 LYS 14 1HG LYS 14 1.244 -6.686 0.488
80 HG3 LYS 14 2HG LYS 14 -0.115 -6.562 1.608
81 HD2 LYS 14 1HD LYS 14 -0.767 -8.869 1.028
82 HD3 LYS 14 2HD LYS 14 0.642 -8.983 -0.030
83 HE2 LYS 14 1HE LYS 14 2.123 -8.670 1.860
84 HE3 LYS 14 2HE LYS 14 0.746 -8.434 2.935
85 HZ1 LYS 14 3HZ LYS 14 0.263 -10.836 1.732
86 HZ2 LYS 14 1HZ LYS 14 0.860 -10.608 3.299
87 HZ3 LYS 14 2HZ LYS 14 1.930 -10.865 2.015
88 H CYS 15 H CYS 15 0.985 -4.428 0.804
89 HA CYS 15 HA CYS 15 1.657 -2.400 -1.192
90 HB2 CYS 15 1HB CYS 15 1.694 -1.773 1.201
91 HB3 CYS 15 2HB CYS 15 2.942 -2.981 1.485
92 H ASN 16 H ASN 16 2.867 -3.032 -2.845
93 HA ASN 16 HA ASN 16 4.361 -5.417 -2.922
94 HB2 ASN 16 1HB ASN 16 4.538 -2.964 -4.684
95 HB3 ASN 16 2HB ASN 16 5.283 -4.518 -5.046
96 HD21 ASN 16 1HD2 ASN 16 2.658 -2.616 -5.596
97 HD22 ASN 16 2HD2 ASN 16 1.533 -3.823 -6.109
98 H GLU 17 H GLU 17 5.152 -2.187 -1.917
99 HA GLU 17 HA GLU 17 7.928 -2.221 -2.139
100 HB2 GLU 17 1HB GLU 17 6.397 -0.945 0.128
101 HB3 GLU 17 2HB GLU 17 7.955 -0.453 -0.522
102 HG2 GLU 17 1HG GLU 17 5.307 -0.294 -1.943
103 HG3 GLU 17 2HG GLU 17 6.202 1.053 -1.242
104 H CYS 18 H CYS 18 5.864 -3.308 0.539
105 HA CYS 18 HA CYS 18 8.142 -4.885 1.535
106 HB2 CYS 18 1HB CYS 18 7.285 -4.487 3.846
107 HB3 CYS 18 2HB CYS 18 7.877 -3.031 3.054
108 H GLY 19 H GLY 19 4.603 -4.503 1.660
109 HA2 GLY 19 1HA GLY 19 3.329 -6.473 0.832
110 HA3 GLY 19 2HA GLY 19 4.410 -7.449 1.816
111 H LYS 20 H LYS 20 2.306 -4.599 2.248
112 HA LYS 20 HA LYS 20 1.332 -5.839 4.739
113 HB2 LYS 20 1HB LYS 20 2.680 -3.620 4.818
114 HB3 LYS 20 2HB LYS 20 1.206 -2.887 4.199
115 HG2 LYS 20 1HG LYS 20 0.847 -2.608 6.419
116 HG3 LYS 20 2HG LYS 20 0.133 -4.210 6.224
117 HD2 LYS 20 1HD LYS 20 2.614 -4.980 6.727
118 HD3 LYS 20 2HD LYS 20 2.688 -3.406 7.521
119 HE2 LYS 20 1HE LYS 20 2.049 -5.076 9.133
120 HE3 LYS 20 2HE LYS 20 0.674 -4.017 8.823
121 HZ1 LYS 20 3HZ LYS 20 0.705 -6.271 7.072
122 HZ2 LYS 20 1HZ LYS 20 -0.526 -5.719 8.093
123 HZ3 LYS 20 2HZ LYS 20 0.676 -6.746 8.696
124 H VAL 21 H VAL 21 -0.762 -6.323 4.831
125 HA VAL 21 HA VAL 21 -2.495 -5.479 2.640
126 HB VAL 21 HB VAL 21 -4.116 -7.120 3.689
127 HG11 VAL 21 1HG1 VAL 21 -1.428 -8.141 2.777
128 HG12 VAL 21 2HG1 VAL 21 -2.918 -9.086 2.823
129 HG13 VAL 21 3HG1 VAL 21 -2.786 -7.698 1.743
130 HG21 VAL 21 3HG2 VAL 21 -1.973 -8.516 5.097
131 HG22 VAL 21 1HG2 VAL 21 -2.422 -6.981 5.840
132 HG23 VAL 21 2HG2 VAL 21 -3.644 -8.225 5.578
133 H PHE 22 H PHE 22 -4.733 -4.832 3.120
134 HA PHE 22 HA PHE 22 -5.288 -3.738 5.734
135 HB2 PHE 22 1HB PHE 22 -5.193 -1.843 3.383
136 HB3 PHE 22 2HB PHE 22 -5.499 -1.442 5.070
137 HD1 PHE 22 HD2 PHE 22 -2.943 -2.392 2.620
138 HD2 PHE 22 HD1 PHE 22 -3.704 -1.230 6.643
139 HE1 PHE 22 HE2 PHE 22 -0.541 -1.976 2.950
140 HE2 PHE 22 HE1 PHE 22 -1.303 -0.811 6.980
141 HZ PHE 22 HZ PHE 22 0.282 -1.186 5.133
142 H THR 23 H THR 23 -7.466 -2.590 5.715
143 HA THR 23 HA THR 23 -9.321 -4.262 4.236
144 HB THR 23 HB THR 23 -11.065 -3.233 5.624
145 HG1 THR 23 HG1 THR 23 -9.031 -1.819 7.000
146 HG21 THR 23 3HG2 THR 23 -9.939 -5.162 6.538
147 HG22 THR 23 1HG2 THR 23 -10.244 -4.011 7.838
148 HG23 THR 23 2HG2 THR 23 -8.627 -4.154 7.148
149 H GLN 24 H GLN 24 -8.783 -0.770 4.704
150 HA GLN 24 HA GLN 24 -10.377 -0.259 2.293
151 HB2 GLN 24 1HB GLN 24 -10.735 0.908 4.618
152 HB3 GLN 24 2HB GLN 24 -9.389 1.914 4.098
153 HG2 GLN 24 1HG GLN 24 -10.592 2.696 2.209
154 HG3 GLN 24 2HG GLN 24 -11.871 1.507 2.454
155 HE21 GLN 24 1HE2 GLN 24 -10.208 3.891 4.497
156 HE22 GLN 24 2HE2 GLN 24 -11.649 4.622 5.109
157 H ASN 25 H ASN 25 -9.604 1.326 0.751
158 HA ASN 25 HA ASN 25 -6.950 0.841 -0.062
159 HB2 ASN 25 1HB ASN 25 -7.381 2.625 -1.750
160 HB3 ASN 25 2HB ASN 25 -8.644 1.399 -1.695
161 HD21 ASN 25 1HD2 ASN 25 -8.367 4.435 -2.314
162 HD22 ASN 25 2HD2 ASN 25 -9.762 5.102 -1.544
163 H SER 26 H SER 26 -8.470 3.708 1.390
164 HA SER 26 HA SER 26 -6.349 5.452 1.387
165 HB2 SER 26 1HB SER 26 -8.500 6.191 2.160
166 HB3 SER 26 2HB SER 26 -8.480 5.036 3.493
167 HG SER 26 HG SER 26 -7.324 6.382 4.619
168 H HIS 27 H HIS 27 -7.145 3.136 3.979
169 HA HIS 27 HA HIS 27 -5.100 3.596 5.724
170 HB2 HIS 27 1HB HIS 27 -6.192 0.894 4.914
171 HB3 HIS 27 2HB HIS 27 -5.269 1.218 6.378
172 HD1 HIS 27 HD1 HIS 27 -8.144 0.083 6.488
173 HD2 HIS 27 HD2 HIS 27 -7.192 4.116 6.785
174 HE1 HIS 27 HE1 HIS 27 -10.078 1.142 7.697
175 H LEU 28 H LEU 28 -4.969 1.596 2.799
176 HA LEU 28 HA LEU 28 -2.248 0.826 3.169
177 HB2 LEU 28 1HB LEU 28 -3.522 -0.628 1.859
178 HB3 LEU 28 2HB LEU 28 -4.183 0.684 0.885
179 HG LEU 28 HG LEU 28 -1.857 0.978 -0.066
180 HD11 LEU 28 1HD1 LEU 28 -0.772 -0.314 1.807
181 HD12 LEU 28 2HD1 LEU 28 -0.257 -0.744 0.176
182 HD13 LEU 28 3HD1 LEU 28 -1.393 -1.778 1.043
183 HD21 LEU 28 3HD2 LEU 28 -3.372 -1.587 -0.522
184 HD22 LEU 28 1HD2 LEU 28 -2.091 -0.987 -1.575
185 HD23 LEU 28 2HD2 LEU 28 -3.576 -0.057 -1.375
186 H VAL 29 H VAL 29 -3.779 3.000 0.786
187 HA VAL 29 HA VAL 29 -1.654 4.024 -0.514
188 HB VAL 29 HB VAL 29 -3.955 5.658 0.567
189 HG11 VAL 29 1HG1 VAL 29 -3.405 7.366 -0.894
190 HG12 VAL 29 2HG1 VAL 29 -1.821 6.840 -0.319
191 HG13 VAL 29 3HG1 VAL 29 -2.404 6.322 -1.902
192 HG21 VAL 29 3HG2 VAL 29 -5.182 5.064 -1.294
193 HG22 VAL 29 1HG2 VAL 29 -3.750 4.630 -2.229
194 HG23 VAL 29 2HG2 VAL 29 -4.323 3.563 -0.947
195 H ARG 30 H ARG 30 -2.779 5.141 2.669
196 HA ARG 30 HA ARG 30 -0.843 7.138 3.033
197 HB2 ARG 30 1HB ARG 30 -2.678 5.611 4.808
198 HB3 ARG 30 2HB ARG 30 -1.342 6.463 5.570
199 HG2 ARG 30 1HG ARG 30 -2.093 8.550 4.514
200 HG3 ARG 30 2HG ARG 30 -3.458 7.681 3.808
201 HD2 ARG 30 1HD ARG 30 -3.906 6.986 6.292
202 HD3 ARG 30 2HD ARG 30 -2.933 8.412 6.654
203 HE ARG 30 HE ARG 30 -4.728 9.385 4.916
204 HH11 ARG 30 1HH1 ARG 30 -5.076 7.421 7.769
205 HH12 ARG 30 2HH1 ARG 30 -6.645 8.040 8.163
206 HH21 ARG 30 1HH2 ARG 30 -6.794 10.208 5.424
207 HH22 ARG 30 2HH2 ARG 30 -7.622 9.625 6.828
208 H HIS 31 H HIS 31 -0.900 3.773 4.200
209 HA HIS 31 HA HIS 31 1.459 3.668 5.577
210 HB2 HIS 31 1HB HIS 31 0.323 1.670 5.674
211 HB3 HIS 31 2HB HIS 31 -0.054 1.677 3.953
212 HD1 HIS 31 HD1 HIS 31 2.385 0.415 6.412
213 HD2 HIS 31 HD2 HIS 31 2.078 0.742 2.281
214 HE1 HIS 31 HE1 HIS 31 4.169 -1.095 5.483
215 H ARG 32 H ARG 32 1.088 3.033 2.087
216 HA ARG 32 HA ARG 32 3.593 2.478 1.294
217 HB2 ARG 32 1HB ARG 32 1.541 4.273 0.029
218 HB3 ARG 32 2HB ARG 32 3.090 3.985 -0.753
219 HG2 ARG 32 1HG ARG 32 2.645 1.617 -0.856
220 HG3 ARG 32 2HG ARG 32 1.143 1.832 0.045
221 HD2 ARG 32 1HD ARG 32 0.465 1.680 -2.189
222 HD3 ARG 32 2HD ARG 32 0.447 3.409 -1.841
223 HE ARG 32 HE ARG 32 2.146 3.702 -3.354
224 HH11 ARG 32 1HH1 ARG 32 1.814 0.313 -2.629
225 HH12 ARG 32 2HH1 ARG 32 2.901 -0.194 -3.879
226 HH21 ARG 32 1HH2 ARG 32 3.580 3.047 -5.002
227 HH22 ARG 32 2HH2 ARG 32 3.906 1.361 -5.227
228 H GLY 33 H GLY 33 2.522 5.509 2.608
229 HA2 GLY 33 1HA GLY 33 4.462 7.273 1.723
230 HA3 GLY 33 2HA GLY 33 3.701 7.353 3.306
231 H ILE 34 H ILE 34 4.641 5.090 4.525
232 HA ILE 34 HA ILE 34 6.976 5.786 5.686
233 HB ILE 34 HB ILE 34 7.320 3.506 6.361
234 HG12 ILE 34 1HG1 ILE 34 5.281 2.655 4.301
235 HG13 ILE 34 2HG1 ILE 34 7.018 2.576 4.023
236 HG21 ILE 34 1HG2 ILE 34 4.613 2.997 6.573
237 HG22 ILE 34 2HG2 ILE 34 5.588 3.950 7.690
238 HG23 ILE 34 3HG2 ILE 34 4.698 4.749 6.394
239 HD11 ILE 34 3HD1 ILE 34 6.792 0.489 4.790
240 HD12 ILE 34 1HD1 ILE 34 6.821 1.262 6.375
241 HD13 ILE 34 2HD1 ILE 34 5.280 0.847 5.624
242 H HIS 35 H HIS 35 6.600 4.430 2.515
243 HA HIS 35 HA HIS 35 9.450 3.909 2.230
244 HB2 HIS 35 1HB HIS 35 7.240 3.644 0.181
245 HB3 HIS 35 2HB HIS 35 8.883 3.025 0.034
246 HD1 HIS 35 HD1 HIS 35 9.466 0.882 1.349
247 HD2 HIS 35 HD2 HIS 35 5.526 2.125 1.793
248 HE1 HIS 35 HE1 HIS 35 8.267 -1.052 2.420
249 H THR 36 H THR 36 9.536 6.395 2.739
250 HA THR 36 HA THR 36 9.814 7.748 0.144
251 HB THR 36 HB THR 36 9.141 9.894 1.279
252 HG1 THR 36 HG1 THR 36 8.191 8.077 3.263
253 HG21 THR 36 3HG2 THR 36 7.355 9.390 0.019
254 HG22 THR 36 1HG2 THR 36 6.612 8.836 1.519
255 HG23 THR 36 2HG2 THR 36 7.420 7.683 0.457
256 H GLY 37 H GLY 37 10.586 8.043 3.618
257 HA2 GLY 37 1HA GLY 37 13.179 9.214 2.855
258 HA3 GLY 37 2HA GLY 37 12.406 9.397 4.422
259 H GLU 38 H GLU 38 12.980 8.061 6.027
260 HA GLU 38 HA GLU 38 15.235 6.522 5.985
261 HB2 GLU 38 1HB GLU 38 13.609 7.239 7.941
262 HB3 GLU 38 2HB GLU 38 12.980 5.612 7.719
263 HG2 GLU 38 1HG GLU 38 14.773 5.921 9.476
264 HG3 GLU 38 2HG GLU 38 15.013 4.620 8.311
265 H LYS 39 H LYS 39 15.616 5.019 4.466
266 HA LYS 39 HA LYS 39 13.604 3.219 3.511
267 HB2 LYS 39 1HB LYS 39 15.481 2.175 2.264
268 HB3 LYS 39 2HB LYS 39 15.367 3.912 2.014
269 HG2 LYS 39 1HG LYS 39 17.599 3.761 2.347
270 HG3 LYS 39 2HG LYS 39 17.097 3.922 4.032
271 HD2 LYS 39 1HD LYS 39 17.430 1.671 4.478
272 HD3 LYS 39 2HD LYS 39 17.305 1.213 2.778
273 HE2 LYS 39 1HE LYS 39 19.546 2.952 3.741
274 HE3 LYS 39 2HE LYS 39 19.627 1.199 3.915
275 HZ1 LYS 39 3HZ LYS 39 19.494 2.790 1.427
276 HZ2 LYS 39 1HZ LYS 39 19.106 1.143 1.445
277 HZ3 LYS 39 2HZ LYS 39 20.657 1.652 1.889
278 HA PRO 40 HA PRO 40 13.977 0.046 6.544
279 HB2 PRO 40 1HB PRO 40 13.004 -2.031 5.093
280 HB3 PRO 40 2HB PRO 40 11.977 -0.746 5.739
281 HG2 PRO 40 1HG PRO 40 13.074 -1.085 2.974
282 HG3 PRO 40 2HG PRO 40 11.447 -0.592 3.480
283 HD2 PRO 40 1HD PRO 40 13.321 1.184 2.662
284 HD3 PRO 40 2HD PRO 40 12.096 1.583 3.885
285 H SER 41 H SER 41 15.901 0.303 3.848
286 HA SER 41 HA SER 41 17.858 -0.653 3.190
287 HB2 SER 41 1HB SER 41 17.742 -1.758 6.004
288 HB3 SER 41 2HB SER 41 19.138 -1.928 4.940
289 HG SER 41 HG SER 41 19.679 -0.064 5.748
290 H GLY 42 H GLY 42 15.591 -1.911 2.282
291 HA2 GLY 42 1HA GLY 42 16.568 -4.399 1.439
292 HA3 GLY 42 2HA GLY 42 15.458 -4.680 2.772
293 HA PRO 43 HA PRO 43 13.086 -2.821 -1.064
294 HB2 PRO 43 1HB PRO 43 14.178 -3.573 -3.433
295 HB3 PRO 43 2HB PRO 43 14.590 -2.057 -2.624
296 HG2 PRO 43 1HG PRO 43 16.079 -4.654 -2.652
297 HG3 PRO 43 2HG PRO 43 16.706 -3.003 -2.814
298 HD2 PRO 43 1HD PRO 43 16.829 -4.388 -0.490
299 HD3 PRO 43 2HD PRO 43 16.644 -2.623 -0.541
300 H SER 44 H SER 44 14.251 -5.824 -0.231
301 HA SER 44 HA SER 44 11.867 -7.136 -1.180
302 HB2 SER 44 1HB SER 44 13.462 -7.280 -3.122
303 HB3 SER 44 2HB SER 44 14.538 -8.224 -2.092
304 HG SER 44 HG SER 44 13.208 -9.889 -2.195
305 H SER 45 H SER 45 11.224 -8.052 0.651
306 HA SER 45 HA SER 45 13.149 -9.027 2.589
307 HB2 SER 45 1HB SER 45 10.126 -8.890 2.632
308 HB3 SER 45 2HB SER 45 11.106 -9.497 3.966
309 HG SER 45 HG SER 45 11.721 -6.981 2.920
310 H GLY 46 H GLY 46 10.350 -10.395 0.845
311 HA2 GLY 46 1HA GLY 46 11.234 -12.623 -0.243
312 HA3 GLY 46 2HA GLY 46 11.322 -13.088 1.449
Start of MODEL 13
1 H1 GLY 1 H GLY 1 11.019 -26.854 7.500
2 HA2 GLY 1 1HA GLY 1 10.897 -26.444 5.029
3 HA3 GLY 1 2HA GLY 1 9.740 -25.483 5.938
4 H SER 2 H SER 2 13.244 -25.201 5.346
5 HA SER 2 HA SER 2 13.465 -22.483 5.368
6 HB2 SER 2 1HB SER 2 14.930 -24.568 3.768
7 HB3 SER 2 2HB SER 2 15.340 -22.859 3.618
8 HG SER 2 HG SER 2 16.433 -23.083 5.385
9 H SER 3 H SER 3 13.097 -24.374 2.363
10 HA SER 3 HA SER 3 12.262 -21.988 0.940
11 HB2 SER 3 1HB SER 3 12.883 -24.816 0.126
12 HB3 SER 3 2HB SER 3 12.070 -23.716 -0.988
13 HG SER 3 HG SER 3 14.681 -23.834 -0.298
14 H GLY 4 H GLY 4 10.356 -22.307 -0.640
15 HA2 GLY 4 1HA GLY 4 8.242 -23.774 -0.730
16 HA3 GLY 4 2HA GLY 4 8.093 -23.306 0.958
17 H SER 5 H SER 5 6.266 -22.808 -1.267
18 HA SER 5 HA SER 5 6.287 -19.861 -1.212
19 HB2 SER 5 1HB SER 5 6.696 -20.739 -3.482
20 HB3 SER 5 2HB SER 5 5.188 -21.649 -3.396
21 HG SER 5 HG SER 5 5.593 -18.880 -3.617
22 H SER 6 H SER 6 4.987 -19.655 0.591
23 HA SER 6 HA SER 6 2.201 -20.538 0.231
24 HB2 SER 6 1HB SER 6 2.073 -20.762 2.728
25 HB3 SER 6 2HB SER 6 3.142 -21.934 1.958
26 HG SER 6 HG SER 6 3.846 -19.600 3.395
27 H GLY 7 H GLY 7 0.647 -19.237 1.565
28 HA2 GLY 7 1HA GLY 7 1.570 -16.438 1.785
29 HA3 GLY 7 2HA GLY 7 0.025 -16.859 1.060
30 H THR 8 H THR 8 1.139 -15.424 3.634
31 HA THR 8 HA THR 8 -0.613 -16.782 5.565
32 HB THR 8 HB THR 8 1.746 -16.406 6.260
33 HG1 THR 8 HG1 THR 8 1.077 -15.245 8.273
34 HG21 THR 8 3HG2 THR 8 2.760 -14.440 5.992
35 HG22 THR 8 1HG2 THR 8 1.499 -13.616 6.909
36 HG23 THR 8 2HG2 THR 8 1.315 -13.852 5.171
37 H GLY 9 H GLY 9 -1.836 -15.268 3.552
38 HA2 GLY 9 1HA GLY 9 -3.556 -13.632 5.040
39 HA3 GLY 9 2HA GLY 9 -2.366 -12.595 4.267
40 H GLU 10 H GLU 10 -5.337 -13.023 3.891
41 HA GLU 10 HA GLU 10 -5.235 -13.435 0.976
42 HB2 GLU 10 1HB GLU 10 -6.358 -15.336 1.996
43 HB3 GLU 10 2HB GLU 10 -7.433 -14.260 2.879
44 HG2 GLU 10 1HG GLU 10 -8.509 -15.283 0.929
45 HG3 GLU 10 2HG GLU 10 -8.458 -13.524 0.829
46 H LYS 11 H LYS 11 -4.945 -11.141 0.806
47 HA LYS 11 HA LYS 11 -7.494 -9.705 0.964
48 HB2 LYS 11 1HB LYS 11 -5.741 -9.237 2.897
49 HB3 LYS 11 2HB LYS 11 -5.010 -8.209 1.672
50 HG2 LYS 11 1HG LYS 11 -6.482 -6.906 3.060
51 HG3 LYS 11 2HG LYS 11 -7.148 -7.015 1.429
52 HD2 LYS 11 1HD LYS 11 -8.745 -8.654 2.113
53 HD3 LYS 11 2HD LYS 11 -7.977 -8.824 3.693
54 HE2 LYS 11 1HE LYS 11 -9.078 -6.191 2.775
55 HE3 LYS 11 2HE LYS 11 -10.122 -7.408 3.508
56 HZ1 LYS 11 3HZ LYS 11 -8.570 -7.413 5.430
57 HZ2 LYS 11 1HZ LYS 11 -9.382 -5.945 5.210
58 HZ3 LYS 11 2HZ LYS 11 -7.764 -6.096 4.740
59 HA PRO 12 HA PRO 12 -6.360 -8.651 -3.176
60 HB2 PRO 12 1HB PRO 12 -8.234 -6.729 -3.583
61 HB3 PRO 12 2HB PRO 12 -8.615 -8.455 -3.571
62 HG2 PRO 12 1HG PRO 12 -8.952 -6.425 -1.396
63 HG3 PRO 12 2HG PRO 12 -10.063 -7.708 -1.911
64 HD2 PRO 12 1HD PRO 12 -8.471 -7.946 0.266
65 HD3 PRO 12 2HD PRO 12 -8.925 -9.336 -0.742
66 H TYR 13 H TYR 13 -6.117 -6.600 -0.475
67 HA TYR 13 HA TYR 13 -4.682 -4.581 -2.073
68 HB2 TYR 13 1HB TYR 13 -6.222 -4.273 0.507
69 HB3 TYR 13 2HB TYR 13 -5.155 -3.030 -0.137
70 HD1 TYR 13 HD1 TYR 13 -5.756 -1.802 -2.164
71 HD2 TYR 13 HD2 TYR 13 -8.365 -4.729 -0.512
72 HE1 TYR 13 HE1 TYR 13 -7.596 -0.931 -3.543
73 HE2 TYR 13 HE2 TYR 13 -10.212 -3.867 -1.888
74 HH TYR 13 HH TYR 13 -10.477 -1.137 -3.109
75 H LYS 14 H LYS 14 -2.566 -4.873 -1.901
76 HA LYS 14 HA LYS 14 -1.399 -5.208 0.760
77 HB2 LYS 14 1HB LYS 14 -1.670 -7.442 -0.546
78 HB3 LYS 14 2HB LYS 14 -0.334 -6.844 -1.522
79 HG2 LYS 14 1HG LYS 14 1.031 -6.641 0.518
80 HG3 LYS 14 2HG LYS 14 -0.304 -7.321 1.452
81 HD2 LYS 14 1HD LYS 14 -0.176 -9.386 0.189
82 HD3 LYS 14 2HD LYS 14 1.083 -8.705 -0.844
83 HE2 LYS 14 1HE LYS 14 2.371 -9.883 0.635
84 HE3 LYS 14 2HE LYS 14 2.298 -8.327 1.461
85 HZ1 LYS 14 3HZ LYS 14 1.741 -9.729 3.151
86 HZ2 LYS 14 1HZ LYS 14 0.983 -10.855 2.141
87 HZ3 LYS 14 2HZ LYS 14 0.195 -9.413 2.541
88 H CYS 15 H CYS 15 0.499 -4.141 1.050
89 HA CYS 15 HA CYS 15 1.217 -2.139 -0.828
90 HB2 CYS 15 1HB CYS 15 1.479 -1.924 1.645
91 HB3 CYS 15 2HB CYS 15 2.795 -3.091 1.571
92 H ASN 16 H ASN 16 2.381 -2.387 -2.606
93 HA ASN 16 HA ASN 16 3.981 -4.759 -3.011
94 HB2 ASN 16 1HB ASN 16 3.805 -2.422 -4.903
95 HB3 ASN 16 2HB ASN 16 4.116 -4.114 -5.278
96 HD21 ASN 16 1HD2 ASN 16 2.420 -5.537 -5.444
97 HD22 ASN 16 2HD2 ASN 16 0.770 -5.028 -5.495
98 H GLU 17 H GLU 17 4.931 -3.080 -0.935
99 HA GLU 17 HA GLU 17 7.545 -2.339 -2.060
100 HB2 GLU 17 1HB GLU 17 6.029 -0.798 0.054
101 HB3 GLU 17 2HB GLU 17 7.663 -0.444 -0.490
102 HG2 GLU 17 1HG GLU 17 5.447 -0.523 -2.479
103 HG3 GLU 17 2HG GLU 17 5.630 0.885 -1.434
104 H CYS 18 H CYS 18 5.724 -3.162 0.870
105 HA CYS 18 HA CYS 18 8.173 -4.407 1.939
106 HB2 CYS 18 1HB CYS 18 7.186 -4.008 4.205
107 HB3 CYS 18 2HB CYS 18 7.593 -2.533 3.333
108 H GLY 19 H GLY 19 4.621 -4.590 1.903
109 HA2 GLY 19 1HA GLY 19 3.676 -6.768 1.224
110 HA3 GLY 19 2HA GLY 19 4.886 -7.513 2.257
111 H LYS 20 H LYS 20 2.196 -5.186 2.413
112 HA LYS 20 HA LYS 20 1.231 -6.549 4.809
113 HB2 LYS 20 1HB LYS 20 2.734 -4.425 5.264
114 HB3 LYS 20 2HB LYS 20 1.259 -3.561 4.852
115 HG2 LYS 20 1HG LYS 20 0.067 -4.790 6.614
116 HG3 LYS 20 2HG LYS 20 1.575 -5.601 7.045
117 HD2 LYS 20 1HD LYS 20 2.584 -3.497 7.655
118 HD3 LYS 20 2HD LYS 20 1.168 -2.611 7.085
119 HE2 LYS 20 1HE LYS 20 0.971 -4.688 9.244
120 HE3 LYS 20 2HE LYS 20 1.399 -3.016 9.605
121 HZ1 LYS 20 3HZ LYS 20 -1.028 -3.689 8.059
122 HZ2 LYS 20 1HZ LYS 20 -0.668 -2.257 8.885
123 HZ3 LYS 20 2HZ LYS 20 -1.040 -3.662 9.750
124 H VAL 21 H VAL 21 -0.929 -6.741 4.846
125 HA VAL 21 HA VAL 21 -2.437 -5.507 2.671
126 HB VAL 21 HB VAL 21 -4.256 -7.057 3.349
127 HG11 VAL 21 1HG1 VAL 21 -2.758 -7.750 1.608
128 HG12 VAL 21 2HG1 VAL 21 -1.557 -8.279 2.788
129 HG13 VAL 21 3HG1 VAL 21 -3.091 -9.138 2.642
130 HG21 VAL 21 3HG2 VAL 21 -4.191 -8.358 5.189
131 HG22 VAL 21 1HG2 VAL 21 -2.460 -8.659 5.042
132 HG23 VAL 21 2HG2 VAL 21 -3.035 -7.155 5.761
133 H PHE 22 H PHE 22 -4.592 -4.628 3.101
134 HA PHE 22 HA PHE 22 -5.014 -3.615 5.809
135 HB2 PHE 22 1HB PHE 22 -4.887 -1.838 3.363
136 HB3 PHE 22 2HB PHE 22 -5.395 -1.322 4.967
137 HD1 PHE 22 HD2 PHE 22 -2.536 -2.534 2.979
138 HD2 PHE 22 HD1 PHE 22 -3.817 -0.779 6.639
139 HE1 PHE 22 HE2 PHE 22 -0.198 -2.022 3.549
140 HE2 PHE 22 HE1 PHE 22 -1.481 -0.263 7.214
141 HZ PHE 22 HZ PHE 22 0.332 -0.886 5.668
142 H THR 23 H THR 23 -7.172 -2.525 6.005
143 HA THR 23 HA THR 23 -9.152 -4.148 4.637
144 HB THR 23 HB THR 23 -9.419 -3.894 7.028
145 HG1 THR 23 HG1 THR 23 -11.540 -3.620 6.876
146 HG21 THR 23 3HG2 THR 23 -9.136 -1.977 8.148
147 HG22 THR 23 1HG2 THR 23 -10.199 -1.089 7.057
148 HG23 THR 23 2HG2 THR 23 -8.500 -1.317 6.641
149 H GLN 24 H GLN 24 -8.168 -0.776 4.842
150 HA GLN 24 HA GLN 24 -10.078 -0.157 2.684
151 HB2 GLN 24 1HB GLN 24 -9.320 1.350 5.133
152 HB3 GLN 24 2HB GLN 24 -9.614 2.283 3.671
153 HG2 GLN 24 1HG GLN 24 -11.708 2.284 4.529
154 HG3 GLN 24 2HG GLN 24 -11.794 0.794 3.592
155 HE21 GLN 24 1HE2 GLN 24 -12.791 -0.751 4.646
156 HE22 GLN 24 2HE2 GLN 24 -12.704 -1.054 6.345
157 H ASN 25 H ASN 25 -9.342 0.940 0.912
158 HA ASN 25 HA ASN 25 -6.668 0.690 0.173
159 HB2 ASN 25 1HB ASN 25 -8.297 0.894 -1.550
160 HB3 ASN 25 2HB ASN 25 -8.887 2.425 -0.909
161 HD21 ASN 25 1HD2 ASN 25 -8.339 4.069 -2.123
162 HD22 ASN 25 2HD2 ASN 25 -6.857 4.251 -2.993
163 H SER 26 H SER 26 -8.430 3.524 1.380
164 HA SER 26 HA SER 26 -6.558 5.494 1.125
165 HB2 SER 26 1HB SER 26 -8.497 4.960 3.376
166 HB3 SER 26 2HB SER 26 -7.515 6.423 3.301
167 HG SER 26 HG SER 26 -8.461 6.735 1.165
168 H HIS 27 H HIS 27 -6.798 3.183 3.819
169 HA HIS 27 HA HIS 27 -4.670 4.082 5.348
170 HB2 HIS 27 1HB HIS 27 -5.876 1.357 4.956
171 HB3 HIS 27 2HB HIS 27 -4.491 1.585 6.020
172 HD1 HIS 27 HD1 HIS 27 -5.513 1.327 8.280
173 HD2 HIS 27 HD2 HIS 27 -7.678 3.918 5.860
174 HE1 HIS 27 HE1 HIS 27 -7.279 2.320 9.769
175 H LEU 28 H LEU 28 -4.581 1.440 2.950
176 HA LEU 28 HA LEU 28 -1.845 0.986 3.002
177 HB2 LEU 28 1HB LEU 28 -3.298 -0.546 1.893
178 HB3 LEU 28 2HB LEU 28 -3.841 0.697 0.768
179 HG LEU 28 HG LEU 28 -1.573 0.731 -0.225
180 HD11 LEU 28 1HD1 LEU 28 -0.534 -0.206 1.931
181 HD12 LEU 28 2HD1 LEU 28 0.109 -0.756 0.384
182 HD13 LEU 28 3HD1 LEU 28 -0.996 -1.785 1.296
183 HD21 LEU 28 3HD2 LEU 28 -1.858 -1.221 -1.522
184 HD22 LEU 28 1HD2 LEU 28 -3.479 -0.716 -1.044
185 HD23 LEU 28 2HD2 LEU 28 -2.694 -2.060 -0.214
186 H VAL 29 H VAL 29 -3.676 3.104 0.800
187 HA VAL 29 HA VAL 29 -1.659 4.074 -0.773
188 HB VAL 29 HB VAL 29 -3.958 5.672 0.364
189 HG11 VAL 29 1HG1 VAL 29 -2.642 6.255 -2.251
190 HG12 VAL 29 2HG1 VAL 29 -3.563 7.324 -1.191
191 HG13 VAL 29 3HG1 VAL 29 -1.918 6.855 -0.760
192 HG21 VAL 29 3HG2 VAL 29 -3.905 4.499 -2.380
193 HG22 VAL 29 1HG2 VAL 29 -4.316 3.471 -1.007
194 HG23 VAL 29 2HG2 VAL 29 -5.283 4.904 -1.356
195 H ARG 30 H ARG 30 -2.722 5.495 2.321
196 HA ARG 30 HA ARG 30 -0.694 7.454 2.422
197 HB2 ARG 30 1HB ARG 30 -2.568 6.266 4.436
198 HB3 ARG 30 2HB ARG 30 -1.280 7.338 4.969
199 HG2 ARG 30 1HG ARG 30 -2.139 9.141 3.672
200 HG3 ARG 30 2HG ARG 30 -3.299 8.082 2.868
201 HD2 ARG 30 1HD ARG 30 -4.488 9.310 4.524
202 HD3 ARG 30 2HD ARG 30 -4.328 7.655 5.110
203 HE ARG 30 HE ARG 30 -2.260 9.435 6.030
204 HH11 ARG 30 1HH1 ARG 30 -5.447 8.170 6.633
205 HH12 ARG 30 2HH1 ARG 30 -5.398 8.499 8.333
206 HH21 ARG 30 1HH2 ARG 30 -2.184 9.873 8.267
207 HH22 ARG 30 2HH2 ARG 30 -3.542 9.469 9.261
208 H HIS 31 H HIS 31 -0.954 4.232 3.889
209 HA HIS 31 HA HIS 31 1.262 4.143 5.471
210 HB2 HIS 31 1HB HIS 31 0.069 2.174 5.536
211 HB3 HIS 31 2HB HIS 31 -0.115 2.102 3.786
212 HD1 HIS 31 HD1 HIS 31 2.209 1.154 6.551
213 HD2 HIS 31 HD2 HIS 31 1.970 0.824 2.417
214 HE1 HIS 31 HE1 HIS 31 4.003 -0.485 5.903
215 H ARG 32 H ARG 32 1.240 3.265 2.011
216 HA ARG 32 HA ARG 32 3.786 2.661 1.487
217 HB2 ARG 32 1HB ARG 32 1.838 4.340 -0.033
218 HB3 ARG 32 2HB ARG 32 3.484 4.201 -0.637
219 HG2 ARG 32 1HG ARG 32 3.283 1.909 -1.009
220 HG3 ARG 32 2HG ARG 32 1.870 1.771 0.039
221 HD2 ARG 32 1HD ARG 32 0.963 1.649 -2.098
222 HD3 ARG 32 2HD ARG 32 0.730 3.340 -1.654
223 HE ARG 32 HE ARG 32 3.168 3.157 -2.978
224 HH11 ARG 32 1HH1 ARG 32 -0.211 2.671 -3.660
225 HH12 ARG 32 2HH1 ARG 32 -0.066 3.083 -5.337
226 HH21 ARG 32 1HH2 ARG 32 3.372 3.701 -5.184
227 HH22 ARG 32 2HH2 ARG 32 1.973 3.667 -6.203
228 H GLY 33 H GLY 33 2.641 5.843 2.393
229 HA2 GLY 33 1HA GLY 33 4.646 7.534 1.687
230 HA3 GLY 33 2HA GLY 33 3.830 7.632 3.240
231 H ILE 34 H ILE 34 4.713 5.395 4.528
232 HA ILE 34 HA ILE 34 7.024 6.099 5.743
233 HB ILE 34 HB ILE 34 7.345 3.786 6.428
234 HG12 ILE 34 1HG1 ILE 34 5.195 3.058 4.431
235 HG13 ILE 34 2HG1 ILE 34 6.915 2.812 4.151
236 HG21 ILE 34 1HG2 ILE 34 4.832 3.330 7.039
237 HG22 ILE 34 2HG2 ILE 34 5.698 4.700 7.733
238 HG23 ILE 34 3HG2 ILE 34 4.604 4.946 6.373
239 HD11 ILE 34 3HD1 ILE 34 6.954 1.383 6.198
240 HD12 ILE 34 1HD1 ILE 34 5.196 1.509 6.241
241 HD13 ILE 34 2HD1 ILE 34 5.993 0.748 4.863
242 H HIS 35 H HIS 35 6.727 4.408 2.683
243 HA HIS 35 HA HIS 35 9.517 3.796 2.457
244 HB2 HIS 35 1HB HIS 35 7.392 3.869 0.305
245 HB3 HIS 35 2HB HIS 35 8.976 3.111 0.174
246 HD1 HIS 35 HD1 HIS 35 9.148 0.729 0.908
247 HD2 HIS 35 HD2 HIS 35 5.650 2.543 2.228
248 HE1 HIS 35 HE1 HIS 35 7.780 -1.115 1.934
249 H THR 36 H THR 36 7.368 6.189 0.936
250 HA THR 36 HA THR 36 9.600 7.531 -0.322
251 HB THR 36 HB THR 36 7.923 9.107 -1.182
252 HG1 THR 36 HG1 THR 36 6.552 8.582 0.871
253 HG21 THR 36 3HG2 THR 36 6.582 6.500 -1.605
254 HG22 THR 36 1HG2 THR 36 8.298 6.586 -2.003
255 HG23 THR 36 2HG2 THR 36 7.155 7.683 -2.781
256 H GLY 37 H GLY 37 9.850 7.452 2.476
257 HA2 GLY 37 1HA GLY 37 9.024 10.031 3.517
258 HA3 GLY 37 2HA GLY 37 9.929 8.796 4.380
259 H GLU 38 H GLU 38 11.328 10.443 5.173
260 HA GLU 38 HA GLU 38 13.056 11.722 3.182
261 HB2 GLU 38 1HB GLU 38 12.005 13.097 4.992
262 HB3 GLU 38 2HB GLU 38 12.955 12.195 6.164
263 HG2 GLU 38 1HG GLU 38 14.204 14.106 5.859
264 HG3 GLU 38 2HG GLU 38 14.984 12.958 4.772
265 H LYS 39 H LYS 39 14.951 10.851 2.709
266 HA LYS 39 HA LYS 39 16.786 9.500 2.776
267 HB2 LYS 39 1HB LYS 39 16.647 10.600 5.569
268 HB3 LYS 39 2HB LYS 39 17.927 9.488 5.104
269 HG2 LYS 39 1HG LYS 39 17.353 12.043 3.628
270 HG3 LYS 39 2HG LYS 39 18.497 11.927 4.967
271 HD2 LYS 39 1HD LYS 39 18.714 10.058 2.641
272 HD3 LYS 39 2HD LYS 39 19.349 11.700 2.518
273 HE2 LYS 39 1HE LYS 39 21.175 10.435 3.240
274 HE3 LYS 39 2HE LYS 39 20.567 11.189 4.713
275 HZ1 LYS 39 3HZ LYS 39 19.451 8.587 4.071
276 HZ2 LYS 39 1HZ LYS 39 19.935 9.221 5.563
277 HZ3 LYS 39 2HZ LYS 39 21.088 8.592 4.498
278 HA PRO 40 HA PRO 40 14.240 6.053 4.768
279 HB2 PRO 40 1HB PRO 40 13.479 4.841 2.461
280 HB3 PRO 40 2HB PRO 40 12.532 6.119 3.233
281 HG2 PRO 40 1HG PRO 40 14.436 6.300 0.929
282 HG3 PRO 40 2HG PRO 40 12.846 7.061 1.130
283 HD2 PRO 40 1HD PRO 40 15.165 8.399 1.538
284 HD3 PRO 40 2HD PRO 40 13.684 8.753 2.451
285 H SER 41 H SER 41 14.715 3.751 4.639
286 HA SER 41 HA SER 41 17.498 3.270 4.201
287 HB2 SER 41 1HB SER 41 15.187 1.674 5.220
288 HB3 SER 41 2HB SER 41 16.633 0.811 4.697
289 HG SER 41 HG SER 41 17.634 1.483 6.418
290 H GLY 42 H GLY 42 18.485 1.915 2.703
291 HA2 GLY 42 1HA GLY 42 16.947 1.554 0.231
292 HA3 GLY 42 2HA GLY 42 18.699 1.567 0.362
293 HA PRO 43 HA PRO 43 16.756 -2.819 0.489
294 HB2 PRO 43 1HB PRO 43 16.919 -3.489 -2.137
295 HB3 PRO 43 2HB PRO 43 15.481 -2.750 -1.421
296 HG2 PRO 43 1HG PRO 43 17.681 -1.473 -3.000
297 HG3 PRO 43 2HG PRO 43 15.930 -1.214 -3.108
298 HD2 PRO 43 1HD PRO 43 17.576 0.486 -1.792
299 HD3 PRO 43 2HD PRO 43 15.900 0.196 -1.285
300 H SER 44 H SER 44 19.214 -1.720 -1.856
301 HA SER 44 HA SER 44 21.287 -2.521 -2.372
302 HB2 SER 44 1HB SER 44 21.768 -1.536 -0.176
303 HB3 SER 44 2HB SER 44 21.326 -3.052 0.610
304 HG SER 44 HG SER 44 23.689 -2.375 -0.252
305 H SER 45 H SER 45 19.296 -4.359 -2.905
306 HA SER 45 HA SER 45 20.054 -6.934 -1.832
307 HB2 SER 45 1HB SER 45 17.683 -6.228 -2.502
308 HB3 SER 45 2HB SER 45 18.206 -6.460 -4.170
309 HG SER 45 HG SER 45 18.728 -8.521 -2.372
310 H GLY 46 H GLY 46 21.599 -8.197 -2.620
311 HA2 GLY 46 1HA GLY 46 22.444 -7.776 -5.422
312 HA3 GLY 46 2HA GLY 46 23.584 -8.097 -4.124
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -8.030 -34.642 7.747
2 HA2 GLY 1 1HA GLY 1 -6.633 -32.888 6.800
3 HA3 GLY 1 2HA GLY 1 -8.051 -32.312 5.935
4 H SER 2 H SER 2 -9.930 -31.700 7.446
5 HA SER 2 HA SER 2 -10.731 -30.220 8.977
6 HB2 SER 2 1HB SER 2 -8.492 -31.281 10.717
7 HB3 SER 2 2HB SER 2 -9.943 -30.447 11.271
8 HG SER 2 HG SER 2 -10.293 -32.714 9.691
9 H SER 3 H SER 3 -8.968 -29.162 7.088
10 HA SER 3 HA SER 3 -7.207 -27.339 8.530
11 HB2 SER 3 1HB SER 3 -6.407 -26.669 6.315
12 HB3 SER 3 2HB SER 3 -6.375 -28.425 6.474
13 HG SER 3 HG SER 3 -7.290 -27.920 4.505
14 H GLY 4 H GLY 4 -9.972 -27.200 6.297
15 HA2 GLY 4 1HA GLY 4 -11.760 -25.613 6.926
16 HA3 GLY 4 2HA GLY 4 -10.483 -24.461 7.285
17 H SER 5 H SER 5 -12.823 -25.011 5.167
18 HA SER 5 HA SER 5 -11.466 -24.690 2.669
19 HB2 SER 5 1HB SER 5 -14.379 -24.200 3.336
20 HB3 SER 5 2HB SER 5 -13.698 -24.393 1.720
21 HG SER 5 HG SER 5 -14.652 -26.327 2.577
22 H SER 6 H SER 6 -10.666 -22.888 1.832
23 HA SER 6 HA SER 6 -10.011 -20.692 1.728
24 HB2 SER 6 1HB SER 6 -11.803 -19.193 1.076
25 HB3 SER 6 2HB SER 6 -12.102 -20.780 0.368
26 HG SER 6 HG SER 6 -13.736 -19.394 1.860
27 H GLY 7 H GLY 7 -9.903 -21.603 4.355
28 HA2 GLY 7 1HA GLY 7 -11.260 -20.143 6.283
29 HA3 GLY 7 2HA GLY 7 -9.629 -20.770 6.477
30 H THR 8 H THR 8 -7.991 -19.382 5.069
31 HA THR 8 HA THR 8 -8.621 -16.538 5.236
32 HB THR 8 HB THR 8 -6.209 -17.710 6.636
33 HG1 THR 8 HG1 THR 8 -8.371 -16.353 7.870
34 HG21 THR 8 3HG2 THR 8 -6.784 -15.040 7.406
35 HG22 THR 8 1HG2 THR 8 -6.758 -15.096 5.644
36 HG23 THR 8 2HG2 THR 8 -5.361 -15.653 6.565
37 H GLY 9 H GLY 9 -8.260 -16.006 3.162
38 HA2 GLY 9 1HA GLY 9 -6.041 -17.178 1.695
39 HA3 GLY 9 2HA GLY 9 -7.262 -16.090 1.051
40 H GLU 10 H GLU 10 -6.556 -14.145 0.506
41 HA GLU 10 HA GLU 10 -4.586 -12.783 2.148
42 HB2 GLU 10 1HB GLU 10 -4.096 -13.353 -0.780
43 HB3 GLU 10 2HB GLU 10 -3.126 -12.278 0.217
44 HG2 GLU 10 1HG GLU 10 -3.505 -15.190 0.843
45 HG3 GLU 10 2HG GLU 10 -2.194 -14.581 -0.165
46 H LYS 11 H LYS 11 -4.958 -10.651 2.233
47 HA LYS 11 HA LYS 11 -7.272 -9.540 1.086
48 HB2 LYS 11 1HB LYS 11 -5.983 -8.798 3.183
49 HB3 LYS 11 2HB LYS 11 -4.941 -7.912 2.078
50 HG2 LYS 11 1HG LYS 11 -6.552 -6.382 2.882
51 HG3 LYS 11 2HG LYS 11 -6.999 -6.762 1.217
52 HD2 LYS 11 1HD LYS 11 -8.593 -8.470 2.139
53 HD3 LYS 11 2HD LYS 11 -8.247 -7.826 3.746
54 HE2 LYS 11 1HE LYS 11 -9.185 -5.729 3.216
55 HE3 LYS 11 2HE LYS 11 -9.193 -6.082 1.488
56 HZ1 LYS 11 3HZ LYS 11 -10.729 -8.052 2.436
57 HZ2 LYS 11 1HZ LYS 11 -11.332 -6.573 1.879
58 HZ3 LYS 11 2HZ LYS 11 -11.102 -6.822 3.535
59 HA PRO 12 HA PRO 12 -5.850 -8.500 -2.965
60 HB2 PRO 12 1HB PRO 12 -7.841 -6.772 -3.618
61 HB3 PRO 12 2HB PRO 12 -8.066 -8.525 -3.573
62 HG2 PRO 12 1HG PRO 12 -8.788 -6.469 -1.520
63 HG3 PRO 12 2HG PRO 12 -9.726 -7.865 -2.085
64 HD2 PRO 12 1HD PRO 12 -8.334 -7.888 0.238
65 HD3 PRO 12 2HD PRO 12 -8.564 -9.344 -0.753
66 H TYR 13 H TYR 13 -5.876 -6.446 -0.311
67 HA TYR 13 HA TYR 13 -4.579 -4.300 -1.861
68 HB2 TYR 13 1HB TYR 13 -6.460 -4.180 0.467
69 HB3 TYR 13 2HB TYR 13 -5.268 -2.902 0.251
70 HD1 TYR 13 HD2 TYR 13 -7.450 -4.804 -2.119
71 HD2 TYR 13 HD1 TYR 13 -6.268 -1.009 -0.601
72 HE1 TYR 13 HE2 TYR 13 -8.937 -3.701 -3.739
73 HE2 TYR 13 HE1 TYR 13 -7.752 0.105 -2.216
74 HH TYR 13 HH TYR 13 -9.000 -1.346 -4.871
75 H LYS 14 H LYS 14 -2.522 -5.217 -1.632
76 HA LYS 14 HA LYS 14 -1.419 -5.038 1.094
77 HB2 LYS 14 1HB LYS 14 -1.651 -7.398 0.160
78 HB3 LYS 14 2HB LYS 14 -0.416 -6.952 -1.011
79 HG2 LYS 14 1HG LYS 14 1.235 -6.763 0.618
80 HG3 LYS 14 2HG LYS 14 0.059 -6.634 1.928
81 HD2 LYS 14 1HD LYS 14 0.848 -8.806 2.155
82 HD3 LYS 14 2HD LYS 14 -0.634 -9.026 1.221
83 HE2 LYS 14 1HE LYS 14 1.917 -8.612 -0.252
84 HE3 LYS 14 2HE LYS 14 1.644 -10.174 0.517
85 HZ1 LYS 14 3HZ LYS 14 -0.532 -10.225 -0.684
86 HZ2 LYS 14 1HZ LYS 14 0.830 -10.324 -1.682
87 HZ3 LYS 14 2HZ LYS 14 -0.023 -8.869 -1.558
88 H CYS 15 H CYS 15 0.766 -4.345 1.258
89 HA CYS 15 HA CYS 15 1.491 -2.437 -0.788
90 HB2 CYS 15 1HB CYS 15 1.655 -1.956 1.671
91 HB3 CYS 15 2HB CYS 15 2.978 -3.114 1.755
92 H ASN 16 H ASN 16 2.588 -3.068 -2.520
93 HA ASN 16 HA ASN 16 4.058 -5.488 -2.663
94 HB2 ASN 16 1HB ASN 16 2.931 -4.037 -4.547
95 HB3 ASN 16 2HB ASN 16 4.508 -3.255 -4.606
96 HD21 ASN 16 1HD2 ASN 16 4.673 -4.061 -6.758
97 HD22 ASN 16 2HD2 ASN 16 5.150 -5.698 -7.042
98 H GLU 17 H GLU 17 4.842 -2.374 -1.527
99 HA GLU 17 HA GLU 17 7.621 -2.349 -2.093
100 HB2 GLU 17 1HB GLU 17 6.245 -0.970 0.212
101 HB3 GLU 17 2HB GLU 17 7.760 -0.515 -0.554
102 HG2 GLU 17 1HG GLU 17 5.190 -0.556 -2.088
103 HG3 GLU 17 2HG GLU 17 5.662 0.835 -1.113
104 H CYS 18 H CYS 18 5.820 -3.134 0.880
105 HA CYS 18 HA CYS 18 8.180 -4.642 1.797
106 HB2 CYS 18 1HB CYS 18 7.297 -4.257 4.108
107 HB3 CYS 18 2HB CYS 18 7.797 -2.788 3.278
108 H GLY 19 H GLY 19 4.624 -4.542 1.952
109 HA2 GLY 19 1HA GLY 19 3.516 -6.639 1.186
110 HA3 GLY 19 2HA GLY 19 4.669 -7.487 2.206
111 H LYS 20 H LYS 20 2.384 -4.769 2.562
112 HA LYS 20 HA LYS 20 1.382 -6.081 5.004
113 HB2 LYS 20 1HB LYS 20 2.802 -3.884 5.198
114 HB3 LYS 20 2HB LYS 20 1.311 -3.103 4.686
115 HG2 LYS 20 1HG LYS 20 0.138 -3.946 6.592
116 HG3 LYS 20 2HG LYS 20 1.518 -4.942 7.060
117 HD2 LYS 20 1HD LYS 20 2.799 -3.064 7.670
118 HD3 LYS 20 2HD LYS 20 1.714 -1.951 6.834
119 HE2 LYS 20 1HE LYS 20 -0.046 -2.453 8.459
120 HE3 LYS 20 2HE LYS 20 1.037 -3.568 9.290
121 HZ1 LYS 20 3HZ LYS 20 0.750 -1.058 10.030
122 HZ2 LYS 20 1HZ LYS 20 1.992 -0.840 8.902
123 HZ3 LYS 20 2HZ LYS 20 2.213 -1.888 10.211
124 H VAL 21 H VAL 21 -0.749 -6.424 5.087
125 HA VAL 21 HA VAL 21 -2.390 -5.451 2.879
126 HB VAL 21 HB VAL 21 -4.100 -7.038 3.767
127 HG11 VAL 21 1HG1 VAL 21 -3.207 -8.765 2.601
128 HG12 VAL 21 2HG1 VAL 21 -2.014 -7.538 2.167
129 HG13 VAL 21 3HG1 VAL 21 -1.667 -8.690 3.456
130 HG21 VAL 21 3HG2 VAL 21 -3.917 -7.841 5.829
131 HG22 VAL 21 1HG2 VAL 21 -2.429 -8.670 5.371
132 HG23 VAL 21 2HG2 VAL 21 -2.362 -7.032 6.020
133 H PHE 22 H PHE 22 -4.535 -4.598 3.273
134 HA PHE 22 HA PHE 22 -5.031 -3.489 5.922
135 HB2 PHE 22 1HB PHE 22 -4.905 -1.745 3.453
136 HB3 PHE 22 2HB PHE 22 -5.345 -1.219 5.075
137 HD1 PHE 22 HD2 PHE 22 -2.568 -2.571 3.038
138 HD2 PHE 22 HD1 PHE 22 -3.708 -0.585 6.626
139 HE1 PHE 22 HE2 PHE 22 -0.204 -2.084 3.516
140 HE2 PHE 22 HE1 PHE 22 -1.346 -0.094 7.109
141 HZ PHE 22 HZ PHE 22 0.410 -0.845 5.553
142 H THR 23 H THR 23 -7.197 -2.309 5.938
143 HA THR 23 HA THR 23 -9.119 -3.997 4.537
144 HB THR 23 HB THR 23 -10.792 -3.072 6.059
145 HG1 THR 23 HG1 THR 23 -9.976 -0.975 6.330
146 HG21 THR 23 3HG2 THR 23 -9.798 -4.945 7.010
147 HG22 THR 23 1HG2 THR 23 -9.592 -3.726 8.267
148 HG23 THR 23 2HG2 THR 23 -8.242 -4.142 7.211
149 H GLN 24 H GLN 24 -8.457 -0.541 5.044
150 HA GLN 24 HA GLN 24 -10.272 0.090 2.826
151 HB2 GLN 24 1HB GLN 24 -10.638 1.274 4.966
152 HB3 GLN 24 2HB GLN 24 -9.014 1.941 4.858
153 HG2 GLN 24 1HG GLN 24 -9.571 3.268 2.997
154 HG3 GLN 24 2HG GLN 24 -11.081 2.397 2.732
155 HE21 GLN 24 1HE2 GLN 24 -12.758 3.604 3.209
156 HE22 GLN 24 2HE2 GLN 24 -12.881 4.711 4.529
157 H ASN 25 H ASN 25 -9.608 1.479 1.135
158 HA ASN 25 HA ASN 25 -7.013 0.975 0.152
159 HB2 ASN 25 1HB ASN 25 -7.600 2.490 -1.669
160 HB3 ASN 25 2HB ASN 25 -8.955 1.426 -1.305
161 HD21 ASN 25 1HD2 ASN 25 -7.788 4.659 -1.340
162 HD22 ASN 25 2HD2 ASN 25 -9.272 5.431 -0.907
163 H SER 26 H SER 26 -8.484 3.940 1.459
164 HA SER 26 HA SER 26 -6.290 5.625 1.205
165 HB2 SER 26 1HB SER 26 -8.461 6.508 1.802
166 HB3 SER 26 2HB SER 26 -8.464 5.595 3.310
167 HG SER 26 HG SER 26 -6.290 7.257 2.938
168 H HIS 27 H HIS 27 -6.898 3.075 3.474
169 HA HIS 27 HA HIS 27 -4.991 3.880 5.434
170 HB2 HIS 27 1HB HIS 27 -6.486 1.343 4.860
171 HB3 HIS 27 2HB HIS 27 -5.180 1.348 6.041
172 HD1 HIS 27 HD1 HIS 27 -6.883 0.853 7.941
173 HD2 HIS 27 HD2 HIS 27 -7.514 4.450 5.960
174 HE1 HIS 27 HE1 HIS 27 -8.496 2.138 9.379
175 H LEU 28 H LEU 28 -4.889 1.826 2.579
176 HA LEU 28 HA LEU 28 -2.196 0.937 3.085
177 HB2 LEU 28 1HB LEU 28 -3.567 -0.589 1.926
178 HB3 LEU 28 2HB LEU 28 -4.097 0.639 0.779
179 HG LEU 28 HG LEU 28 -1.809 0.664 -0.179
180 HD11 LEU 28 1HD1 LEU 28 -1.133 -1.904 1.098
181 HD12 LEU 28 2HD1 LEU 28 -0.998 -0.473 2.119
182 HD13 LEU 28 3HD1 LEU 28 -0.094 -0.566 0.608
183 HD21 LEU 28 3HD2 LEU 28 -2.081 -1.978 -0.814
184 HD22 LEU 28 1HD2 LEU 28 -2.957 -0.652 -1.580
185 HD23 LEU 28 2HD2 LEU 28 -3.706 -1.561 -0.267
186 H VAL 29 H VAL 29 -3.739 3.044 0.661
187 HA VAL 29 HA VAL 29 -1.504 3.853 -0.732
188 HB VAL 29 HB VAL 29 -4.014 4.463 -1.068
189 HG11 VAL 29 1HG1 VAL 29 -4.100 5.714 1.112
190 HG12 VAL 29 2HG1 VAL 29 -3.105 6.958 0.352
191 HG13 VAL 29 3HG1 VAL 29 -4.709 6.596 -0.288
192 HG21 VAL 29 3HG2 VAL 29 -2.446 6.825 -1.790
193 HG22 VAL 29 1HG2 VAL 29 -1.680 5.295 -2.218
194 HG23 VAL 29 2HG2 VAL 29 -3.296 5.671 -2.817
195 H ARG 30 H ARG 30 -2.711 5.022 2.362
196 HA ARG 30 HA ARG 30 -0.893 7.210 2.559
197 HB2 ARG 30 1HB ARG 30 -3.031 7.114 3.799
198 HB3 ARG 30 2HB ARG 30 -2.403 5.774 4.749
199 HG2 ARG 30 1HG ARG 30 -1.012 7.108 5.974
200 HG3 ARG 30 2HG ARG 30 -0.854 8.309 4.690
201 HD2 ARG 30 1HD ARG 30 -2.899 9.298 5.195
202 HD3 ARG 30 2HD ARG 30 -3.478 7.879 6.066
203 HE ARG 30 HE ARG 30 -2.035 10.059 7.157
204 HH11 ARG 30 1HH1 ARG 30 -2.387 6.603 7.380
205 HH12 ARG 30 2HH1 ARG 30 -1.888 6.528 9.038
206 HH21 ARG 30 1HH2 ARG 30 -1.376 9.974 9.339
207 HH22 ARG 30 2HH2 ARG 30 -1.313 8.446 10.151
208 H HIS 31 H HIS 31 -0.928 3.901 3.818
209 HA HIS 31 HA HIS 31 1.306 4.002 5.456
210 HB2 HIS 31 1HB HIS 31 0.195 1.997 5.653
211 HB3 HIS 31 2HB HIS 31 -0.059 1.843 3.917
212 HD1 HIS 31 HD1 HIS 31 2.474 1.173 6.598
213 HD2 HIS 31 HD2 HIS 31 1.944 0.493 2.534
214 HE1 HIS 31 HE1 HIS 31 4.277 -0.455 5.948
215 H ARG 32 H ARG 32 1.159 3.173 1.996
216 HA ARG 32 HA ARG 32 3.748 2.578 1.445
217 HB2 ARG 32 1HB ARG 32 1.703 4.115 -0.123
218 HB3 ARG 32 2HB ARG 32 3.321 3.880 -0.771
219 HG2 ARG 32 1HG ARG 32 3.056 1.491 -0.705
220 HG3 ARG 32 2HG ARG 32 1.492 1.653 0.097
221 HD2 ARG 32 1HD ARG 32 1.035 1.235 -2.188
222 HD3 ARG 32 2HD ARG 32 0.721 2.950 -1.920
223 HE ARG 32 HE ARG 32 3.320 2.832 -2.771
224 HH11 ARG 32 1HH1 ARG 32 0.244 1.792 -4.025
225 HH12 ARG 32 2HH1 ARG 32 0.711 1.976 -5.684
226 HH21 ARG 32 1HH2 ARG 32 3.947 3.078 -4.950
227 HH22 ARG 32 2HH2 ARG 32 2.817 2.707 -6.209
228 H GLY 33 H GLY 33 2.521 5.625 2.491
229 HA2 GLY 33 1HA GLY 33 4.379 7.430 1.519
230 HA3 GLY 33 2HA GLY 33 3.593 7.567 3.085
231 H ILE 34 H ILE 34 4.676 5.262 4.299
232 HA ILE 34 HA ILE 34 7.042 6.260 5.371
233 HB ILE 34 HB ILE 34 7.351 4.123 6.437
234 HG12 ILE 34 1HG1 ILE 34 5.108 2.910 4.862
235 HG13 ILE 34 2HG1 ILE 34 6.737 2.906 4.195
236 HG21 ILE 34 1HG2 ILE 34 5.714 4.988 7.703
237 HG22 ILE 34 2HG2 ILE 34 4.718 5.397 6.307
238 HG23 ILE 34 3HG2 ILE 34 4.703 3.755 6.950
239 HD11 ILE 34 3HD1 ILE 34 7.266 1.939 6.626
240 HD12 ILE 34 1HD1 ILE 34 5.603 1.380 6.446
241 HD13 ILE 34 2HD1 ILE 34 6.821 0.923 5.255
242 H HIS 35 H HIS 35 6.519 4.681 2.402
243 HA HIS 35 HA HIS 35 9.265 3.744 2.154
244 HB2 HIS 35 1HB HIS 35 6.905 3.616 0.269
245 HB3 HIS 35 2HB HIS 35 8.503 2.981 -0.112
246 HD1 HIS 35 HD1 HIS 35 9.128 0.724 0.855
247 HD2 HIS 35 HD2 HIS 35 5.511 2.172 2.299
248 HE1 HIS 35 HE1 HIS 35 8.087 -1.194 2.105
249 H THR 36 H THR 36 7.095 5.997 0.449
250 HA THR 36 HA THR 36 9.074 7.065 -1.251
251 HB THR 36 HB THR 36 7.489 8.954 -1.591
252 HG1 THR 36 HG1 THR 36 6.317 7.766 0.655
253 HG21 THR 36 3HG2 THR 36 7.295 6.465 -2.533
254 HG22 THR 36 1HG2 THR 36 6.118 7.716 -2.927
255 HG23 THR 36 2HG2 THR 36 5.765 6.540 -1.661
256 H GLY 37 H GLY 37 10.879 7.468 0.129
257 HA2 GLY 37 1HA GLY 37 11.362 10.068 0.815
258 HA3 GLY 37 2HA GLY 37 10.685 9.366 2.277
259 H GLU 38 H GLU 38 11.777 7.451 3.161
260 HA GLU 38 HA GLU 38 14.656 7.463 2.531
261 HB2 GLU 38 1HB GLU 38 13.374 7.086 5.243
262 HB3 GLU 38 2HB GLU 38 15.098 7.032 4.905
263 HG2 GLU 38 1HG GLU 38 13.263 9.403 4.741
264 HG3 GLU 38 2HG GLU 38 14.624 9.156 5.833
265 H LYS 39 H LYS 39 14.277 5.692 1.092
266 HA LYS 39 HA LYS 39 14.055 3.132 2.515
267 HB2 LYS 39 1HB LYS 39 11.908 3.527 1.421
268 HB3 LYS 39 2HB LYS 39 12.721 3.816 -0.111
269 HG2 LYS 39 1HG LYS 39 11.827 1.619 -0.172
270 HG3 LYS 39 2HG LYS 39 13.578 1.473 -0.009
271 HD2 LYS 39 1HD LYS 39 13.222 1.227 2.468
272 HD3 LYS 39 2HD LYS 39 11.491 1.124 2.138
273 HE2 LYS 39 1HE LYS 39 13.541 -0.698 0.891
274 HE3 LYS 39 2HE LYS 39 12.676 -1.080 2.379
275 HZ1 LYS 39 3HZ LYS 39 11.125 -1.946 1.066
276 HZ2 LYS 39 1HZ LYS 39 11.789 -1.261 -0.331
277 HZ3 LYS 39 2HZ LYS 39 10.714 -0.366 0.621
278 HA PRO 40 HA PRO 40 17.923 3.249 0.023
279 HB2 PRO 40 1HB PRO 40 19.395 1.895 1.859
280 HB3 PRO 40 2HB PRO 40 19.148 3.644 1.926
281 HG2 PRO 40 1HG PRO 40 17.746 1.474 3.438
282 HG3 PRO 40 2HG PRO 40 18.339 3.040 4.021
283 HD2 PRO 40 1HD PRO 40 15.735 2.598 3.427
284 HD3 PRO 40 2HD PRO 40 16.510 4.179 3.203
285 H SER 41 H SER 41 17.153 1.823 -1.544
286 HA SER 41 HA SER 41 16.308 -0.770 -1.272
287 HB2 SER 41 1HB SER 41 16.576 0.759 -3.393
288 HB3 SER 41 2HB SER 41 18.113 -0.090 -3.567
289 HG SER 41 HG SER 41 16.274 -1.069 -4.661
290 H GLY 42 H GLY 42 19.655 0.153 -2.119
291 HA2 GLY 42 1HA GLY 42 21.652 -0.773 -1.395
292 HA3 GLY 42 2HA GLY 42 20.736 -1.835 -0.335
293 HA PRO 43 HA PRO 43 22.520 -4.498 -3.636
294 HB2 PRO 43 1HB PRO 43 23.077 -6.564 -1.966
295 HB3 PRO 43 2HB PRO 43 24.173 -5.198 -2.203
296 HG2 PRO 43 1HG PRO 43 22.223 -5.699 0.012
297 HG3 PRO 43 2HG PRO 43 23.887 -5.092 0.102
298 HD2 PRO 43 1HD PRO 43 21.731 -3.460 0.249
299 HD3 PRO 43 2HD PRO 43 23.269 -2.947 -0.473
300 H SER 44 H SER 44 21.614 -6.298 -4.631
301 HA SER 44 HA SER 44 18.887 -6.906 -3.803
302 HB2 SER 44 1HB SER 44 18.626 -7.892 -6.011
303 HB3 SER 44 2HB SER 44 19.372 -6.302 -6.168
304 HG SER 44 HG SER 44 21.058 -8.511 -5.922
305 H SER 45 H SER 45 18.607 -8.526 -2.426
306 HA SER 45 HA SER 45 20.272 -10.938 -2.745
307 HB2 SER 45 1HB SER 45 19.101 -9.771 -0.209
308 HB3 SER 45 2HB SER 45 19.928 -11.325 -0.308
309 HG SER 45 HG SER 45 21.061 -9.080 0.169
310 H GLY 46 H GLY 46 19.264 -12.970 -2.340
311 HA2 GLY 46 1HA GLY 46 17.571 -14.489 -2.661
312 HA3 GLY 46 2HA GLY 46 16.624 -13.420 -1.636
Start of MODEL 15
1 H1 GLY 1 H GLY 1 11.509 -29.779 -0.894
2 HA2 GLY 1 1HA GLY 1 9.366 -29.464 0.816
3 HA3 GLY 1 2HA GLY 1 10.053 -27.857 0.630
4 H SER 2 H SER 2 8.086 -27.186 -0.359
5 HA SER 2 HA SER 2 8.141 -27.257 -3.175
6 HB2 SER 2 1HB SER 2 6.200 -28.563 -3.703
7 HB3 SER 2 2HB SER 2 7.241 -29.567 -2.694
8 HG SER 2 HG SER 2 5.456 -29.790 -1.585
9 H SER 3 H SER 3 7.026 -25.564 -3.984
10 HA SER 3 HA SER 3 6.070 -23.554 -2.331
11 HB2 SER 3 1HB SER 3 5.718 -24.135 -5.257
12 HB3 SER 3 2HB SER 3 4.886 -22.767 -4.517
13 HG SER 3 HG SER 3 7.017 -22.118 -3.746
14 H GLY 4 H GLY 4 3.823 -22.615 -2.382
15 HA2 GLY 4 1HA GLY 4 1.438 -23.385 -2.895
16 HA3 GLY 4 2HA GLY 4 1.889 -24.799 -1.955
17 H SER 5 H SER 5 3.264 -23.718 0.140
18 HA SER 5 HA SER 5 1.122 -22.285 1.537
19 HB2 SER 5 1HB SER 5 3.339 -24.097 2.415
20 HB3 SER 5 2HB SER 5 2.669 -22.940 3.565
21 HG SER 5 HG SER 5 1.052 -24.243 3.794
22 H SER 6 H SER 6 2.624 -20.743 -0.210
23 HA SER 6 HA SER 6 4.093 -19.022 1.672
24 HB2 SER 6 1HB SER 6 4.878 -19.817 -1.131
25 HB3 SER 6 2HB SER 6 5.537 -18.383 -0.343
26 HG SER 6 HG SER 6 6.177 -20.996 0.013
27 H GLY 7 H GLY 7 3.886 -16.797 1.367
28 HA2 GLY 7 1HA GLY 7 2.564 -14.941 0.978
29 HA3 GLY 7 2HA GLY 7 2.885 -15.358 -0.699
30 H THR 8 H THR 8 0.690 -16.074 1.996
31 HA THR 8 HA THR 8 -1.309 -17.263 0.355
32 HB THR 8 HB THR 8 -2.782 -17.047 2.332
33 HG1 THR 8 HG1 THR 8 -2.267 -15.743 3.933
34 HG21 THR 8 3HG2 THR 8 -0.331 -18.492 2.152
35 HG22 THR 8 1HG2 THR 8 -1.822 -18.950 2.974
36 HG23 THR 8 2HG2 THR 8 -0.588 -18.030 3.834
37 H GLY 9 H GLY 9 -0.948 -14.041 1.818
38 HA2 GLY 9 1HA GLY 9 -1.993 -12.047 1.369
39 HA3 GLY 9 2HA GLY 9 -2.081 -12.628 -0.287
40 H GLU 10 H GLU 10 -3.778 -12.300 2.740
41 HA GLU 10 HA GLU 10 -6.230 -13.357 1.530
42 HB2 GLU 10 1HB GLU 10 -5.371 -14.031 3.873
43 HB3 GLU 10 2HB GLU 10 -5.955 -12.454 4.384
44 HG2 GLU 10 1HG GLU 10 -7.791 -13.695 4.850
45 HG3 GLU 10 2HG GLU 10 -8.156 -13.269 3.179
46 H LYS 11 H LYS 11 -5.354 -10.949 0.483
47 HA LYS 11 HA LYS 11 -7.648 -9.339 0.747
48 HB2 LYS 11 1HB LYS 11 -6.170 -8.888 2.895
49 HB3 LYS 11 2HB LYS 11 -5.276 -7.853 1.789
50 HG2 LYS 11 1HG LYS 11 -7.013 -6.377 1.544
51 HG3 LYS 11 2HG LYS 11 -8.238 -7.586 1.937
52 HD2 LYS 11 1HD LYS 11 -6.257 -6.666 3.992
53 HD3 LYS 11 2HD LYS 11 -7.723 -5.740 3.665
54 HE2 LYS 11 1HE LYS 11 -9.095 -7.656 4.210
55 HE3 LYS 11 2HE LYS 11 -7.661 -8.658 4.425
56 HZ1 LYS 11 3HZ LYS 11 -7.460 -6.365 6.049
57 HZ2 LYS 11 1HZ LYS 11 -7.517 -7.990 6.516
58 HZ3 LYS 11 2HZ LYS 11 -8.951 -7.111 6.336
59 HA PRO 12 HA PRO 12 -6.010 -8.217 -3.201
60 HB2 PRO 12 1HB PRO 12 -7.814 -6.281 -3.805
61 HB3 PRO 12 2HB PRO 12 -8.198 -8.005 -3.868
62 HG2 PRO 12 1HG PRO 12 -8.797 -6.008 -1.720
63 HG3 PRO 12 2HG PRO 12 -9.838 -7.278 -2.388
64 HD2 PRO 12 1HD PRO 12 -8.528 -7.557 -0.035
65 HD3 PRO 12 2HD PRO 12 -8.857 -8.929 -1.113
66 H TYR 13 H TYR 13 -6.322 -6.054 -0.524
67 HA TYR 13 HA TYR 13 -4.724 -4.005 -1.890
68 HB2 TYR 13 1HB TYR 13 -6.241 -3.885 0.725
69 HB3 TYR 13 2HB TYR 13 -5.324 -2.554 0.027
70 HD1 TYR 13 HD2 TYR 13 -8.330 -4.647 -0.334
71 HD2 TYR 13 HD1 TYR 13 -6.203 -1.266 -1.798
72 HE1 TYR 13 HE2 TYR 13 -10.320 -3.951 -1.600
73 HE2 TYR 13 HE1 TYR 13 -8.187 -0.559 -3.067
74 HH TYR 13 HH TYR 13 -10.274 -1.045 -3.644
75 H LYS 14 H LYS 14 -2.633 -4.610 -1.766
76 HA LYS 14 HA LYS 14 -1.501 -4.923 0.925
77 HB2 LYS 14 1HB LYS 14 -1.803 -7.112 -0.510
78 HB3 LYS 14 2HB LYS 14 -0.363 -6.524 -1.332
79 HG2 LYS 14 1HG LYS 14 0.962 -6.745 0.557
80 HG3 LYS 14 2HG LYS 14 -0.424 -6.750 1.650
81 HD2 LYS 14 1HD LYS 14 0.223 -8.979 1.631
82 HD3 LYS 14 2HD LYS 14 -1.072 -8.940 0.431
83 HE2 LYS 14 1HE LYS 14 1.764 -8.523 -0.417
84 HE3 LYS 14 2HE LYS 14 1.173 -10.154 -0.104
85 HZ1 LYS 14 3HZ LYS 14 0.573 -10.040 -2.251
86 HZ2 LYS 14 1HZ LYS 14 0.555 -8.348 -2.285
87 HZ3 LYS 14 2HZ LYS 14 -0.768 -9.195 -1.659
88 H CYS 15 H CYS 15 0.738 -4.342 1.098
89 HA CYS 15 HA CYS 15 1.426 -2.149 -0.652
90 HB2 CYS 15 1HB CYS 15 1.730 -2.025 1.815
91 HB3 CYS 15 2HB CYS 15 2.963 -3.277 1.697
92 H ASN 16 H ASN 16 2.529 -2.414 -2.467
93 HA ASN 16 HA ASN 16 4.004 -4.845 -2.971
94 HB2 ASN 16 1HB ASN 16 3.449 -2.394 -4.647
95 HB3 ASN 16 2HB ASN 16 4.431 -3.743 -5.212
96 HD21 ASN 16 1HD2 ASN 16 1.501 -2.463 -5.467
97 HD22 ASN 16 2HD2 ASN 16 0.547 -3.881 -5.723
98 H GLU 17 H GLU 17 5.092 -3.335 -0.858
99 HA GLU 17 HA GLU 17 7.724 -2.706 -1.997
100 HB2 GLU 17 1HB GLU 17 6.212 -1.058 0.032
101 HB3 GLU 17 2HB GLU 17 7.930 -0.869 -0.288
102 HG2 GLU 17 1HG GLU 17 5.944 -0.677 -2.512
103 HG3 GLU 17 2HG GLU 17 6.246 0.698 -1.451
104 H CYS 18 H CYS 18 5.857 -3.462 0.917
105 HA CYS 18 HA CYS 18 8.234 -4.845 1.979
106 HB2 CYS 18 1HB CYS 18 7.311 -4.394 4.248
107 HB3 CYS 18 2HB CYS 18 7.747 -2.931 3.372
108 H GLY 19 H GLY 19 4.688 -4.831 1.850
109 HA2 GLY 19 1HA GLY 19 3.631 -6.952 1.182
110 HA3 GLY 19 2HA GLY 19 4.774 -7.759 2.245
111 H LYS 20 H LYS 20 2.504 -5.023 2.555
112 HA LYS 20 HA LYS 20 1.374 -6.368 4.919
113 HB2 LYS 20 1HB LYS 20 2.901 -4.255 5.251
114 HB3 LYS 20 2HB LYS 20 1.462 -3.381 4.744
115 HG2 LYS 20 1HG LYS 20 0.202 -4.475 6.567
116 HG3 LYS 20 2HG LYS 20 1.701 -5.237 7.103
117 HD2 LYS 20 1HD LYS 20 1.687 -2.286 6.742
118 HD3 LYS 20 2HD LYS 20 0.839 -2.954 8.139
119 HE2 LYS 20 1HE LYS 20 2.910 -2.709 9.053
120 HE3 LYS 20 2HE LYS 20 3.091 -4.328 8.379
121 HZ1 LYS 20 3HZ LYS 20 3.948 -3.079 6.320
122 HZ2 LYS 20 1HZ LYS 20 4.977 -3.239 7.654
123 HZ3 LYS 20 2HZ LYS 20 4.173 -1.777 7.376
124 H VAL 21 H VAL 21 -0.776 -6.589 4.925
125 HA VAL 21 HA VAL 21 -2.284 -5.408 2.718
126 HB VAL 21 HB VAL 21 -4.079 -6.977 3.372
127 HG11 VAL 21 1HG1 VAL 21 -1.337 -8.108 2.864
128 HG12 VAL 21 2HG1 VAL 21 -2.807 -9.082 2.808
129 HG13 VAL 21 3HG1 VAL 21 -2.597 -7.737 1.687
130 HG21 VAL 21 3HG2 VAL 21 -2.271 -8.465 5.181
131 HG22 VAL 21 1HG2 VAL 21 -3.008 -6.997 5.823
132 HG23 VAL 21 2HG2 VAL 21 -4.027 -8.301 5.214
133 H PHE 22 H PHE 22 -4.340 -4.406 3.068
134 HA PHE 22 HA PHE 22 -4.842 -3.433 5.786
135 HB2 PHE 22 1HB PHE 22 -4.750 -1.632 3.357
136 HB3 PHE 22 2HB PHE 22 -5.133 -1.142 5.004
137 HD1 PHE 22 HD2 PHE 22 -2.462 -2.263 2.747
138 HD2 PHE 22 HD1 PHE 22 -3.418 -0.791 6.624
139 HE1 PHE 22 HE2 PHE 22 -0.078 -1.824 3.164
140 HE2 PHE 22 HE1 PHE 22 -1.035 -0.348 7.047
141 HZ PHE 22 HZ PHE 22 0.639 -0.865 5.316
142 H THR 23 H THR 23 -6.962 -3.216 6.302
143 HA THR 23 HA THR 23 -8.896 -4.502 4.698
144 HB THR 23 HB THR 23 -9.148 -4.480 7.104
145 HG1 THR 23 HG1 THR 23 -11.165 -3.089 5.662
146 HG21 THR 23 3HG2 THR 23 -8.251 -2.487 7.887
147 HG22 THR 23 1HG2 THR 23 -9.981 -2.232 8.111
148 HG23 THR 23 2HG2 THR 23 -9.154 -1.508 6.731
149 H GLN 24 H GLN 24 -7.956 -1.159 5.064
150 HA GLN 24 HA GLN 24 -10.087 -0.379 3.186
151 HB2 GLN 24 1HB GLN 24 -8.611 1.283 5.234
152 HB3 GLN 24 2HB GLN 24 -9.743 1.935 4.057
153 HG2 GLN 24 1HG GLN 24 -10.484 -0.171 6.068
154 HG3 GLN 24 2HG GLN 24 -10.660 1.559 6.357
155 HE21 GLN 24 1HE2 GLN 24 -11.908 -1.214 4.754
156 HE22 GLN 24 2HE2 GLN 24 -13.319 -0.468 4.092
157 H ASN 25 H ASN 25 -9.578 0.829 1.380
158 HA ASN 25 HA ASN 25 -7.026 0.419 0.247
159 HB2 ASN 25 1HB ASN 25 -8.690 0.610 -1.355
160 HB3 ASN 25 2HB ASN 25 -9.464 1.966 -0.540
161 HD21 ASN 25 1HD2 ASN 25 -8.753 4.032 -0.919
162 HD22 ASN 25 2HD2 ASN 25 -7.639 4.426 -2.180
163 H SER 26 H SER 26 -8.612 3.404 1.379
164 HA SER 26 HA SER 26 -6.655 5.242 0.892
165 HB2 SER 26 1HB SER 26 -7.507 6.486 2.875
166 HB3 SER 26 2HB SER 26 -8.799 5.885 1.837
167 HG SER 26 HG SER 26 -8.281 5.324 4.433
168 H HIS 27 H HIS 27 -6.884 3.125 3.735
169 HA HIS 27 HA HIS 27 -4.725 4.032 5.188
170 HB2 HIS 27 1HB HIS 27 -5.793 1.229 4.845
171 HB3 HIS 27 2HB HIS 27 -4.539 1.640 6.011
172 HD1 HIS 27 HD1 HIS 27 -7.228 0.516 6.962
173 HD2 HIS 27 HD2 HIS 27 -6.389 4.572 6.644
174 HE1 HIS 27 HE1 HIS 27 -8.827 1.658 8.531
175 H LEU 28 H LEU 28 -4.718 1.583 2.610
176 HA LEU 28 HA LEU 28 -1.960 1.042 2.691
177 HB2 LEU 28 1HB LEU 28 -3.312 -0.515 1.577
178 HB3 LEU 28 2HB LEU 28 -4.065 0.726 0.578
179 HG LEU 28 HG LEU 28 -1.824 1.002 -0.555
180 HD11 LEU 28 1HD1 LEU 28 -0.188 -0.719 -0.339
181 HD12 LEU 28 2HD1 LEU 28 -1.222 -1.645 0.748
182 HD13 LEU 28 3HD1 LEU 28 -0.539 -0.108 1.278
183 HD21 LEU 28 3HD2 LEU 28 -3.663 -0.189 -1.605
184 HD22 LEU 28 1HD2 LEU 28 -3.217 -1.667 -0.753
185 HD23 LEU 28 2HD2 LEU 28 -2.130 -0.986 -1.964
186 H VAL 29 H VAL 29 -3.806 3.110 0.446
187 HA VAL 29 HA VAL 29 -1.783 4.119 -1.087
188 HB VAL 29 HB VAL 29 -4.129 5.691 -0.014
189 HG11 VAL 29 1HG1 VAL 29 -3.526 6.594 -2.558
190 HG12 VAL 29 2HG1 VAL 29 -3.168 7.421 -1.041
191 HG13 VAL 29 3HG1 VAL 29 -1.949 6.393 -1.796
192 HG21 VAL 29 3HG2 VAL 29 -4.238 4.689 -2.756
193 HG22 VAL 29 1HG2 VAL 29 -4.200 3.415 -1.536
194 HG23 VAL 29 2HG2 VAL 29 -5.460 4.648 -1.484
195 H ARG 30 H ARG 30 -2.770 5.228 2.128
196 HA ARG 30 HA ARG 30 -0.806 7.326 2.199
197 HB2 ARG 30 1HB ARG 30 -2.868 6.249 4.053
198 HB3 ARG 30 2HB ARG 30 -1.519 7.123 4.767
199 HG2 ARG 30 1HG ARG 30 -3.309 8.658 4.418
200 HG3 ARG 30 2HG ARG 30 -2.033 9.029 3.256
201 HD2 ARG 30 1HD ARG 30 -3.252 8.239 1.466
202 HD3 ARG 30 2HD ARG 30 -4.235 7.175 2.471
203 HE ARG 30 HE ARG 30 -5.024 9.577 3.319
204 HH11 ARG 30 1HH1 ARG 30 -4.575 8.321 0.104
205 HH12 ARG 30 2HH1 ARG 30 -5.805 9.317 -0.599
206 HH21 ARG 30 1HH2 ARG 30 -6.647 10.895 2.406
207 HH22 ARG 30 2HH2 ARG 30 -6.983 10.782 0.712
208 H HIS 31 H HIS 31 -1.101 4.054 3.478
209 HA HIS 31 HA HIS 31 0.946 3.902 5.270
210 HB2 HIS 31 1HB HIS 31 -0.278 1.932 4.985
211 HB3 HIS 31 2HB HIS 31 -0.064 1.937 3.237
212 HD1 HIS 31 HD1 HIS 31 1.850 1.209 6.412
213 HD2 HIS 31 HD2 HIS 31 2.095 0.511 2.324
214 HE1 HIS 31 HE1 HIS 31 3.750 -0.412 6.120
215 H ARG 32 H ARG 32 1.276 3.435 1.751
216 HA ARG 32 HA ARG 32 3.891 2.908 1.438
217 HB2 ARG 32 1HB ARG 32 2.136 4.796 -0.113
218 HB3 ARG 32 2HB ARG 32 3.800 4.494 -0.595
219 HG2 ARG 32 1HG ARG 32 3.367 2.366 -1.277
220 HG3 ARG 32 2HG ARG 32 2.050 2.147 -0.123
221 HD2 ARG 32 1HD ARG 32 1.178 2.238 -2.383
222 HD3 ARG 32 2HD ARG 32 0.645 3.648 -1.468
223 HE ARG 32 HE ARG 32 3.036 4.029 -3.053
224 HH11 ARG 32 1HH1 ARG 32 -0.433 4.280 -2.899
225 HH12 ARG 32 2HH1 ARG 32 -0.534 5.458 -4.166
226 HH21 ARG 32 1HH2 ARG 32 2.915 5.579 -4.722
227 HH22 ARG 32 2HH2 ARG 32 1.371 6.195 -5.203
228 H GLY 33 H GLY 33 2.559 5.906 2.610
229 HA2 GLY 33 1HA GLY 33 4.483 7.774 2.246
230 HA3 GLY 33 2HA GLY 33 3.621 7.603 3.768
231 H ILE 34 H ILE 34 4.731 4.971 4.342
232 HA ILE 34 HA ILE 34 7.235 5.870 5.489
233 HB ILE 34 HB ILE 34 7.232 3.821 6.751
234 HG12 ILE 34 1HG1 ILE 34 4.707 2.913 5.407
235 HG13 ILE 34 2HG1 ILE 34 6.270 2.522 4.699
236 HG21 ILE 34 1HG2 ILE 34 5.044 5.671 6.732
237 HG22 ILE 34 2HG2 ILE 34 4.483 4.083 7.253
238 HG23 ILE 34 3HG2 ILE 34 5.815 4.869 8.100
239 HD11 ILE 34 3HD1 ILE 34 6.682 1.752 7.247
240 HD12 ILE 34 1HD1 ILE 34 4.953 1.448 7.090
241 HD13 ILE 34 2HD1 ILE 34 6.087 0.689 5.972
242 H HIS 35 H HIS 35 6.972 5.386 2.562
243 HA HIS 35 HA HIS 35 9.263 3.566 2.309
244 HB2 HIS 35 1HB HIS 35 6.716 3.523 0.703
245 HB3 HIS 35 2HB HIS 35 8.219 2.862 0.065
246 HD1 HIS 35 HD1 HIS 35 9.274 0.848 1.508
247 HD2 HIS 35 HD2 HIS 35 5.326 1.839 2.339
248 HE1 HIS 35 HE1 HIS 35 8.337 -1.120 2.760
249 H THR 36 H THR 36 7.263 5.969 0.609
250 HA THR 36 HA THR 36 9.495 6.742 -1.072
251 HB THR 36 HB THR 36 7.279 6.700 -2.076
252 HG1 THR 36 HG1 THR 36 7.734 9.449 -1.948
253 HG21 THR 36 3HG2 THR 36 6.585 8.821 -0.041
254 HG22 THR 36 1HG2 THR 36 5.926 7.188 -0.116
255 HG23 THR 36 2HG2 THR 36 5.566 8.343 -1.399
256 H GLY 37 H GLY 37 7.579 8.125 1.567
257 HA2 GLY 37 1HA GLY 37 7.978 9.901 2.965
258 HA3 GLY 37 2HA GLY 37 9.683 9.610 2.648
259 H GLU 38 H GLU 38 10.767 11.214 1.727
260 HA GLU 38 HA GLU 38 9.387 13.559 0.817
261 HB2 GLU 38 1HB GLU 38 12.299 12.800 0.975
262 HB3 GLU 38 2HB GLU 38 11.765 14.322 0.276
263 HG2 GLU 38 1HG GLU 38 12.491 14.326 2.714
264 HG3 GLU 38 2HG GLU 38 10.971 15.122 2.312
265 H LYS 39 H LYS 39 9.052 14.263 -1.223
266 HA LYS 39 HA LYS 39 10.090 12.607 -3.426
267 HB2 LYS 39 1HB LYS 39 7.998 12.797 -4.591
268 HB3 LYS 39 2HB LYS 39 7.670 12.192 -2.973
269 HG2 LYS 39 1HG LYS 39 7.501 15.121 -3.496
270 HG3 LYS 39 2HG LYS 39 6.187 14.064 -4.018
271 HD2 LYS 39 1HD LYS 39 7.211 13.787 -1.236
272 HD3 LYS 39 2HD LYS 39 6.194 15.177 -1.622
273 HE2 LYS 39 1HE LYS 39 5.334 12.441 -2.454
274 HE3 LYS 39 2HE LYS 39 5.126 12.943 -0.776
275 HZ1 LYS 39 3HZ LYS 39 3.463 14.317 -1.315
276 HZ2 LYS 39 1HZ LYS 39 3.360 13.417 -2.744
277 HZ3 LYS 39 2HZ LYS 39 4.220 14.873 -2.723
278 HA PRO 40 HA PRO 40 11.623 16.375 -5.109
279 HB2 PRO 40 1HB PRO 40 11.828 15.632 -7.712
280 HB3 PRO 40 2HB PRO 40 12.938 15.062 -6.460
281 HG2 PRO 40 1HG PRO 40 10.564 13.686 -7.657
282 HG3 PRO 40 2HG PRO 40 12.164 13.026 -7.274
283 HD2 PRO 40 1HD PRO 40 10.012 12.648 -5.674
284 HD3 PRO 40 2HD PRO 40 11.665 12.774 -5.038
285 H SER 41 H SER 41 11.075 18.097 -6.569
286 HA SER 41 HA SER 41 8.488 18.928 -6.583
287 HB2 SER 41 1HB SER 41 10.835 19.571 -8.304
288 HB3 SER 41 2HB SER 41 9.257 20.172 -8.813
289 HG SER 41 HG SER 41 10.804 21.305 -7.104
290 H GLY 42 H GLY 42 10.090 17.068 -9.149
291 HA2 GLY 42 1HA GLY 42 8.823 15.312 -10.255
292 HA3 GLY 42 2HA GLY 42 7.407 16.347 -10.147
293 HA PRO 43 HA PRO 43 10.069 16.995 -14.121
294 HB2 PRO 43 1HB PRO 43 9.107 15.055 -15.758
295 HB3 PRO 43 2HB PRO 43 10.536 14.833 -14.742
296 HG2 PRO 43 1HG PRO 43 7.716 13.948 -14.265
297 HG3 PRO 43 2HG PRO 43 9.227 13.061 -13.995
298 HD2 PRO 43 1HD PRO 43 7.870 14.272 -11.989
299 HD3 PRO 43 2HD PRO 43 9.639 14.123 -11.991
300 H SER 44 H SER 44 6.966 16.986 -13.022
301 HA SER 44 HA SER 44 5.898 18.101 -15.532
302 HB2 SER 44 1HB SER 44 4.813 16.017 -14.365
303 HB3 SER 44 2HB SER 44 4.127 17.224 -13.277
304 HG SER 44 HG SER 44 2.657 17.200 -14.830
305 H SER 45 H SER 45 4.871 20.076 -15.507
306 HA SER 45 HA SER 45 5.476 21.752 -13.196
307 HB2 SER 45 1HB SER 45 4.866 23.631 -14.728
308 HB3 SER 45 2HB SER 45 6.179 22.627 -15.341
309 HG SER 45 HG SER 45 4.654 23.035 -16.969
310 H GLY 46 H GLY 46 3.948 21.578 -11.657
311 HA2 GLY 46 1HA GLY 46 1.410 22.751 -12.037
312 HA3 GLY 46 2HA GLY 46 1.240 21.002 -12.052
Start of MODEL 16
1 H1 GLY 1 H GLY 1 16.722 -31.295 -1.322
2 HA2 GLY 1 1HA GLY 1 14.760 -29.517 -0.137
3 HA3 GLY 1 2HA GLY 1 15.454 -29.385 -1.746
4 H SER 2 H SER 2 12.621 -29.555 -0.419
5 HA SER 2 HA SER 2 11.530 -31.588 -2.247
6 HB2 SER 2 1HB SER 2 10.989 -31.947 0.130
7 HB3 SER 2 2HB SER 2 10.254 -30.346 0.204
8 HG SER 2 HG SER 2 8.654 -31.025 -1.170
9 H SER 3 H SER 3 10.658 -28.414 -0.870
10 HA SER 3 HA SER 3 10.161 -27.235 -3.394
11 HB2 SER 3 1HB SER 3 7.749 -27.056 -3.352
12 HB3 SER 3 2HB SER 3 8.185 -28.762 -3.256
13 HG SER 3 HG SER 3 6.638 -27.466 -1.619
14 H GLY 4 H GLY 4 8.741 -25.135 -3.023
15 HA2 GLY 4 1HA GLY 4 8.578 -23.952 -0.494
16 HA3 GLY 4 2HA GLY 4 10.153 -23.553 -1.163
17 H SER 5 H SER 5 6.924 -22.666 -0.997
18 HA SER 5 HA SER 5 7.362 -20.470 -2.821
19 HB2 SER 5 1HB SER 5 5.095 -22.408 -3.346
20 HB3 SER 5 2HB SER 5 5.417 -20.917 -4.229
21 HG SER 5 HG SER 5 6.298 -23.231 -4.875
22 H SER 6 H SER 6 6.028 -18.723 -2.424
23 HA SER 6 HA SER 6 4.406 -18.945 0.011
24 HB2 SER 6 1HB SER 6 4.629 -16.479 0.134
25 HB3 SER 6 2HB SER 6 6.195 -17.289 0.109
26 HG SER 6 HG SER 6 5.207 -15.471 -1.602
27 H GLY 7 H GLY 7 2.266 -18.505 0.039
28 HA2 GLY 7 1HA GLY 7 1.011 -17.171 -2.223
29 HA3 GLY 7 2HA GLY 7 0.567 -18.855 -1.986
30 H THR 8 H THR 8 1.076 -16.095 0.213
31 HA THR 8 HA THR 8 -1.559 -16.692 1.391
32 HB THR 8 HB THR 8 -0.738 -15.635 3.462
33 HG1 THR 8 HG1 THR 8 1.453 -15.073 3.615
34 HG21 THR 8 3HG2 THR 8 -0.160 -18.151 2.532
35 HG22 THR 8 1HG2 THR 8 0.079 -17.596 4.188
36 HG23 THR 8 2HG2 THR 8 1.421 -17.563 3.045
37 H GLY 9 H GLY 9 -3.029 -15.065 1.681
38 HA2 GLY 9 1HA GLY 9 -2.551 -12.327 1.676
39 HA3 GLY 9 2HA GLY 9 -2.825 -12.788 0.002
40 H GLU 10 H GLU 10 -4.250 -12.452 3.164
41 HA GLU 10 HA GLU 10 -6.871 -13.280 2.206
42 HB2 GLU 10 1HB GLU 10 -5.888 -12.361 4.909
43 HB3 GLU 10 2HB GLU 10 -7.569 -12.746 4.568
44 HG2 GLU 10 1HG GLU 10 -7.178 -14.988 4.426
45 HG3 GLU 10 2HG GLU 10 -5.504 -14.777 3.916
46 H LYS 11 H LYS 11 -5.810 -11.037 0.892
47 HA LYS 11 HA LYS 11 -7.969 -9.222 1.128
48 HB2 LYS 11 1HB LYS 11 -6.254 -8.695 3.084
49 HB3 LYS 11 2HB LYS 11 -5.407 -7.847 1.796
50 HG2 LYS 11 1HG LYS 11 -7.009 -6.243 1.605
51 HG3 LYS 11 2HG LYS 11 -8.308 -7.320 2.124
52 HD2 LYS 11 1HD LYS 11 -6.155 -6.404 4.010
53 HD3 LYS 11 2HD LYS 11 -7.611 -5.448 3.724
54 HE2 LYS 11 1HE LYS 11 -7.788 -8.345 4.475
55 HE3 LYS 11 2HE LYS 11 -7.573 -7.102 5.707
56 HZ1 LYS 11 3HZ LYS 11 -9.662 -6.492 3.833
57 HZ2 LYS 11 1HZ LYS 11 -9.687 -6.469 5.525
58 HZ3 LYS 11 2HZ LYS 11 -9.949 -7.920 4.695
59 HA PRO 12 HA PRO 12 -6.588 -8.700 -3.039
60 HB2 PRO 12 1HB PRO 12 -8.307 -6.717 -3.736
61 HB3 PRO 12 2HB PRO 12 -8.805 -8.404 -3.565
62 HG2 PRO 12 1HG PRO 12 -9.097 -6.139 -1.631
63 HG3 PRO 12 2HG PRO 12 -10.269 -7.396 -2.066
64 HD2 PRO 12 1HD PRO 12 -8.793 -7.503 0.201
65 HD3 PRO 12 2HD PRO 12 -9.297 -8.959 -0.680
66 H TYR 13 H TYR 13 -6.024 -6.618 -0.525
67 HA TYR 13 HA TYR 13 -4.574 -4.734 -2.266
68 HB2 TYR 13 1HB TYR 13 -6.105 -4.248 0.276
69 HB3 TYR 13 2HB TYR 13 -4.823 -3.153 -0.230
70 HD1 TYR 13 HD2 TYR 13 -7.579 -4.911 -2.051
71 HD2 TYR 13 HD1 TYR 13 -5.709 -1.211 -1.095
72 HE1 TYR 13 HE2 TYR 13 -9.169 -3.736 -3.515
73 HE2 TYR 13 HE1 TYR 13 -7.294 -0.025 -2.555
74 HH TYR 13 HH TYR 13 -8.951 -0.231 -4.026
75 H LYS 14 H LYS 14 -2.448 -4.869 -2.087
76 HA LYS 14 HA LYS 14 -1.239 -5.409 0.517
77 HB2 LYS 14 1HB LYS 14 -1.434 -7.604 -0.571
78 HB3 LYS 14 2HB LYS 14 -0.577 -6.987 -1.978
79 HG2 LYS 14 1HG LYS 14 1.151 -8.001 -0.922
80 HG3 LYS 14 2HG LYS 14 1.253 -6.417 -0.149
81 HD2 LYS 14 1HD LYS 14 0.293 -7.182 1.827
82 HD3 LYS 14 2HD LYS 14 -0.431 -8.589 1.043
83 HE2 LYS 14 1HE LYS 14 1.853 -9.501 0.699
84 HE3 LYS 14 2HE LYS 14 2.496 -8.140 1.617
85 HZ1 LYS 14 3HZ LYS 14 1.146 -10.521 2.550
86 HZ2 LYS 14 1HZ LYS 14 0.634 -9.088 3.290
87 HZ3 LYS 14 2HZ LYS 14 2.266 -9.530 3.341
88 H CYS 15 H CYS 15 0.878 -4.635 0.741
89 HA CYS 15 HA CYS 15 1.541 -2.487 -1.084
90 HB2 CYS 15 1HB CYS 15 1.686 -2.095 1.326
91 HB3 CYS 15 2HB CYS 15 2.867 -3.392 1.480
92 H ASN 16 H ASN 16 3.241 -2.406 -2.461
93 HA ASN 16 HA ASN 16 4.611 -4.915 -3.001
94 HB2 ASN 16 1HB ASN 16 3.565 -3.545 -4.830
95 HB3 ASN 16 2HB ASN 16 4.791 -2.315 -4.533
96 HD21 ASN 16 1HD2 ASN 16 5.556 -2.552 -6.649
97 HD22 ASN 16 2HD2 ASN 16 6.526 -3.905 -7.113
98 H GLU 17 H GLU 17 5.205 -1.907 -1.475
99 HA GLU 17 HA GLU 17 8.010 -1.753 -1.835
100 HB2 GLU 17 1HB GLU 17 6.319 -0.652 0.417
101 HB3 GLU 17 2HB GLU 17 7.966 -0.168 0.036
102 HG2 GLU 17 1HG GLU 17 5.735 0.101 -1.947
103 HG3 GLU 17 2HG GLU 17 6.082 1.346 -0.749
104 H CYS 18 H CYS 18 6.113 -2.764 1.015
105 HA CYS 18 HA CYS 18 8.419 -4.401 1.844
106 HB2 CYS 18 1HB CYS 18 7.512 -4.185 4.158
107 HB3 CYS 18 2HB CYS 18 8.013 -2.651 3.454
108 H GLY 19 H GLY 19 4.861 -4.251 1.932
109 HA2 GLY 19 1HA GLY 19 3.714 -6.238 0.986
110 HA3 GLY 19 2HA GLY 19 4.856 -7.207 1.906
111 H LYS 20 H LYS 20 2.070 -5.088 2.107
112 HA LYS 20 HA LYS 20 1.235 -6.445 4.534
113 HB2 LYS 20 1HB LYS 20 1.999 -3.556 4.425
114 HB3 LYS 20 2HB LYS 20 0.666 -4.045 5.462
115 HG2 LYS 20 1HG LYS 20 2.072 -5.464 6.744
116 HG3 LYS 20 2HG LYS 20 3.398 -5.293 5.592
117 HD2 LYS 20 1HD LYS 20 3.909 -3.896 7.445
118 HD3 LYS 20 2HD LYS 20 3.403 -2.833 6.129
119 HE2 LYS 20 1HE LYS 20 2.201 -1.948 7.867
120 HE3 LYS 20 2HE LYS 20 1.040 -3.118 7.240
121 HZ1 LYS 20 3HZ LYS 20 2.910 -3.958 9.342
122 HZ2 LYS 20 1HZ LYS 20 1.346 -4.510 9.011
123 HZ3 LYS 20 2HZ LYS 20 1.571 -3.016 9.770
124 H VAL 21 H VAL 21 -0.964 -6.512 4.784
125 HA VAL 21 HA VAL 21 -2.525 -5.441 2.547
126 HB VAL 21 HB VAL 21 -4.289 -6.998 3.260
127 HG11 VAL 21 1HG1 VAL 21 -2.686 -9.137 3.043
128 HG12 VAL 21 2HG1 VAL 21 -3.097 -8.096 1.679
129 HG13 VAL 21 3HG1 VAL 21 -1.565 -7.878 2.526
130 HG21 VAL 21 3HG2 VAL 21 -3.926 -7.076 5.627
131 HG22 VAL 21 1HG2 VAL 21 -3.728 -8.708 4.988
132 HG23 VAL 21 2HG2 VAL 21 -2.310 -7.748 5.408
133 H PHE 22 H PHE 22 -4.542 -4.394 2.906
134 HA PHE 22 HA PHE 22 -5.077 -3.429 5.609
135 HB2 PHE 22 1HB PHE 22 -4.744 -1.562 3.251
136 HB3 PHE 22 2HB PHE 22 -5.206 -1.098 4.885
137 HD1 PHE 22 HD2 PHE 22 -2.460 -2.258 2.752
138 HD2 PHE 22 HD1 PHE 22 -3.583 -0.933 6.638
139 HE1 PHE 22 HE2 PHE 22 -0.088 -1.965 3.334
140 HE2 PHE 22 HE1 PHE 22 -1.212 -0.636 7.225
141 HZ PHE 22 HZ PHE 22 0.539 -1.153 5.573
142 H THR 23 H THR 23 -7.207 -3.028 6.017
143 HA THR 23 HA THR 23 -9.121 -4.140 4.229
144 HB THR 23 HB THR 23 -9.445 -4.285 6.643
145 HG1 THR 23 HG1 THR 23 -11.659 -3.426 6.643
146 HG21 THR 23 3HG2 THR 23 -10.129 -2.277 7.920
147 HG22 THR 23 1HG2 THR 23 -9.742 -1.282 6.517
148 HG23 THR 23 2HG2 THR 23 -8.466 -2.181 7.340
149 H GLN 24 H GLN 24 -8.282 -0.840 5.185
150 HA GLN 24 HA GLN 24 -10.212 0.203 3.238
151 HB2 GLN 24 1HB GLN 24 -8.765 1.453 5.562
152 HB3 GLN 24 2HB GLN 24 -9.565 2.432 4.340
153 HG2 GLN 24 1HG GLN 24 -11.630 0.970 4.866
154 HG3 GLN 24 2HG GLN 24 -10.759 0.569 6.345
155 HE21 GLN 24 1HE2 GLN 24 -13.254 2.094 5.855
156 HE22 GLN 24 2HE2 GLN 24 -13.014 3.616 6.637
157 H ASN 25 H ASN 25 -9.525 0.816 1.305
158 HA ASN 25 HA ASN 25 -6.956 0.622 0.356
159 HB2 ASN 25 1HB ASN 25 -8.885 0.828 -1.123
160 HB3 ASN 25 2HB ASN 25 -9.137 2.490 -0.598
161 HD21 ASN 25 1HD2 ASN 25 -9.018 2.630 -3.043
162 HD22 ASN 25 2HD2 ASN 25 -7.462 2.966 -3.714
163 H SER 26 H SER 26 -8.458 3.298 2.032
164 HA SER 26 HA SER 26 -6.558 5.288 1.430
165 HB2 SER 26 1HB SER 26 -7.491 6.516 3.297
166 HB3 SER 26 2HB SER 26 -8.805 5.711 2.438
167 HG SER 26 HG SER 26 -7.682 4.226 4.465
168 H HIS 27 H HIS 27 -6.646 2.755 3.852
169 HA HIS 27 HA HIS 27 -4.536 3.689 5.473
170 HB2 HIS 27 1HB HIS 27 -5.858 1.040 5.047
171 HB3 HIS 27 2HB HIS 27 -4.354 1.103 5.961
172 HD1 HIS 27 HD1 HIS 27 -4.838 1.114 8.374
173 HD2 HIS 27 HD2 HIS 27 -7.672 3.271 6.235
174 HE1 HIS 27 HE1 HIS 27 -6.437 2.014 10.094
175 H LEU 28 H LEU 28 -4.598 1.547 2.656
176 HA LEU 28 HA LEU 28 -1.832 0.917 2.718
177 HB2 LEU 28 1HB LEU 28 -3.181 -0.573 1.528
178 HB3 LEU 28 2HB LEU 28 -3.979 0.721 0.637
179 HG LEU 28 HG LEU 28 -1.920 1.086 -0.653
180 HD11 LEU 28 1HD1 LEU 28 -0.462 -1.239 -0.239
181 HD12 LEU 28 2HD1 LEU 28 -0.820 -0.646 1.382
182 HD13 LEU 28 3HD1 LEU 28 0.002 0.399 0.223
183 HD21 LEU 28 3HD2 LEU 28 -2.807 -1.796 -0.688
184 HD22 LEU 28 1HD2 LEU 28 -2.069 -0.898 -2.015
185 HD23 LEU 28 2HD2 LEU 28 -3.679 -0.462 -1.443
186 H VAL 29 H VAL 29 -3.629 2.966 0.410
187 HA VAL 29 HA VAL 29 -1.617 4.093 -0.995
188 HB VAL 29 HB VAL 29 -4.014 5.571 0.099
189 HG11 VAL 29 1HG1 VAL 29 -2.043 6.942 -0.813
190 HG12 VAL 29 2HG1 VAL 29 -2.502 6.293 -2.389
191 HG13 VAL 29 3HG1 VAL 29 -3.650 7.264 -1.465
192 HG21 VAL 29 3HG2 VAL 29 -4.648 3.611 -1.174
193 HG22 VAL 29 1HG2 VAL 29 -5.002 5.067 -2.104
194 HG23 VAL 29 2HG2 VAL 29 -3.585 4.093 -2.496
195 H ARG 30 H ARG 30 -2.626 5.039 2.260
196 HA ARG 30 HA ARG 30 -0.678 7.156 2.423
197 HB2 ARG 30 1HB ARG 30 -2.933 7.094 3.615
198 HB3 ARG 30 2HB ARG 30 -2.201 5.938 4.721
199 HG2 ARG 30 1HG ARG 30 -0.945 8.610 4.223
200 HG3 ARG 30 2HG ARG 30 -2.253 8.411 5.391
201 HD2 ARG 30 1HD ARG 30 -0.754 6.445 6.264
202 HD3 ARG 30 2HD ARG 30 0.529 7.336 5.447
203 HE ARG 30 HE ARG 30 -0.949 9.088 7.085
204 HH11 ARG 30 1HH1 ARG 30 1.342 6.474 7.286
205 HH12 ARG 30 2HH1 ARG 30 2.013 7.006 8.793
206 HH21 ARG 30 1HH2 ARG 30 -0.074 9.798 9.068
207 HH22 ARG 30 2HH2 ARG 30 1.206 8.896 9.806
208 H HIS 31 H HIS 31 -1.002 3.850 3.608
209 HA HIS 31 HA HIS 31 1.097 3.715 5.389
210 HB2 HIS 31 1HB HIS 31 -0.069 1.744 5.358
211 HB3 HIS 31 2HB HIS 31 -0.253 1.755 3.607
212 HD1 HIS 31 HD1 HIS 31 2.087 0.684 6.322
213 HD2 HIS 31 HD2 HIS 31 1.783 0.476 2.184
214 HE1 HIS 31 HE1 HIS 31 3.850 -0.958 5.600
215 H ARG 32 H ARG 32 1.257 2.925 1.912
216 HA ARG 32 HA ARG 32 3.888 2.365 1.603
217 HB2 ARG 32 1HB ARG 32 3.692 3.553 -0.662
218 HB3 ARG 32 2HB ARG 32 2.566 2.244 -0.330
219 HG2 ARG 32 1HG ARG 32 0.917 4.012 0.397
220 HG3 ARG 32 2HG ARG 32 2.033 5.199 -0.281
221 HD2 ARG 32 1HD ARG 32 0.935 2.871 -1.843
222 HD3 ARG 32 2HD ARG 32 0.171 4.460 -1.805
223 HE ARG 32 HE ARG 32 2.934 4.578 -2.540
224 HH11 ARG 32 1HH1 ARG 32 -0.285 3.981 -3.724
225 HH12 ARG 32 2HH1 ARG 32 0.094 4.420 -5.356
226 HH21 ARG 32 1HH2 ARG 32 3.445 5.158 -4.686
227 HH22 ARG 32 2HH2 ARG 32 2.216 5.088 -5.903
228 H GLY 33 H GLY 33 2.477 5.570 2.022
229 HA2 GLY 33 1HA GLY 33 4.483 7.275 1.375
230 HA3 GLY 33 2HA GLY 33 3.475 7.505 2.796
231 H ILE 34 H ILE 34 4.388 5.208 4.232
232 HA ILE 34 HA ILE 34 6.441 6.243 5.731
233 HB ILE 34 HB ILE 34 6.759 4.078 6.699
234 HG12 ILE 34 1HG1 ILE 34 5.275 2.955 4.312
235 HG13 ILE 34 2HG1 ILE 34 7.009 2.819 4.586
236 HG21 ILE 34 1HG2 ILE 34 4.117 3.368 6.547
237 HG22 ILE 34 2HG2 ILE 34 4.792 4.579 7.636
238 HG23 ILE 34 3HG2 ILE 34 4.083 5.074 6.099
239 HD11 ILE 34 3HD1 ILE 34 5.812 1.843 6.909
240 HD12 ILE 34 1HD1 ILE 34 4.868 1.185 5.572
241 HD13 ILE 34 2HD1 ILE 34 6.611 0.917 5.638
242 H HIS 35 H HIS 35 6.663 4.177 2.878
243 HA HIS 35 HA HIS 35 9.509 3.889 3.030
244 HB2 HIS 35 1HB HIS 35 7.768 3.454 0.601
245 HB3 HIS 35 2HB HIS 35 9.345 2.742 0.934
246 HD1 HIS 35 HD1 HIS 35 9.283 1.190 3.265
247 HD2 HIS 35 HD2 HIS 35 5.741 1.770 1.172
248 HE1 HIS 35 HE1 HIS 35 7.750 -0.657 4.013
249 H THR 36 H THR 36 7.319 5.757 0.937
250 HA THR 36 HA THR 36 9.543 7.618 0.429
251 HB THR 36 HB THR 36 9.283 6.328 -1.595
252 HG1 THR 36 HG1 THR 36 9.646 8.290 -2.350
253 HG21 THR 36 3HG2 THR 36 6.916 5.622 -1.094
254 HG22 THR 36 1HG2 THR 36 7.226 6.072 -2.770
255 HG23 THR 36 2HG2 THR 36 6.398 7.197 -1.694
256 H GLY 37 H GLY 37 9.083 9.650 0.964
257 HA2 GLY 37 1HA GLY 37 7.847 11.615 1.125
258 HA3 GLY 37 2HA GLY 37 6.432 10.739 0.559
259 H GLU 38 H GLU 38 6.119 12.534 2.563
260 HA GLU 38 HA GLU 38 5.372 10.793 4.783
261 HB2 GLU 38 1HB GLU 38 7.266 13.101 4.954
262 HB3 GLU 38 2HB GLU 38 6.181 12.789 6.302
263 HG2 GLU 38 1HG GLU 38 7.798 10.545 5.207
264 HG3 GLU 38 2HG GLU 38 8.580 11.750 6.228
265 H LYS 39 H LYS 39 3.641 11.566 6.031
266 HA LYS 39 HA LYS 39 1.514 12.443 6.085
267 HB2 LYS 39 1HB LYS 39 3.453 14.707 6.270
268 HB3 LYS 39 2HB LYS 39 1.735 15.076 6.199
269 HG2 LYS 39 1HG LYS 39 1.425 13.516 8.143
270 HG3 LYS 39 2HG LYS 39 3.184 13.451 8.272
271 HD2 LYS 39 1HD LYS 39 3.127 15.982 8.409
272 HD3 LYS 39 2HD LYS 39 1.380 15.837 8.613
273 HE2 LYS 39 1HE LYS 39 3.378 14.424 10.369
274 HE3 LYS 39 2HE LYS 39 2.720 16.017 10.740
275 HZ1 LYS 39 3HZ LYS 39 0.929 13.734 10.208
276 HZ2 LYS 39 1HZ LYS 39 0.608 15.160 11.061
277 HZ3 LYS 39 2HZ LYS 39 1.594 13.968 11.746
278 HA PRO 40 HA PRO 40 1.529 13.504 1.481
279 HB2 PRO 40 1HB PRO 40 0.307 11.235 0.627
280 HB3 PRO 40 2HB PRO 40 2.062 11.385 0.768
281 HG2 PRO 40 1HG PRO 40 0.112 10.119 2.654
282 HG3 PRO 40 2HG PRO 40 1.703 9.536 2.131
283 HD2 PRO 40 1HD PRO 40 1.310 10.757 4.515
284 HD3 PRO 40 2HD PRO 40 2.829 10.903 3.607
285 H SER 41 H SER 41 -0.533 13.120 4.021
286 HA SER 41 HA SER 41 -3.007 13.326 2.499
287 HB2 SER 41 1HB SER 41 -4.068 13.381 4.779
288 HB3 SER 41 2HB SER 41 -3.115 11.932 4.459
289 HG SER 41 HG SER 41 -2.416 12.564 6.408
290 H GLY 42 H GLY 42 -1.249 15.442 2.040
291 HA2 GLY 42 1HA GLY 42 -1.766 17.716 1.669
292 HA3 GLY 42 2HA GLY 42 -2.885 17.658 3.023
293 HA PRO 43 HA PRO 43 1.599 18.098 4.836
294 HB2 PRO 43 1HB PRO 43 3.495 18.901 3.067
295 HB3 PRO 43 2HB PRO 43 3.153 17.199 3.402
296 HG2 PRO 43 1HG PRO 43 2.228 18.906 1.122
297 HG3 PRO 43 2HG PRO 43 2.822 17.235 1.100
298 HD2 PRO 43 1HD PRO 43 0.186 17.845 0.997
299 HD3 PRO 43 2HD PRO 43 0.795 16.372 1.779
300 H SER 44 H SER 44 -0.252 20.080 2.924
301 HA SER 44 HA SER 44 1.058 22.538 2.929
302 HB2 SER 44 1HB SER 44 -1.913 22.021 3.209
303 HB3 SER 44 2HB SER 44 -1.175 23.544 2.715
304 HG SER 44 HG SER 44 -1.951 21.880 1.059
305 H SER 45 H SER 45 2.103 23.106 4.776
306 HA SER 45 HA SER 45 0.556 23.218 7.269
307 HB2 SER 45 1HB SER 45 2.752 22.024 7.284
308 HB3 SER 45 2HB SER 45 3.542 23.552 6.893
309 HG SER 45 HG SER 45 1.823 23.425 9.105
310 H GLY 46 H GLY 46 -0.633 25.098 6.831
311 HA2 GLY 46 1HA GLY 46 0.358 27.516 5.873
312 HA3 GLY 46 2HA GLY 46 -1.041 27.354 6.924
Start of MODEL 17
1 H1 GLY 1 H GLY 1 14.841 -6.084 17.164
2 HA2 GLY 1 1HA GLY 1 14.781 -8.805 16.148
3 HA3 GLY 1 2HA GLY 1 14.797 -8.321 17.837
4 H SER 2 H SER 2 12.583 -7.474 15.187
5 HA SER 2 HA SER 2 10.402 -8.693 16.749
6 HB2 SER 2 1HB SER 2 8.925 -6.876 16.038
7 HB3 SER 2 2HB SER 2 10.323 -6.226 16.893
8 HG SER 2 HG SER 2 9.826 -5.088 14.943
9 H SER 3 H SER 3 8.827 -9.786 15.623
10 HA SER 3 HA SER 3 9.577 -10.789 13.052
11 HB2 SER 3 1HB SER 3 8.497 -12.290 14.600
12 HB3 SER 3 2HB SER 3 7.105 -11.217 14.743
13 HG SER 3 HG SER 3 7.892 -12.815 12.555
14 H GLY 4 H GLY 4 6.909 -8.765 14.247
15 HA2 GLY 4 1HA GLY 4 5.320 -7.548 13.085
16 HA3 GLY 4 2HA GLY 4 6.747 -6.946 12.254
17 H SER 5 H SER 5 4.590 -9.784 12.222
18 HA SER 5 HA SER 5 4.235 -9.470 9.358
19 HB2 SER 5 1HB SER 5 4.885 -11.787 8.848
20 HB3 SER 5 2HB SER 5 6.246 -10.877 9.504
21 HG SER 5 HG SER 5 4.630 -12.300 11.284
22 H SER 6 H SER 6 2.144 -9.697 8.970
23 HA SER 6 HA SER 6 0.626 -11.882 10.051
24 HB2 SER 6 1HB SER 6 0.686 -9.927 11.808
25 HB3 SER 6 2HB SER 6 -0.503 -9.191 10.734
26 HG SER 6 HG SER 6 -0.797 -11.850 11.626
27 H GLY 7 H GLY 7 -1.690 -11.782 9.287
28 HA2 GLY 7 1HA GLY 7 -2.691 -10.044 7.400
29 HA3 GLY 7 2HA GLY 7 -1.703 -11.181 6.495
30 H THR 8 H THR 8 -4.711 -10.618 7.972
31 HA THR 8 HA THR 8 -5.512 -13.371 8.196
32 HB THR 8 HB THR 8 -7.203 -10.864 8.245
33 HG1 THR 8 HG1 THR 8 -6.518 -12.412 10.502
34 HG21 THR 8 3HG2 THR 8 -8.827 -12.426 7.948
35 HG22 THR 8 1HG2 THR 8 -8.592 -12.653 9.681
36 HG23 THR 8 2HG2 THR 8 -7.816 -13.747 8.535
37 H GLY 9 H GLY 9 -5.160 -14.228 6.116
38 HA2 GLY 9 1HA GLY 9 -6.052 -15.004 4.125
39 HA3 GLY 9 2HA GLY 9 -7.390 -13.883 4.329
40 H GLU 10 H GLU 10 -5.254 -14.633 2.154
41 HA GLU 10 HA GLU 10 -3.703 -12.426 1.545
42 HB2 GLU 10 1HB GLU 10 -4.969 -14.576 -0.100
43 HB3 GLU 10 2HB GLU 10 -4.206 -13.220 -0.919
44 HG2 GLU 10 1HG GLU 10 -2.623 -14.993 -0.756
45 HG3 GLU 10 2HG GLU 10 -2.122 -13.701 0.332
46 H LYS 11 H LYS 11 -4.648 -10.453 1.859
47 HA LYS 11 HA LYS 11 -7.217 -9.786 0.775
48 HB2 LYS 11 1HB LYS 11 -5.056 -8.278 2.201
49 HB3 LYS 11 2HB LYS 11 -6.348 -7.395 1.399
50 HG2 LYS 11 1HG LYS 11 -8.006 -8.477 2.761
51 HG3 LYS 11 2HG LYS 11 -6.782 -9.522 3.485
52 HD2 LYS 11 1HD LYS 11 -5.916 -7.836 4.782
53 HD3 LYS 11 2HD LYS 11 -6.427 -6.569 3.665
54 HE2 LYS 11 1HE LYS 11 -7.873 -6.274 5.447
55 HE3 LYS 11 2HE LYS 11 -8.823 -7.277 4.352
56 HZ1 LYS 11 3HZ LYS 11 -8.755 -7.930 6.796
57 HZ2 LYS 11 1HZ LYS 11 -7.181 -8.473 6.497
58 HZ3 LYS 11 2HZ LYS 11 -8.483 -9.155 5.661
59 HA PRO 12 HA PRO 12 -6.103 -8.464 -3.262
60 HB2 PRO 12 1HB PRO 12 -7.893 -6.461 -3.658
61 HB3 PRO 12 2HB PRO 12 -8.348 -8.169 -3.650
62 HG2 PRO 12 1HG PRO 12 -8.592 -6.135 -1.468
63 HG3 PRO 12 2HG PRO 12 -9.758 -7.367 -1.985
64 HD2 PRO 12 1HD PRO 12 -8.173 -7.681 0.188
65 HD3 PRO 12 2HD PRO 12 -8.688 -9.046 -0.824
66 H TYR 13 H TYR 13 -6.210 -6.109 -0.673
67 HA TYR 13 HA TYR 13 -4.475 -4.310 -2.223
68 HB2 TYR 13 1HB TYR 13 -6.330 -3.863 0.098
69 HB3 TYR 13 2HB TYR 13 -5.037 -2.720 -0.248
70 HD1 TYR 13 HD2 TYR 13 -7.146 -4.604 -2.663
71 HD2 TYR 13 HD1 TYR 13 -6.186 -0.817 -0.978
72 HE1 TYR 13 HE2 TYR 13 -8.572 -3.504 -4.338
73 HE2 TYR 13 HE1 TYR 13 -7.610 0.294 -2.647
74 HH TYR 13 HH TYR 13 -8.470 -0.240 -4.981
75 H LYS 14 H LYS 14 -2.450 -5.097 -1.924
76 HA LYS 14 HA LYS 14 -1.445 -5.094 0.838
77 HB2 LYS 14 1HB LYS 14 -1.769 -7.430 0.114
78 HB3 LYS 14 2HB LYS 14 -0.733 -7.136 -1.277
79 HG2 LYS 14 1HG LYS 14 1.164 -6.756 0.161
80 HG3 LYS 14 2HG LYS 14 0.145 -6.905 1.595
81 HD2 LYS 14 1HD LYS 14 -0.434 -9.243 0.535
82 HD3 LYS 14 2HD LYS 14 1.113 -9.010 -0.283
83 HE2 LYS 14 1HE LYS 14 2.229 -8.737 1.853
84 HE3 LYS 14 2HE LYS 14 0.689 -8.866 2.701
85 HZ1 LYS 14 3HZ LYS 14 1.483 -10.989 2.878
86 HZ2 LYS 14 1HZ LYS 14 2.262 -10.961 1.377
87 HZ3 LYS 14 2HZ LYS 14 0.581 -11.133 1.454
88 H CYS 15 H CYS 15 0.501 -4.129 1.131
89 HA CYS 15 HA CYS 15 1.536 -2.531 -1.010
90 HB2 CYS 15 1HB CYS 15 1.474 -1.755 1.348
91 HB3 CYS 15 2HB CYS 15 2.669 -2.980 1.759
92 H ASN 16 H ASN 16 2.851 -3.272 -2.528
93 HA ASN 16 HA ASN 16 4.259 -5.734 -2.296
94 HB2 ASN 16 1HB ASN 16 3.563 -5.158 -4.478
95 HB3 ASN 16 2HB ASN 16 4.240 -3.537 -4.356
96 HD21 ASN 16 1HD2 ASN 16 5.253 -6.931 -4.199
97 HD22 ASN 16 2HD2 ASN 16 6.730 -6.708 -5.067
98 H GLU 17 H GLU 17 5.027 -2.443 -1.592
99 HA GLU 17 HA GLU 17 7.803 -2.450 -1.824
100 HB2 GLU 17 1HB GLU 17 6.232 -1.028 0.328
101 HB3 GLU 17 2HB GLU 17 7.805 -0.577 -0.313
102 HG2 GLU 17 1HG GLU 17 5.188 -0.518 -1.795
103 HG3 GLU 17 2HG GLU 17 6.090 0.872 -1.195
104 H CYS 18 H CYS 18 5.817 -3.193 1.040
105 HA CYS 18 HA CYS 18 8.143 -4.610 2.168
106 HB2 CYS 18 1HB CYS 18 7.058 -4.201 4.395
107 HB3 CYS 18 2HB CYS 18 7.604 -2.742 3.574
108 H GLY 19 H GLY 19 4.581 -4.616 2.069
109 HA2 GLY 19 1HA GLY 19 3.570 -6.745 1.285
110 HA3 GLY 19 2HA GLY 19 4.699 -7.556 2.360
111 H LYS 20 H LYS 20 2.357 -4.877 2.633
112 HA LYS 20 HA LYS 20 1.218 -6.255 4.973
113 HB2 LYS 20 1HB LYS 20 2.103 -3.421 4.667
114 HB3 LYS 20 2HB LYS 20 0.698 -3.753 5.671
115 HG2 LYS 20 1HG LYS 20 1.957 -5.095 7.154
116 HG3 LYS 20 2HG LYS 20 3.335 -5.142 6.052
117 HD2 LYS 20 1HD LYS 20 3.453 -2.620 6.330
118 HD3 LYS 20 2HD LYS 20 2.319 -2.816 7.668
119 HE2 LYS 20 1HE LYS 20 3.891 -4.313 8.786
120 HE3 LYS 20 2HE LYS 20 5.018 -4.145 7.440
121 HZ1 LYS 20 3HZ LYS 20 5.216 -1.796 7.931
122 HZ2 LYS 20 1HZ LYS 20 5.607 -2.711 9.300
123 HZ3 LYS 20 2HZ LYS 20 4.108 -1.934 9.202
124 H VAL 21 H VAL 21 -0.938 -6.484 4.978
125 HA VAL 21 HA VAL 21 -2.426 -5.371 2.720
126 HB VAL 21 HB VAL 21 -4.248 -6.937 3.549
127 HG11 VAL 21 1HG1 VAL 21 -1.589 -7.900 2.541
128 HG12 VAL 21 2HG1 VAL 21 -2.963 -8.992 2.728
129 HG13 VAL 21 3HG1 VAL 21 -3.075 -7.610 1.637
130 HG21 VAL 21 3HG2 VAL 21 -3.235 -7.127 5.851
131 HG22 VAL 21 1HG2 VAL 21 -3.709 -8.650 5.099
132 HG23 VAL 21 2HG2 VAL 21 -2.010 -8.177 5.138
133 H PHE 22 H PHE 22 -4.648 -4.592 3.105
134 HA PHE 22 HA PHE 22 -5.201 -3.554 5.764
135 HB2 PHE 22 1HB PHE 22 -4.964 -1.710 3.378
136 HB3 PHE 22 2HB PHE 22 -5.460 -1.246 5.002
137 HD1 PHE 22 HD1 PHE 22 -3.835 -1.175 6.826
138 HD2 PHE 22 HD2 PHE 22 -2.664 -2.071 2.832
139 HE1 PHE 22 HE1 PHE 22 -1.487 -0.736 7.419
140 HE2 PHE 22 HE2 PHE 22 -0.316 -1.634 3.419
141 HZ PHE 22 HZ PHE 22 0.276 -0.966 5.715
142 H THR 23 H THR 23 -7.367 -2.559 5.898
143 HA THR 23 HA THR 23 -9.248 -4.099 4.327
144 HB THR 23 HB THR 23 -10.965 -3.161 5.818
145 HG1 THR 23 HG1 THR 23 -9.919 -1.922 7.682
146 HG21 THR 23 3HG2 THR 23 -8.552 -4.104 7.368
147 HG22 THR 23 1HG2 THR 23 -9.657 -5.162 6.492
148 HG23 THR 23 2HG2 THR 23 -10.240 -4.221 7.865
149 H GLN 24 H GLN 24 -8.575 -0.663 4.938
150 HA GLN 24 HA GLN 24 -10.231 0.002 2.598
151 HB2 GLN 24 1HB GLN 24 -10.734 0.978 4.944
152 HB3 GLN 24 2HB GLN 24 -9.330 1.998 4.654
153 HG2 GLN 24 1HG GLN 24 -11.379 3.153 4.074
154 HG3 GLN 24 2HG GLN 24 -10.379 2.890 2.646
155 HE21 GLN 24 1HE2 GLN 24 -12.833 1.067 4.457
156 HE22 GLN 24 2HE2 GLN 24 -13.767 0.621 3.073
157 H ASN 25 H ASN 25 -9.427 1.340 0.994
158 HA ASN 25 HA ASN 25 -6.712 1.128 0.376
159 HB2 ASN 25 1HB ASN 25 -8.586 1.575 -1.244
160 HB3 ASN 25 2HB ASN 25 -8.598 3.242 -0.678
161 HD21 ASN 25 1HD2 ASN 25 -7.459 4.608 -1.832
162 HD22 ASN 25 2HD2 ASN 25 -6.102 4.220 -2.828
163 H SER 26 H SER 26 -8.521 3.710 1.949
164 HA SER 26 HA SER 26 -6.602 5.720 1.922
165 HB2 SER 26 1HB SER 26 -8.485 5.168 4.223
166 HB3 SER 26 2HB SER 26 -7.804 6.722 3.743
167 HG SER 26 HG SER 26 -9.533 6.913 2.576
168 H HIS 27 H HIS 27 -6.859 2.868 3.925
169 HA HIS 27 HA HIS 27 -4.936 3.668 5.871
170 HB2 HIS 27 1HB HIS 27 -6.193 1.044 5.119
171 HB3 HIS 27 2HB HIS 27 -4.876 1.107 6.286
172 HD1 HIS 27 HD1 HIS 27 -6.599 0.225 8.074
173 HD2 HIS 27 HD2 HIS 27 -7.420 3.998 6.539
174 HE1 HIS 27 HE1 HIS 27 -8.289 1.234 9.638
175 H LEU 28 H LEU 28 -4.783 2.039 2.779
176 HA LEU 28 HA LEU 28 -1.992 1.330 3.111
177 HB2 LEU 28 1HB LEU 28 -3.310 -0.231 1.906
178 HB3 LEU 28 2HB LEU 28 -3.952 1.027 0.851
179 HG LEU 28 HG LEU 28 -1.702 1.282 -0.148
180 HD11 LEU 28 1HD1 LEU 28 -0.721 0.126 2.049
181 HD12 LEU 28 2HD1 LEU 28 0.123 0.113 0.502
182 HD13 LEU 28 3HD1 LEU 28 -0.816 -1.292 1.005
183 HD21 LEU 28 3HD2 LEU 28 -1.842 -0.630 -1.538
184 HD22 LEU 28 1HD2 LEU 28 -3.493 -0.249 -1.048
185 HD23 LEU 28 2HD2 LEU 28 -2.629 -1.579 -0.276
186 H VAL 29 H VAL 29 -3.794 3.257 0.704
187 HA VAL 29 HA VAL 29 -1.869 4.444 -0.714
188 HB VAL 29 HB VAL 29 -4.409 4.967 -0.641
189 HG11 VAL 29 1HG1 VAL 29 -5.018 7.036 0.448
190 HG12 VAL 29 2HG1 VAL 29 -4.364 5.912 1.641
191 HG13 VAL 29 3HG1 VAL 29 -3.371 7.242 1.044
192 HG21 VAL 29 3HG2 VAL 29 -4.068 6.643 -2.170
193 HG22 VAL 29 1HG2 VAL 29 -2.797 7.405 -1.213
194 HG23 VAL 29 2HG2 VAL 29 -2.456 5.930 -2.117
195 H ARG 30 H ARG 30 -2.677 5.277 2.618
196 HA ARG 30 HA ARG 30 -0.811 7.453 2.752
197 HB2 ARG 30 1HB ARG 30 -2.859 7.322 4.159
198 HB3 ARG 30 2HB ARG 30 -2.152 5.954 5.009
199 HG2 ARG 30 1HG ARG 30 -0.546 7.266 6.049
200 HG3 ARG 30 2HG ARG 30 -0.713 8.572 4.874
201 HD2 ARG 30 1HD ARG 30 -2.922 7.769 6.752
202 HD3 ARG 30 2HD ARG 30 -1.712 8.982 7.166
203 HE ARG 30 HE ARG 30 -2.925 9.577 4.673
204 HH11 ARG 30 1HH1 ARG 30 -3.494 9.660 8.107
205 HH12 ARG 30 2HH1 ARG 30 -4.619 10.975 8.020
206 HH21 ARG 30 1HH2 ARG 30 -4.405 11.308 4.546
207 HH22 ARG 30 2HH2 ARG 30 -5.137 11.911 5.994
208 H HIS 31 H HIS 31 -0.901 4.179 4.158
209 HA HIS 31 HA HIS 31 1.508 4.149 5.468
210 HB2 HIS 31 1HB HIS 31 0.354 2.199 5.817
211 HB3 HIS 31 2HB HIS 31 -0.143 2.064 4.133
212 HD1 HIS 31 HD1 HIS 31 2.375 0.889 6.533
213 HD2 HIS 31 HD2 HIS 31 1.892 0.967 2.407
214 HE1 HIS 31 HE1 HIS 31 4.060 -0.745 5.628
215 H ARG 32 H ARG 32 1.009 3.040 2.112
216 HA ARG 32 HA ARG 32 3.451 2.384 1.276
217 HB2 ARG 32 1HB ARG 32 1.195 2.973 -0.039
218 HB3 ARG 32 2HB ARG 32 2.133 4.397 -0.469
219 HG2 ARG 32 1HG ARG 32 3.821 3.075 -1.497
220 HG3 ARG 32 2HG ARG 32 3.117 1.584 -0.866
221 HD2 ARG 32 1HD ARG 32 1.425 1.571 -2.403
222 HD3 ARG 32 2HD ARG 32 1.406 3.327 -2.556
223 HE ARG 32 HE ARG 32 3.800 2.570 -3.630
224 HH11 ARG 32 1HH1 ARG 32 0.466 1.755 -4.213
225 HH12 ARG 32 2HH1 ARG 32 0.703 1.436 -5.899
226 HH21 ARG 32 1HH2 ARG 32 4.125 2.153 -5.849
227 HH22 ARG 32 2HH2 ARG 32 2.784 1.662 -6.829
228 H GLY 33 H GLY 33 2.451 5.645 2.092
229 HA2 GLY 33 1HA GLY 33 4.443 7.192 1.013
230 HA3 GLY 33 2HA GLY 33 3.714 7.506 2.581
231 H ILE 34 H ILE 34 4.601 5.486 4.136
232 HA ILE 34 HA ILE 34 6.976 6.230 5.138
233 HB ILE 34 HB ILE 34 7.262 4.065 6.126
234 HG12 ILE 34 1HG1 ILE 34 5.170 2.941 4.269
235 HG13 ILE 34 2HG1 ILE 34 6.888 2.861 3.894
236 HG21 ILE 34 1HG2 ILE 34 4.745 5.428 6.066
237 HG22 ILE 34 2HG2 ILE 34 4.482 3.701 6.303
238 HG23 ILE 34 3HG2 ILE 34 5.528 4.594 7.407
239 HD11 ILE 34 3HD1 ILE 34 5.966 0.807 4.930
240 HD12 ILE 34 1HD1 ILE 34 7.310 1.520 5.822
241 HD13 ILE 34 2HD1 ILE 34 5.656 1.738 6.395
242 H HIS 35 H HIS 35 6.514 4.374 2.225
243 HA HIS 35 HA HIS 35 9.330 3.736 1.971
244 HB2 HIS 35 1HB HIS 35 7.033 3.316 0.046
245 HB3 HIS 35 2HB HIS 35 8.666 2.690 -0.164
246 HD1 HIS 35 HD1 HIS 35 9.440 0.903 1.701
247 HD2 HIS 35 HD2 HIS 35 5.370 1.712 1.496
248 HE1 HIS 35 HE1 HIS 35 8.317 -0.988 2.919
249 H THR 36 H THR 36 6.948 5.759 0.278
250 HA THR 36 HA THR 36 9.170 7.428 -0.679
251 HB THR 36 HB THR 36 8.715 6.394 -2.686
252 HG1 THR 36 HG1 THR 36 7.503 7.881 -3.905
253 HG21 THR 36 3HG2 THR 36 6.019 6.224 -3.185
254 HG22 THR 36 1HG2 THR 36 6.114 5.869 -1.460
255 HG23 THR 36 2HG2 THR 36 7.038 4.904 -2.612
256 H GLY 37 H GLY 37 8.903 9.524 -0.248
257 HA2 GLY 37 1HA GLY 37 7.020 11.298 -0.585
258 HA3 GLY 37 2HA GLY 37 6.279 10.402 0.733
259 H GLU 38 H GLU 38 9.642 11.412 0.148
260 HA GLU 38 HA GLU 38 9.520 12.926 2.671
261 HB2 GLU 38 1HB GLU 38 11.811 12.240 3.159
262 HB3 GLU 38 2HB GLU 38 10.764 10.837 2.996
263 HG2 GLU 38 1HG GLU 38 11.588 10.527 0.694
264 HG3 GLU 38 2HG GLU 38 12.691 11.881 0.934
265 H LYS 39 H LYS 39 9.967 13.080 -0.598
266 HA LYS 39 HA LYS 39 10.898 15.778 -0.497
267 HB2 LYS 39 1HB LYS 39 12.995 14.256 -0.307
268 HB3 LYS 39 2HB LYS 39 12.718 13.930 -2.013
269 HG2 LYS 39 1HG LYS 39 12.947 16.275 -2.539
270 HG3 LYS 39 2HG LYS 39 13.104 16.671 -0.826
271 HD2 LYS 39 1HD LYS 39 15.177 15.435 -0.691
272 HD3 LYS 39 2HD LYS 39 14.996 14.889 -2.359
273 HE2 LYS 39 1HE LYS 39 15.031 17.813 -1.750
274 HE3 LYS 39 2HE LYS 39 16.546 16.914 -1.795
275 HZ1 LYS 39 3HZ LYS 39 15.273 16.124 -4.057
276 HZ2 LYS 39 1HZ LYS 39 16.490 17.296 -3.973
277 HZ3 LYS 39 2HZ LYS 39 14.864 17.762 -3.957
278 HA PRO 40 HA PRO 40 8.479 15.784 -4.183
279 HB2 PRO 40 1HB PRO 40 9.208 18.220 -5.134
280 HB3 PRO 40 2HB PRO 40 8.119 18.012 -3.756
281 HG2 PRO 40 1HG PRO 40 11.049 18.625 -3.779
282 HG3 PRO 40 2HG PRO 40 9.768 19.327 -2.776
283 HD2 PRO 40 1HD PRO 40 11.444 17.406 -1.864
284 HD3 PRO 40 2HD PRO 40 9.761 17.544 -1.315
285 H SER 41 H SER 41 11.749 15.364 -4.079
286 HA SER 41 HA SER 41 12.961 15.957 -6.380
287 HB2 SER 41 1HB SER 41 13.618 14.261 -4.472
288 HB3 SER 41 2HB SER 41 13.032 13.061 -5.624
289 HG SER 41 HG SER 41 14.502 14.407 -7.122
290 H GLY 42 H GLY 42 10.825 13.109 -6.093
291 HA2 GLY 42 1HA GLY 42 9.145 13.182 -8.072
292 HA3 GLY 42 2HA GLY 42 10.617 13.054 -9.024
293 HA PRO 43 HA PRO 43 8.980 8.860 -7.310
294 HB2 PRO 43 1HB PRO 43 7.258 8.121 -9.275
295 HB3 PRO 43 2HB PRO 43 6.746 8.999 -7.829
296 HG2 PRO 43 1HG PRO 43 7.315 10.042 -10.577
297 HG3 PRO 43 2HG PRO 43 5.986 10.453 -9.478
298 HD2 PRO 43 1HD PRO 43 8.167 12.029 -9.779
299 HD3 PRO 43 2HD PRO 43 7.288 11.899 -8.242
300 H SER 44 H SER 44 8.820 6.759 -8.866
301 HA SER 44 HA SER 44 10.729 6.978 -11.062
302 HB2 SER 44 1HB SER 44 12.174 6.539 -9.165
303 HB3 SER 44 2HB SER 44 11.152 5.197 -8.651
304 HG SER 44 HG SER 44 12.278 5.192 -11.225
305 H SER 45 H SER 45 10.290 5.614 -12.695
306 HA SER 45 HA SER 45 7.924 4.395 -13.103
307 HB2 SER 45 1HB SER 45 9.840 4.635 -14.753
308 HB3 SER 45 2HB SER 45 10.494 3.141 -14.081
309 HG SER 45 HG SER 45 7.842 3.307 -15.042
310 H GLY 46 H GLY 46 6.931 2.456 -12.705
311 HA2 GLY 46 1HA GLY 46 7.800 1.020 -10.384
312 HA3 GLY 46 2HA GLY 46 6.383 0.663 -11.360
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -3.746 -35.744 4.967
2 HA2 GLY 1 1HA GLY 1 -4.039 -33.968 6.676
3 HA3 GLY 1 2HA GLY 1 -3.001 -33.430 5.364
4 H SER 2 H SER 2 -5.379 -32.407 7.266
5 HA SER 2 HA SER 2 -6.677 -30.813 5.155
6 HB2 SER 2 1HB SER 2 -8.606 -30.607 6.575
7 HB3 SER 2 2HB SER 2 -8.168 -32.314 6.522
8 HG SER 2 HG SER 2 -8.029 -30.501 8.625
9 H SER 3 H SER 3 -6.704 -28.615 5.303
10 HA SER 3 HA SER 3 -5.574 -27.351 7.690
11 HB2 SER 3 1HB SER 3 -4.028 -26.002 6.393
12 HB3 SER 3 2HB SER 3 -3.715 -27.707 6.067
13 HG SER 3 HG SER 3 -5.291 -27.263 4.224
14 H GLY 4 H GLY 4 -5.780 -24.905 7.534
15 HA2 GLY 4 1HA GLY 4 -6.940 -23.005 6.668
16 HA3 GLY 4 2HA GLY 4 -8.088 -24.095 5.904
17 H SER 5 H SER 5 -7.203 -22.440 8.826
18 HA SER 5 HA SER 5 -9.535 -23.520 10.230
19 HB2 SER 5 1HB SER 5 -7.380 -23.465 11.441
20 HB3 SER 5 2HB SER 5 -7.330 -21.712 11.253
21 HG SER 5 HG SER 5 -9.636 -22.775 12.375
22 H SER 6 H SER 6 -10.153 -21.902 8.074
23 HA SER 6 HA SER 6 -11.213 -19.978 7.425
24 HB2 SER 6 1HB SER 6 -13.164 -19.504 8.682
25 HB3 SER 6 2HB SER 6 -12.842 -21.214 8.967
26 HG SER 6 HG SER 6 -12.629 -19.044 10.701
27 H GLY 7 H GLY 7 -8.660 -19.394 8.291
28 HA2 GLY 7 1HA GLY 7 -9.082 -16.728 9.469
29 HA3 GLY 7 2HA GLY 7 -7.825 -17.775 10.111
30 H THR 8 H THR 8 -6.398 -18.719 8.222
31 HA THR 8 HA THR 8 -4.834 -16.677 7.232
32 HB THR 8 HB THR 8 -3.898 -18.347 5.632
33 HG1 THR 8 HG1 THR 8 -4.949 -20.155 5.236
34 HG21 THR 8 3HG2 THR 8 -4.302 -19.586 8.346
35 HG22 THR 8 1HG2 THR 8 -3.265 -18.184 8.089
36 HG23 THR 8 2HG2 THR 8 -2.898 -19.712 7.287
37 H GLY 9 H GLY 9 -5.737 -15.039 6.093
38 HA2 GLY 9 1HA GLY 9 -7.094 -15.776 3.572
39 HA3 GLY 9 2HA GLY 9 -7.593 -14.403 4.549
40 H GLU 10 H GLU 10 -6.671 -14.555 1.740
41 HA GLU 10 HA GLU 10 -4.217 -12.949 1.900
42 HB2 GLU 10 1HB GLU 10 -4.067 -14.870 0.417
43 HB3 GLU 10 2HB GLU 10 -5.505 -14.348 -0.449
44 HG2 GLU 10 1HG GLU 10 -3.869 -13.617 -1.860
45 HG3 GLU 10 2HG GLU 10 -4.105 -12.181 -0.865
46 H LYS 11 H LYS 11 -4.765 -10.873 2.214
47 HA LYS 11 HA LYS 11 -7.127 -9.677 1.172
48 HB2 LYS 11 1HB LYS 11 -5.553 -9.016 3.202
49 HB3 LYS 11 2HB LYS 11 -4.784 -8.015 1.978
50 HG2 LYS 11 1HG LYS 11 -6.382 -6.669 3.097
51 HG3 LYS 11 2HG LYS 11 -7.031 -7.028 1.495
52 HD2 LYS 11 1HD LYS 11 -8.138 -9.052 2.775
53 HD3 LYS 11 2HD LYS 11 -7.916 -7.994 4.170
54 HE2 LYS 11 1HE LYS 11 -9.287 -7.152 1.622
55 HE3 LYS 11 2HE LYS 11 -10.138 -7.788 3.029
56 HZ1 LYS 11 3HZ LYS 11 -10.183 -5.723 3.795
57 HZ2 LYS 11 1HZ LYS 11 -9.171 -5.163 2.561
58 HZ3 LYS 11 2HZ LYS 11 -8.504 -5.787 3.984
59 HA PRO 12 HA PRO 12 -5.701 -8.822 -2.928
60 HB2 PRO 12 1HB PRO 12 -7.680 -7.100 -3.628
61 HB3 PRO 12 2HB PRO 12 -7.918 -8.849 -3.530
62 HG2 PRO 12 1HG PRO 12 -8.619 -6.727 -1.538
63 HG3 PRO 12 2HG PRO 12 -9.569 -8.131 -2.058
64 HD2 PRO 12 1HD PRO 12 -8.171 -8.095 0.261
65 HD3 PRO 12 2HD PRO 12 -8.415 -9.578 -0.684
66 H TYR 13 H TYR 13 -5.963 -6.548 -0.385
67 HA TYR 13 HA TYR 13 -4.593 -4.495 -1.990
68 HB2 TYR 13 1HB TYR 13 -6.323 -4.302 0.467
69 HB3 TYR 13 2HB TYR 13 -5.256 -2.988 -0.017
70 HD1 TYR 13 HD2 TYR 13 -7.382 -5.256 -2.080
71 HD2 TYR 13 HD1 TYR 13 -6.634 -1.277 -0.770
72 HE1 TYR 13 HE2 TYR 13 -9.109 -4.429 -3.623
73 HE2 TYR 13 HE1 TYR 13 -8.360 -0.440 -2.309
74 HH TYR 13 HH TYR 13 -9.761 -2.409 -4.746
75 H LYS 14 H LYS 14 -2.538 -5.466 -1.775
76 HA LYS 14 HA LYS 14 -1.375 -5.213 0.922
77 HB2 LYS 14 1HB LYS 14 -1.557 -7.575 0.102
78 HB3 LYS 14 2HB LYS 14 -0.485 -7.146 -1.225
79 HG2 LYS 14 1HG LYS 14 1.331 -6.771 0.235
80 HG3 LYS 14 2HG LYS 14 0.288 -6.804 1.658
81 HD2 LYS 14 1HD LYS 14 0.075 -9.100 1.612
82 HD3 LYS 14 2HD LYS 14 0.419 -9.202 -0.117
83 HE2 LYS 14 1HE LYS 14 2.476 -8.383 1.922
84 HE3 LYS 14 2HE LYS 14 2.223 -10.058 1.436
85 HZ1 LYS 14 3HZ LYS 14 3.744 -8.096 0.150
86 HZ2 LYS 14 1HZ LYS 14 2.457 -8.496 -0.874
87 HZ3 LYS 14 2HZ LYS 14 3.502 -9.704 -0.317
88 H CYS 15 H CYS 15 0.669 -4.302 1.094
89 HA CYS 15 HA CYS 15 1.341 -2.383 -0.894
90 HB2 CYS 15 1HB CYS 15 1.731 -1.986 1.502
91 HB3 CYS 15 2HB CYS 15 2.914 -3.289 1.526
92 H ASN 16 H ASN 16 2.378 -2.776 -2.724
93 HA ASN 16 HA ASN 16 3.917 -5.195 -3.075
94 HB2 ASN 16 1HB ASN 16 2.354 -3.911 -4.784
95 HB3 ASN 16 2HB ASN 16 3.843 -3.042 -5.145
96 HD21 ASN 16 1HD2 ASN 16 2.475 -6.284 -4.884
97 HD22 ASN 16 2HD2 ASN 16 3.479 -6.999 -6.095
98 H GLU 17 H GLU 17 5.022 -3.460 -1.146
99 HA GLU 17 HA GLU 17 7.588 -2.851 -2.438
100 HB2 GLU 17 1HB GLU 17 6.224 -1.104 -0.382
101 HB3 GLU 17 2HB GLU 17 7.826 -0.837 -1.053
102 HG2 GLU 17 1HG GLU 17 6.681 -0.733 -3.322
103 HG3 GLU 17 2HG GLU 17 5.170 -0.608 -2.422
104 H CYS 18 H CYS 18 5.861 -3.436 0.597
105 HA CYS 18 HA CYS 18 8.299 -4.720 1.638
106 HB2 CYS 18 1HB CYS 18 7.680 -3.969 3.890
107 HB3 CYS 18 2HB CYS 18 7.911 -2.600 2.808
108 H GLY 19 H GLY 19 4.756 -4.561 1.887
109 HA2 GLY 19 1HA GLY 19 3.616 -6.739 1.495
110 HA3 GLY 19 2HA GLY 19 4.791 -7.429 2.604
111 H LYS 20 H LYS 20 2.068 -5.202 2.355
112 HA LYS 20 HA LYS 20 1.248 -5.960 5.042
113 HB2 LYS 20 1HB LYS 20 2.158 -3.239 4.261
114 HB3 LYS 20 2HB LYS 20 0.739 -3.344 5.294
115 HG2 LYS 20 1HG LYS 20 1.978 -4.549 6.964
116 HG3 LYS 20 2HG LYS 20 3.390 -4.631 5.908
117 HD2 LYS 20 1HD LYS 20 3.794 -2.878 7.460
118 HD3 LYS 20 2HD LYS 20 3.407 -2.112 5.917
119 HE2 LYS 20 1HE LYS 20 2.073 -0.875 7.290
120 HE3 LYS 20 2HE LYS 20 0.956 -2.187 6.915
121 HZ1 LYS 20 3HZ LYS 20 0.896 -1.861 9.240
122 HZ2 LYS 20 1HZ LYS 20 2.583 -1.847 9.369
123 HZ3 LYS 20 2HZ LYS 20 1.776 -3.285 8.990
124 H VAL 21 H VAL 21 -0.901 -6.196 5.183
125 HA VAL 21 HA VAL 21 -2.516 -5.324 2.891
126 HB VAL 21 HB VAL 21 -4.154 -6.985 3.572
127 HG11 VAL 21 1HG1 VAL 21 -2.792 -8.086 2.139
128 HG12 VAL 21 2HG1 VAL 21 -1.337 -7.723 3.069
129 HG13 VAL 21 3HG1 VAL 21 -2.414 -9.022 3.584
130 HG21 VAL 21 3HG2 VAL 21 -3.986 -8.327 5.482
131 HG22 VAL 21 1HG2 VAL 21 -2.294 -7.903 5.741
132 HG23 VAL 21 2HG2 VAL 21 -3.559 -6.713 6.050
133 H PHE 22 H PHE 22 -4.605 -4.411 3.233
134 HA PHE 22 HA PHE 22 -5.137 -3.358 5.912
135 HB2 PHE 22 1HB PHE 22 -5.109 -1.637 3.424
136 HB3 PHE 22 2HB PHE 22 -5.534 -1.108 5.049
137 HD1 PHE 22 HD2 PHE 22 -2.727 -2.663 3.158
138 HD2 PHE 22 HD1 PHE 22 -3.917 -0.144 6.376
139 HE1 PHE 22 HE2 PHE 22 -0.371 -2.100 3.584
140 HE2 PHE 22 HE1 PHE 22 -1.562 0.423 6.808
141 HZ PHE 22 HZ PHE 22 0.215 -0.557 5.412
142 H THR 23 H THR 23 -7.338 -2.248 5.957
143 HA THR 23 HA THR 23 -9.237 -4.029 4.661
144 HB THR 23 HB THR 23 -9.568 -3.647 7.026
145 HG1 THR 23 HG1 THR 23 -11.438 -3.779 5.577
146 HG21 THR 23 3HG2 THR 23 -9.666 -0.738 6.249
147 HG22 THR 23 1HG2 THR 23 -8.571 -1.521 7.387
148 HG23 THR 23 2HG2 THR 23 -10.279 -1.342 7.788
149 H GLN 24 H GLN 24 -8.230 -0.685 4.568
150 HA GLN 24 HA GLN 24 -10.106 -0.242 2.344
151 HB2 GLN 24 1HB GLN 24 -10.759 0.953 4.470
152 HB3 GLN 24 2HB GLN 24 -9.273 1.882 4.320
153 HG2 GLN 24 1HG GLN 24 -11.102 3.166 3.458
154 HG3 GLN 24 2HG GLN 24 -10.042 2.701 2.128
155 HE21 GLN 24 1HE2 GLN 24 -13.147 2.272 3.609
156 HE22 GLN 24 2HE2 GLN 24 -13.887 1.426 2.297
157 H ASN 25 H ASN 25 -9.405 1.339 0.768
158 HA ASN 25 HA ASN 25 -6.677 1.013 0.062
159 HB2 ASN 25 1HB ASN 25 -7.182 2.252 -1.891
160 HB3 ASN 25 2HB ASN 25 -8.656 1.366 -1.511
161 HD21 ASN 25 1HD2 ASN 25 -7.159 4.453 -1.768
162 HD22 ASN 25 2HD2 ASN 25 -8.577 5.404 -1.504
163 H SER 26 H SER 26 -8.533 3.894 1.044
164 HA SER 26 HA SER 26 -6.527 5.769 1.035
165 HB2 SER 26 1HB SER 26 -7.868 7.079 2.485
166 HB3 SER 26 2HB SER 26 -9.008 6.086 1.577
167 HG SER 26 HG SER 26 -9.043 6.275 4.078
168 H HIS 27 H HIS 27 -7.168 3.279 3.421
169 HA HIS 27 HA HIS 27 -5.333 4.266 5.371
170 HB2 HIS 27 1HB HIS 27 -6.777 1.660 4.976
171 HB3 HIS 27 2HB HIS 27 -5.549 1.827 6.227
172 HD1 HIS 27 HD1 HIS 27 -6.653 2.186 8.399
173 HD2 HIS 27 HD2 HIS 27 -8.644 4.146 5.324
174 HE1 HIS 27 HE1 HIS 27 -8.559 3.402 9.500
175 H LEU 28 H LEU 28 -5.111 2.105 2.629
176 HA LEU 28 HA LEU 28 -2.514 1.094 3.311
177 HB2 LEU 28 1HB LEU 28 -3.832 -0.329 1.989
178 HB3 LEU 28 2HB LEU 28 -4.241 0.962 0.861
179 HG LEU 28 HG LEU 28 -1.808 0.940 0.160
180 HD11 LEU 28 1HD1 LEU 28 -0.546 -1.092 0.618
181 HD12 LEU 28 2HD1 LEU 28 -1.841 -1.673 1.664
182 HD13 LEU 28 3HD1 LEU 28 -0.924 -0.234 2.112
183 HD21 LEU 28 3HD2 LEU 28 -2.553 -0.235 -1.570
184 HD22 LEU 28 1HD2 LEU 28 -3.991 -0.623 -0.626
185 HD23 LEU 28 2HD2 LEU 28 -2.605 -1.713 -0.609
186 H VAL 29 H VAL 29 -3.691 3.274 0.743
187 HA VAL 29 HA VAL 29 -1.323 4.016 -0.401
188 HB VAL 29 HB VAL 29 -3.727 4.792 -0.948
189 HG11 VAL 29 1HG1 VAL 29 -4.400 6.927 -0.115
190 HG12 VAL 29 2HG1 VAL 29 -4.034 5.902 1.274
191 HG13 VAL 29 3HG1 VAL 29 -2.879 7.130 0.754
192 HG21 VAL 29 3HG2 VAL 29 -1.923 7.096 -1.303
193 HG22 VAL 29 1HG2 VAL 29 -1.302 5.541 -1.855
194 HG23 VAL 29 2HG2 VAL 29 -2.822 6.163 -2.498
195 H ARG 30 H ARG 30 -2.652 5.097 2.663
196 HA ARG 30 HA ARG 30 -0.908 7.260 3.115
197 HB2 ARG 30 1HB ARG 30 -2.356 5.457 5.060
198 HB3 ARG 30 2HB ARG 30 -1.502 6.923 5.524
199 HG2 ARG 30 1HG ARG 30 -3.560 7.137 3.399
200 HG3 ARG 30 2HG ARG 30 -4.102 6.897 5.062
201 HD2 ARG 30 1HD ARG 30 -4.027 9.198 4.916
202 HD3 ARG 30 2HD ARG 30 -2.444 8.826 5.598
203 HE ARG 30 HE ARG 30 -1.906 8.869 2.980
204 HH11 ARG 30 1HH1 ARG 30 -3.680 11.077 5.004
205 HH12 ARG 30 2HH1 ARG 30 -3.282 12.472 4.056
206 HH21 ARG 30 1HH2 ARG 30 -1.375 10.697 1.723
207 HH22 ARG 30 2HH2 ARG 30 -1.971 12.254 2.189
208 H HIS 31 H HIS 31 -0.734 3.871 4.193
209 HA HIS 31 HA HIS 31 1.639 4.008 5.620
210 HB2 HIS 31 1HB HIS 31 0.574 1.978 5.876
211 HB3 HIS 31 2HB HIS 31 0.213 1.829 4.158
212 HD1 HIS 31 HD1 HIS 31 2.985 1.286 6.640
213 HD2 HIS 31 HD2 HIS 31 2.108 0.478 2.661
214 HE1 HIS 31 HE1 HIS 31 4.776 -0.301 5.867
215 H ARG 32 H ARG 32 1.190 3.234 2.175
216 HA ARG 32 HA ARG 32 3.669 2.669 1.314
217 HB2 ARG 32 1HB ARG 32 1.781 4.631 -0.000
218 HB3 ARG 32 2HB ARG 32 3.146 3.861 -0.797
219 HG2 ARG 32 1HG ARG 32 0.795 2.401 0.390
220 HG3 ARG 32 2HG ARG 32 0.993 2.792 -1.320
221 HD2 ARG 32 1HD ARG 32 2.901 1.112 0.303
222 HD3 ARG 32 2HD ARG 32 1.653 0.472 -0.765
223 HE ARG 32 HE ARG 32 4.178 1.628 -1.536
224 HH11 ARG 32 1HH1 ARG 32 0.947 0.814 -2.544
225 HH12 ARG 32 2HH1 ARG 32 1.348 0.755 -4.229
226 HH21 ARG 32 1HH2 ARG 32 4.718 1.554 -3.751
227 HH22 ARG 32 2HH2 ARG 32 3.493 1.175 -4.914
228 H GLY 33 H GLY 33 2.633 5.731 2.591
229 HA2 GLY 33 1HA GLY 33 4.559 7.466 1.620
230 HA3 GLY 33 2HA GLY 33 3.828 7.591 3.213
231 H ILE 34 H ILE 34 4.778 5.401 4.511
232 HA ILE 34 HA ILE 34 7.165 6.128 5.558
233 HB ILE 34 HB ILE 34 7.480 3.880 6.367
234 HG12 ILE 34 1HG1 ILE 34 5.230 2.812 4.723
235 HG13 ILE 34 2HG1 ILE 34 6.809 2.974 3.963
236 HG21 ILE 34 1HG2 ILE 34 4.622 3.678 6.516
237 HG22 ILE 34 2HG2 ILE 34 5.775 4.156 7.760
238 HG23 ILE 34 3HG2 ILE 34 5.120 5.364 6.654
239 HD11 ILE 34 3HD1 ILE 34 6.461 0.738 4.854
240 HD12 ILE 34 1HD1 ILE 34 7.788 1.556 5.678
241 HD13 ILE 34 2HD1 ILE 34 6.217 1.412 6.466
242 H HIS 35 H HIS 35 6.651 4.616 2.490
243 HA HIS 35 HA HIS 35 9.392 3.797 2.135
244 HB2 HIS 35 1HB HIS 35 7.060 3.949 0.218
245 HB3 HIS 35 2HB HIS 35 8.651 3.334 -0.219
246 HD1 HIS 35 HD1 HIS 35 9.166 0.944 0.373
247 HD2 HIS 35 HD2 HIS 35 5.664 2.316 2.136
248 HE1 HIS 35 HE1 HIS 35 8.086 -1.086 1.391
249 H THR 36 H THR 36 7.309 6.395 0.915
250 HA THR 36 HA THR 36 9.714 7.963 0.332
251 HB THR 36 HB THR 36 9.211 7.128 -1.834
252 HG1 THR 36 HG1 THR 36 9.219 9.615 -1.357
253 HG21 THR 36 3HG2 THR 36 6.610 7.974 -2.439
254 HG22 THR 36 1HG2 THR 36 6.495 7.174 -0.872
255 HG23 THR 36 2HG2 THR 36 7.177 6.314 -2.253
256 H GLY 37 H GLY 37 9.562 9.841 1.358
257 HA2 GLY 37 1HA GLY 37 6.900 11.097 1.590
258 HA3 GLY 37 2HA GLY 37 7.983 11.004 2.972
259 H GLU 38 H GLU 38 10.317 11.459 1.122
260 HA GLU 38 HA GLU 38 10.097 14.375 1.102
261 HB2 GLU 38 1HB GLU 38 12.012 13.129 2.243
262 HB3 GLU 38 2HB GLU 38 12.595 12.757 0.626
263 HG2 GLU 38 1HG GLU 38 13.165 14.936 0.179
264 HG3 GLU 38 2HG GLU 38 12.024 15.588 1.353
265 H LYS 39 H LYS 39 9.151 15.003 -0.762
266 HA LYS 39 HA LYS 39 8.931 15.493 -2.972
267 HB2 LYS 39 1HB LYS 39 11.354 16.001 -2.803
268 HB3 LYS 39 2HB LYS 39 11.711 14.332 -3.229
269 HG2 LYS 39 1HG LYS 39 11.920 15.266 -5.279
270 HG3 LYS 39 2HG LYS 39 10.185 14.940 -5.313
271 HD2 LYS 39 1HD LYS 39 11.055 17.532 -4.167
272 HD3 LYS 39 2HD LYS 39 11.218 17.329 -5.913
273 HE2 LYS 39 1HE LYS 39 8.653 16.522 -4.648
274 HE3 LYS 39 2HE LYS 39 8.990 18.245 -4.798
275 HZ1 LYS 39 3HZ LYS 39 7.947 16.631 -6.736
276 HZ2 LYS 39 1HZ LYS 39 9.560 16.824 -7.208
277 HZ3 LYS 39 2HZ LYS 39 8.582 18.182 -6.967
278 HA PRO 40 HA PRO 40 8.182 10.870 -3.654
279 HB2 PRO 40 1HB PRO 40 5.510 10.894 -3.177
280 HB3 PRO 40 2HB PRO 40 6.709 10.609 -1.910
281 HG2 PRO 40 1HG PRO 40 5.244 13.127 -2.599
282 HG3 PRO 40 2HG PRO 40 5.588 12.433 -1.003
283 HD2 PRO 40 1HD PRO 40 7.038 14.465 -2.053
284 HD3 PRO 40 2HD PRO 40 7.747 13.242 -0.979
285 H SER 41 H SER 41 8.274 10.704 -5.812
286 HA SER 41 HA SER 41 6.905 12.472 -7.583
287 HB2 SER 41 1HB SER 41 7.749 10.923 -9.360
288 HB3 SER 41 2HB SER 41 9.011 11.511 -8.278
289 HG SER 41 HG SER 41 9.150 9.247 -8.650
290 H GLY 42 H GLY 42 5.472 11.634 -9.357
291 HA2 GLY 42 1HA GLY 42 3.695 9.488 -8.392
292 HA3 GLY 42 2HA GLY 42 3.031 11.034 -8.898
293 HA PRO 43 HA PRO 43 4.827 8.951 -12.884
294 HB2 PRO 43 1HB PRO 43 5.569 6.350 -12.651
295 HB3 PRO 43 2HB PRO 43 6.686 7.695 -12.388
296 HG2 PRO 43 1HG PRO 43 5.198 6.047 -10.379
297 HG3 PRO 43 2HG PRO 43 6.883 6.599 -10.346
298 HD2 PRO 43 1HD PRO 43 4.920 7.828 -8.943
299 HD3 PRO 43 2HD PRO 43 6.310 8.707 -9.611
300 H SER 44 H SER 44 2.536 7.907 -10.714
301 HA SER 44 HA SER 44 1.056 6.495 -12.833
302 HB2 SER 44 1HB SER 44 1.098 5.827 -9.880
303 HB3 SER 44 2HB SER 44 0.022 5.086 -11.064
304 HG SER 44 HG SER 44 2.747 5.056 -11.630
305 H SER 45 H SER 45 0.919 9.255 -12.350
306 HA SER 45 HA SER 45 -1.215 9.974 -10.637
307 HB2 SER 45 1HB SER 45 -0.007 11.374 -13.029
308 HB3 SER 45 2HB SER 45 -1.236 12.099 -11.993
309 HG SER 45 HG SER 45 0.195 11.953 -10.262
310 H GLY 46 H GLY 46 -2.913 8.521 -11.055
311 HA2 GLY 46 1HA GLY 46 -4.931 9.386 -12.733
312 HA3 GLY 46 2HA GLY 46 -4.042 8.177 -13.648
Start of MODEL 19
1 H1 GLY 1 H GLY 1 11.166 -25.107 4.391
2 HA2 GLY 1 1HA GLY 1 13.154 -25.821 5.805
3 HA3 GLY 1 2HA GLY 1 14.110 -25.310 4.422
4 H SER 2 H SER 2 11.522 -24.022 6.511
5 HA SER 2 HA SER 2 13.136 -21.692 7.100
6 HB2 SER 2 1HB SER 2 10.502 -21.439 5.630
7 HB3 SER 2 2HB SER 2 11.377 -20.094 6.363
8 HG SER 2 HG SER 2 13.177 -21.123 4.928
9 H SER 3 H SER 3 12.881 -21.250 9.179
10 HA SER 3 HA SER 3 10.793 -22.489 10.707
11 HB2 SER 3 1HB SER 3 13.171 -20.784 11.335
12 HB3 SER 3 2HB SER 3 11.910 -20.970 12.553
13 HG SER 3 HG SER 3 13.591 -22.559 12.699
14 H GLY 4 H GLY 4 11.607 -19.171 9.762
15 HA2 GLY 4 1HA GLY 4 9.812 -17.695 11.193
16 HA3 GLY 4 2HA GLY 4 10.239 -17.331 9.528
17 H SER 5 H SER 5 7.681 -17.049 11.006
18 HA SER 5 HA SER 5 5.979 -18.901 9.491
19 HB2 SER 5 1HB SER 5 5.805 -18.428 12.084
20 HB3 SER 5 2HB SER 5 4.883 -17.024 11.548
21 HG SER 5 HG SER 5 4.203 -19.414 10.342
22 H SER 6 H SER 6 3.753 -17.780 8.955
23 HA SER 6 HA SER 6 4.086 -15.055 7.993
24 HB2 SER 6 1HB SER 6 4.959 -16.542 6.176
25 HB3 SER 6 2HB SER 6 3.362 -17.285 6.078
26 HG SER 6 HG SER 6 4.207 -15.066 4.904
27 H GLY 7 H GLY 7 2.160 -13.963 7.698
28 HA2 GLY 7 1HA GLY 7 -0.321 -15.493 8.111
29 HA3 GLY 7 2HA GLY 7 0.030 -14.114 9.142
30 H THR 8 H THR 8 -1.816 -14.994 6.663
31 HA THR 8 HA THR 8 -1.824 -12.280 5.521
32 HB THR 8 HB THR 8 -2.564 -13.324 3.345
33 HG1 THR 8 HG1 THR 8 -2.286 -15.498 3.071
34 HG21 THR 8 3HG2 THR 8 0.185 -13.687 4.482
35 HG22 THR 8 1HG2 THR 8 -0.385 -12.510 3.299
36 HG23 THR 8 2HG2 THR 8 -0.176 -14.199 2.833
37 H GLY 9 H GLY 9 -3.947 -11.887 4.289
38 HA2 GLY 9 1HA GLY 9 -6.204 -13.278 5.555
39 HA3 GLY 9 2HA GLY 9 -6.089 -11.532 5.718
40 H GLU 10 H GLU 10 -5.257 -13.440 2.866
41 HA GLU 10 HA GLU 10 -5.863 -13.034 0.676
42 HB2 GLU 10 1HB GLU 10 -8.301 -13.857 2.197
43 HB3 GLU 10 2HB GLU 10 -8.466 -13.429 0.500
44 HG2 GLU 10 1HG GLU 10 -6.983 -15.160 -0.166
45 HG3 GLU 10 2HG GLU 10 -6.514 -15.482 1.502
46 H LYS 11 H LYS 11 -5.403 -10.602 1.741
47 HA LYS 11 HA LYS 11 -7.717 -8.901 1.263
48 HB2 LYS 11 1HB LYS 11 -5.843 -8.652 3.108
49 HB3 LYS 11 2HB LYS 11 -4.987 -7.817 1.819
50 HG2 LYS 11 1HG LYS 11 -6.108 -6.165 3.080
51 HG3 LYS 11 2HG LYS 11 -7.006 -6.344 1.571
52 HD2 LYS 11 1HD LYS 11 -8.635 -6.247 3.275
53 HD3 LYS 11 2HD LYS 11 -8.516 -7.951 2.829
54 HE2 LYS 11 1HE LYS 11 -7.142 -8.407 4.753
55 HE3 LYS 11 2HE LYS 11 -7.071 -6.692 5.157
56 HZ1 LYS 11 3HZ LYS 11 -8.734 -7.329 6.535
57 HZ2 LYS 11 1HZ LYS 11 -9.241 -8.605 5.547
58 HZ3 LYS 11 2HZ LYS 11 -9.677 -7.016 5.165
59 HA PRO 12 HA PRO 12 -6.623 -8.196 -2.966
60 HB2 PRO 12 1HB PRO 12 -8.270 -6.082 -3.397
61 HB3 PRO 12 2HB PRO 12 -8.852 -7.748 -3.298
62 HG2 PRO 12 1HG PRO 12 -8.868 -5.608 -1.204
63 HG3 PRO 12 2HG PRO 12 -10.140 -6.769 -1.628
64 HD2 PRO 12 1HD PRO 12 -8.509 -7.109 0.507
65 HD3 PRO 12 2HD PRO 12 -9.160 -8.473 -0.424
66 H TYR 13 H TYR 13 -5.958 -6.152 -0.361
67 HA TYR 13 HA TYR 13 -4.390 -4.353 -2.092
68 HB2 TYR 13 1HB TYR 13 -5.589 -3.724 0.613
69 HB3 TYR 13 2HB TYR 13 -4.637 -2.621 -0.374
70 HD1 TYR 13 HD1 TYR 13 -5.582 -1.629 -2.397
71 HD2 TYR 13 HD2 TYR 13 -7.894 -4.212 0.070
72 HE1 TYR 13 HE1 TYR 13 -7.630 -0.856 -3.518
73 HE2 TYR 13 HE2 TYR 13 -9.949 -3.447 -1.045
74 HH TYR 13 HH TYR 13 -9.915 -0.801 -3.344
75 H LYS 14 H LYS 14 -2.322 -4.912 -1.999
76 HA LYS 14 HA LYS 14 -1.107 -5.356 0.632
77 HB2 LYS 14 1HB LYS 14 -1.390 -7.582 -0.156
78 HB3 LYS 14 2HB LYS 14 -0.859 -7.152 -1.776
79 HG2 LYS 14 1HG LYS 14 1.367 -7.108 -1.182
80 HG3 LYS 14 2HG LYS 14 1.013 -6.834 0.525
81 HD2 LYS 14 1HD LYS 14 0.086 -9.376 -0.708
82 HD3 LYS 14 2HD LYS 14 1.810 -9.194 -0.374
83 HE2 LYS 14 1HE LYS 14 1.478 -9.027 1.914
84 HE3 LYS 14 2HE LYS 14 -0.205 -8.536 1.735
85 HZ1 LYS 14 3HZ LYS 14 0.230 -10.880 2.541
86 HZ2 LYS 14 1HZ LYS 14 0.724 -11.235 0.963
87 HZ3 LYS 14 2HZ LYS 14 -0.858 -10.714 1.256
88 H CYS 15 H CYS 15 0.544 -4.019 0.906
89 HA CYS 15 HA CYS 15 1.514 -2.297 -1.073
90 HB2 CYS 15 1HB CYS 15 1.655 -1.984 1.435
91 HB3 CYS 15 2HB CYS 15 3.015 -3.102 1.422
92 H ASN 16 H ASN 16 2.665 -2.808 -2.806
93 HA ASN 16 HA ASN 16 4.232 -5.225 -2.917
94 HB2 ASN 16 1HB ASN 16 3.606 -3.043 -4.897
95 HB3 ASN 16 2HB ASN 16 4.782 -4.304 -5.258
96 HD21 ASN 16 1HD2 ASN 16 3.412 -4.934 -6.988
97 HD22 ASN 16 2HD2 ASN 16 2.012 -5.903 -6.693
98 H GLU 17 H GLU 17 5.208 -3.504 -0.955
99 HA GLU 17 HA GLU 17 7.852 -2.870 -2.069
100 HB2 GLU 17 1HB GLU 17 6.845 -0.730 -1.838
101 HB3 GLU 17 2HB GLU 17 6.166 -1.138 -0.269
102 HG2 GLU 17 1HG GLU 17 7.917 0.167 0.369
103 HG3 GLU 17 2HG GLU 17 8.683 -1.421 0.400
104 H CYS 18 H CYS 18 6.057 -3.151 1.000
105 HA CYS 18 HA CYS 18 8.422 -4.451 2.173
106 HB2 CYS 18 1HB CYS 18 7.301 -3.913 4.371
107 HB3 CYS 18 2HB CYS 18 7.825 -2.516 3.436
108 H GLY 19 H GLY 19 4.862 -4.637 2.162
109 HA2 GLY 19 1HA GLY 19 3.978 -6.895 1.556
110 HA3 GLY 19 2HA GLY 19 5.130 -7.527 2.723
111 H LYS 20 H LYS 20 2.531 -5.088 2.588
112 HA LYS 20 HA LYS 20 1.338 -6.305 4.962
113 HB2 LYS 20 1HB LYS 20 2.293 -3.462 4.750
114 HB3 LYS 20 2HB LYS 20 0.970 -3.893 5.825
115 HG2 LYS 20 1HG LYS 20 2.320 -5.046 7.258
116 HG3 LYS 20 2HG LYS 20 3.489 -5.457 6.001
117 HD2 LYS 20 1HD LYS 20 4.244 -3.116 5.964
118 HD3 LYS 20 2HD LYS 20 3.100 -2.738 7.254
119 HE2 LYS 20 1HE LYS 20 5.165 -4.891 7.576
120 HE3 LYS 20 2HE LYS 20 5.550 -3.199 7.887
121 HZ1 LYS 20 3HZ LYS 20 4.887 -3.864 9.948
122 HZ2 LYS 20 1HZ LYS 20 3.780 -5.004 9.366
123 HZ3 LYS 20 2HZ LYS 20 3.393 -3.358 9.336
124 H VAL 21 H VAL 21 -0.824 -6.387 4.856
125 HA VAL 21 HA VAL 21 -2.127 -4.979 2.630
126 HB VAL 21 HB VAL 21 -4.017 -6.622 3.095
127 HG11 VAL 21 1HG1 VAL 21 -1.485 -6.998 1.754
128 HG12 VAL 21 2HG1 VAL 21 -2.185 -8.539 2.255
129 HG13 VAL 21 3HG1 VAL 21 -3.111 -7.439 1.233
130 HG21 VAL 21 3HG2 VAL 21 -2.777 -7.171 5.384
131 HG22 VAL 21 1HG2 VAL 21 -3.780 -8.357 4.548
132 HG23 VAL 21 2HG2 VAL 21 -2.026 -8.409 4.377
133 H PHE 22 H PHE 22 -4.169 -3.973 2.943
134 HA PHE 22 HA PHE 22 -4.832 -3.337 5.736
135 HB2 PHE 22 1HB PHE 22 -4.774 -1.342 3.462
136 HB3 PHE 22 2HB PHE 22 -5.221 -1.004 5.131
137 HD1 PHE 22 HD2 PHE 22 -2.425 -1.957 2.920
138 HD2 PHE 22 HD1 PHE 22 -3.586 -0.564 6.771
139 HE1 PHE 22 HE2 PHE 22 -0.075 -1.442 3.438
140 HE2 PHE 22 HE1 PHE 22 -1.238 -0.046 7.295
141 HZ PHE 22 HZ PHE 22 0.521 -0.487 5.629
142 H THR 23 H THR 23 -6.933 -3.489 6.225
143 HA THR 23 HA THR 23 -8.779 -4.668 4.508
144 HB THR 23 HB THR 23 -9.099 -4.788 6.897
145 HG1 THR 23 HG1 THR 23 -11.187 -3.267 5.684
146 HG21 THR 23 3HG2 THR 23 -10.125 -2.518 7.875
147 HG22 THR 23 1HG2 THR 23 -9.018 -1.832 6.687
148 HG23 THR 23 2HG2 THR 23 -8.404 -2.895 7.953
149 H GLN 24 H GLN 24 -7.858 -1.365 4.842
150 HA GLN 24 HA GLN 24 -10.037 -0.585 3.019
151 HB2 GLN 24 1HB GLN 24 -8.922 0.768 5.424
152 HB3 GLN 24 2HB GLN 24 -9.410 1.783 4.072
153 HG2 GLN 24 1HG GLN 24 -11.641 1.133 4.230
154 HG3 GLN 24 2HG GLN 24 -11.253 -0.287 5.200
155 HE21 GLN 24 1HE2 GLN 24 -12.870 2.375 5.459
156 HE22 GLN 24 2HE2 GLN 24 -12.508 2.870 7.074
157 H ASN 25 H ASN 25 -9.535 0.996 1.421
158 HA ASN 25 HA ASN 25 -6.983 0.637 0.235
159 HB2 ASN 25 1HB ASN 25 -8.692 1.009 -1.311
160 HB3 ASN 25 2HB ASN 25 -9.371 2.346 -0.386
161 HD21 ASN 25 1HD2 ASN 25 -9.374 3.569 -2.322
162 HD22 ASN 25 2HD2 ASN 25 -7.922 4.301 -2.906
163 H SER 26 H SER 26 -8.546 3.534 1.608
164 HA SER 26 HA SER 26 -6.467 5.319 1.360
165 HB2 SER 26 1HB SER 26 -7.451 6.490 3.337
166 HB3 SER 26 2HB SER 26 -8.650 6.037 2.126
167 HG SER 26 HG SER 26 -8.763 5.478 4.637
168 H HIS 27 H HIS 27 -6.782 2.652 3.553
169 HA HIS 27 HA HIS 27 -4.830 3.483 5.446
170 HB2 HIS 27 1HB HIS 27 -6.036 0.806 4.766
171 HB3 HIS 27 2HB HIS 27 -4.796 0.984 6.004
172 HD1 HIS 27 HD1 HIS 27 -6.565 0.173 7.763
173 HD2 HIS 27 HD2 HIS 27 -7.474 3.772 5.897
174 HE1 HIS 27 HE1 HIS 27 -8.389 1.208 9.151
175 H LEU 28 H LEU 28 -4.709 1.723 2.418
176 HA LEU 28 HA LEU 28 -1.932 0.993 2.748
177 HB2 LEU 28 1HB LEU 28 -3.154 -0.582 1.541
178 HB3 LEU 28 2HB LEU 28 -3.966 0.650 0.578
179 HG LEU 28 HG LEU 28 -1.698 1.091 -0.490
180 HD11 LEU 28 1HD1 LEU 28 -0.635 -1.494 -0.188
181 HD12 LEU 28 2HD1 LEU 28 -0.948 -0.884 1.437
182 HD13 LEU 28 3HD1 LEU 28 0.069 0.038 0.330
183 HD21 LEU 28 3HD2 LEU 28 -3.545 -0.105 -1.592
184 HD22 LEU 28 1HD2 LEU 28 -2.953 -1.620 -0.909
185 HD23 LEU 28 2HD2 LEU 28 -1.964 -0.729 -2.067
186 H VAL 29 H VAL 29 -3.724 3.016 0.417
187 HA VAL 29 HA VAL 29 -1.699 4.128 -1.003
188 HB VAL 29 HB VAL 29 -4.147 4.629 -1.270
189 HG11 VAL 29 1HG1 VAL 29 -4.453 5.272 1.145
190 HG12 VAL 29 2HG1 VAL 29 -3.657 6.799 0.759
191 HG13 VAL 29 3HG1 VAL 29 -5.176 6.371 -0.029
192 HG21 VAL 29 3HG2 VAL 29 -1.895 6.183 -1.898
193 HG22 VAL 29 1HG2 VAL 29 -3.463 6.180 -2.706
194 HG23 VAL 29 2HG2 VAL 29 -3.148 7.316 -1.394
195 H ARG 30 H ARG 30 -2.848 5.267 2.162
196 HA ARG 30 HA ARG 30 -0.952 7.375 2.361
197 HB2 ARG 30 1HB ARG 30 -2.999 7.476 3.639
198 HB3 ARG 30 2HB ARG 30 -2.610 5.970 4.459
199 HG2 ARG 30 1HG ARG 30 -0.702 8.234 4.699
200 HG3 ARG 30 2HG ARG 30 -2.218 8.306 5.601
201 HD2 ARG 30 1HD ARG 30 -0.625 5.797 5.711
202 HD3 ARG 30 2HD ARG 30 -0.044 7.194 6.617
203 HE ARG 30 HE ARG 30 -2.752 6.857 7.199
204 HH11 ARG 30 1HH1 ARG 30 0.270 5.193 7.670
205 HH12 ARG 30 2HH1 ARG 30 -0.233 4.424 9.139
206 HH21 ARG 30 1HH2 ARG 30 -3.425 5.851 9.132
207 HH22 ARG 30 2HH2 ARG 30 -2.335 4.798 9.969
208 H HIS 31 H HIS 31 -1.050 4.048 3.552
209 HA HIS 31 HA HIS 31 1.136 4.026 5.227
210 HB2 HIS 31 1HB HIS 31 0.002 2.015 5.218
211 HB3 HIS 31 2HB HIS 31 -0.128 1.974 3.462
212 HD1 HIS 31 HD1 HIS 31 2.253 1.188 6.258
213 HD2 HIS 31 HD2 HIS 31 1.946 0.687 2.145
214 HE1 HIS 31 HE1 HIS 31 4.106 -0.394 5.634
215 H ARG 32 H ARG 32 1.147 3.348 1.726
216 HA ARG 32 HA ARG 32 3.699 2.807 1.167
217 HB2 ARG 32 1HB ARG 32 1.754 4.596 -0.235
218 HB3 ARG 32 2HB ARG 32 3.398 4.471 -0.848
219 HG2 ARG 32 1HG ARG 32 3.164 2.206 -1.357
220 HG3 ARG 32 2HG ARG 32 1.738 2.032 -0.331
221 HD2 ARG 32 1HD ARG 32 0.718 2.121 -2.366
222 HD3 ARG 32 2HD ARG 32 0.770 3.844 -1.999
223 HE ARG 32 HE ARG 32 2.339 4.134 -3.665
224 HH11 ARG 32 1HH1 ARG 32 1.803 0.741 -3.098
225 HH12 ARG 32 2HH1 ARG 32 2.662 0.235 -4.515
226 HH21 ARG 32 1HH2 ARG 32 3.473 3.481 -5.533
227 HH22 ARG 32 2HH2 ARG 32 3.612 1.794 -5.899
228 H GLY 33 H GLY 33 2.527 5.895 2.316
229 HA2 GLY 33 1HA GLY 33 4.583 7.613 1.727
230 HA3 GLY 33 2HA GLY 33 3.671 7.671 3.228
231 H ILE 34 H ILE 34 4.452 5.362 4.477
232 HA ILE 34 HA ILE 34 6.673 5.994 5.877
233 HB ILE 34 HB ILE 34 6.945 3.655 6.475
234 HG12 ILE 34 1HG1 ILE 34 4.839 2.818 4.526
235 HG13 ILE 34 2HG1 ILE 34 6.494 2.994 3.953
236 HG21 ILE 34 1HG2 ILE 34 5.133 4.769 7.548
237 HG22 ILE 34 2HG2 ILE 34 4.089 4.547 6.145
238 HG23 ILE 34 3HG2 ILE 34 4.574 3.154 7.112
239 HD11 ILE 34 3HD1 ILE 34 7.274 1.321 5.425
240 HD12 ILE 34 1HD1 ILE 34 5.756 1.302 6.320
241 HD13 ILE 34 2HD1 ILE 34 5.813 0.688 4.668
242 H HIS 35 H HIS 35 6.586 4.700 2.657
243 HA HIS 35 HA HIS 35 9.450 4.162 2.644
244 HB2 HIS 35 1HB HIS 35 7.475 3.913 0.368
245 HB3 HIS 35 2HB HIS 35 9.103 3.243 0.434
246 HD1 HIS 35 HD1 HIS 35 9.401 1.444 2.535
247 HD2 HIS 35 HD2 HIS 35 5.575 2.126 1.067
248 HE1 HIS 35 HE1 HIS 35 8.030 -0.524 3.291
249 H THR 36 H THR 36 9.451 6.660 3.163
250 HA THR 36 HA THR 36 10.102 7.982 0.629
251 HB THR 36 HB THR 36 9.138 10.133 1.634
252 HG1 THR 36 HG1 THR 36 8.203 8.193 3.420
253 HG21 THR 36 3HG2 THR 36 8.060 8.227 -0.043
254 HG22 THR 36 1HG2 THR 36 7.424 9.850 0.219
255 HG23 THR 36 2HG2 THR 36 6.781 8.492 1.141
256 H GLY 37 H GLY 37 12.242 8.243 0.838
257 HA2 GLY 37 1HA GLY 37 13.652 8.482 3.247
258 HA3 GLY 37 2HA GLY 37 14.263 8.946 1.666
259 H GLU 38 H GLU 38 13.476 10.051 4.701
260 HA GLU 38 HA GLU 38 12.816 12.759 3.840
261 HB2 GLU 38 1HB GLU 38 11.795 11.420 5.866
262 HB3 GLU 38 2HB GLU 38 13.223 12.009 6.704
263 HG2 GLU 38 1HG GLU 38 11.701 13.641 7.204
264 HG3 GLU 38 2HG GLU 38 12.480 14.322 5.777
265 H LYS 39 H LYS 39 15.354 11.923 3.072
266 HA LYS 39 HA LYS 39 17.530 12.587 3.066
267 HB2 LYS 39 1HB LYS 39 16.268 14.850 4.603
268 HB3 LYS 39 2HB LYS 39 17.986 14.825 4.228
269 HG2 LYS 39 1HG LYS 39 15.924 14.521 2.077
270 HG3 LYS 39 2HG LYS 39 16.419 16.111 2.666
271 HD2 LYS 39 1HD LYS 39 18.530 14.158 1.891
272 HD3 LYS 39 2HD LYS 39 17.623 14.969 0.613
273 HE2 LYS 39 1HE LYS 39 18.909 16.482 2.867
274 HE3 LYS 39 2HE LYS 39 19.791 16.066 1.399
275 HZ1 LYS 39 3HZ LYS 39 17.415 17.169 0.552
276 HZ2 LYS 39 1HZ LYS 39 18.943 17.892 0.508
277 HZ3 LYS 39 2HZ LYS 39 17.921 18.156 1.829
278 HA PRO 40 HA PRO 40 17.921 10.898 7.466
279 HB2 PRO 40 1HB PRO 40 18.589 8.357 6.781
280 HB3 PRO 40 2HB PRO 40 16.918 8.878 7.027
281 HG2 PRO 40 1HG PRO 40 18.437 8.530 4.471
282 HG3 PRO 40 2HG PRO 40 16.771 8.058 4.856
283 HD2 PRO 40 1HD PRO 40 17.363 10.295 3.451
284 HD3 PRO 40 2HD PRO 40 15.958 10.190 4.531
285 H SER 41 H SER 41 19.810 11.811 8.048
286 HA SER 41 HA SER 41 22.201 11.507 6.467
287 HB2 SER 41 1HB SER 41 21.867 12.750 9.207
288 HB3 SER 41 2HB SER 41 23.251 12.944 8.131
289 HG SER 41 HG SER 41 21.905 14.021 6.672
290 H GLY 42 H GLY 42 22.490 9.227 6.531
291 HA2 GLY 42 1HA GLY 42 24.090 8.374 8.777
292 HA3 GLY 42 2HA GLY 42 22.567 7.509 8.628
293 HA PRO 43 HA PRO 43 26.003 5.737 5.850
294 HB2 PRO 43 1HB PRO 43 26.580 3.520 7.306
295 HB3 PRO 43 2HB PRO 43 27.430 5.055 7.517
296 HG2 PRO 43 1HG PRO 43 25.196 3.890 9.133
297 HG3 PRO 43 2HG PRO 43 26.665 4.715 9.686
298 HD2 PRO 43 1HD PRO 43 24.261 5.954 9.554
299 HD3 PRO 43 2HD PRO 43 25.793 6.810 9.282
300 H SER 44 H SER 44 22.959 5.115 6.939
301 HA SER 44 HA SER 44 21.326 3.572 6.475
302 HB2 SER 44 1HB SER 44 22.759 4.038 3.875
303 HB3 SER 44 2HB SER 44 21.387 2.932 3.952
304 HG SER 44 HG SER 44 20.761 5.080 3.427
305 H SER 45 H SER 45 23.455 2.354 7.772
306 HA SER 45 HA SER 45 24.675 0.179 6.641
307 HB2 SER 45 1HB SER 45 23.535 0.556 9.408
308 HB3 SER 45 2HB SER 45 24.433 -0.892 8.957
309 HG SER 45 HG SER 45 26.215 0.205 9.100
310 H GLY 46 H GLY 46 21.437 0.224 8.132
311 HA2 GLY 46 1HA GLY 46 19.578 -0.917 7.151
312 HA3 GLY 46 2HA GLY 46 20.706 -2.029 6.390
Start of MODEL 20
1 H1 GLY 1 H GLY 1 18.184 -16.293 17.131
2 HA2 GLY 1 1HA GLY 1 17.988 -14.584 14.986
3 HA3 GLY 1 2HA GLY 1 17.600 -16.168 14.333
4 H SER 2 H SER 2 15.712 -14.247 14.190
5 HA SER 2 HA SER 2 13.798 -15.003 16.301
6 HB2 SER 2 1HB SER 2 14.517 -12.566 16.249
7 HB3 SER 2 2HB SER 2 13.693 -12.446 14.695
8 HG SER 2 HG SER 2 12.653 -12.612 17.243
9 H SER 3 H SER 3 11.828 -15.753 15.701
10 HA SER 3 HA SER 3 11.111 -15.686 12.857
11 HB2 SER 3 1HB SER 3 12.182 -17.852 13.221
12 HB3 SER 3 2HB SER 3 11.115 -18.172 14.588
13 HG SER 3 HG SER 3 10.480 -19.139 12.535
14 H GLY 4 H GLY 4 8.886 -15.820 12.420
15 HA2 GLY 4 1HA GLY 4 6.684 -16.423 13.612
16 HA3 GLY 4 2HA GLY 4 7.206 -15.195 14.755
17 H SER 5 H SER 5 5.667 -15.819 11.770
18 HA SER 5 HA SER 5 5.131 -12.955 11.464
19 HB2 SER 5 1HB SER 5 5.594 -12.933 9.138
20 HB3 SER 5 2HB SER 5 6.972 -13.747 9.877
21 HG SER 5 HG SER 5 6.509 -15.230 8.450
22 H SER 6 H SER 6 3.189 -12.477 10.286
23 HA SER 6 HA SER 6 1.172 -14.545 10.658
24 HB2 SER 6 1HB SER 6 -0.447 -12.804 10.511
25 HB3 SER 6 2HB SER 6 0.886 -12.147 11.459
26 HG SER 6 HG SER 6 -0.046 -11.412 8.975
27 H GLY 7 H GLY 7 0.266 -15.674 9.057
28 HA2 GLY 7 1HA GLY 7 0.727 -14.745 6.289
29 HA3 GLY 7 2HA GLY 7 0.861 -16.435 6.751
30 H THR 8 H THR 8 -1.359 -16.753 8.347
31 HA THR 8 HA THR 8 -3.363 -17.411 6.620
32 HB THR 8 HB THR 8 -3.850 -16.437 9.440
33 HG1 THR 8 HG1 THR 8 -3.665 -18.882 9.725
34 HG21 THR 8 3HG2 THR 8 -5.362 -18.319 7.630
35 HG22 THR 8 1HG2 THR 8 -5.912 -16.761 8.246
36 HG23 THR 8 2HG2 THR 8 -5.693 -18.119 9.350
37 H GLY 9 H GLY 9 -5.087 -16.440 5.663
38 HA2 GLY 9 1HA GLY 9 -6.732 -14.701 5.503
39 HA3 GLY 9 2HA GLY 9 -5.602 -13.611 6.293
40 H GLU 10 H GLU 10 -7.119 -13.647 3.629
41 HA GLU 10 HA GLU 10 -4.785 -13.004 1.948
42 HB2 GLU 10 1HB GLU 10 -5.948 -13.773 0.008
43 HB3 GLU 10 2HB GLU 10 -6.049 -15.044 1.218
44 HG2 GLU 10 1HG GLU 10 -8.319 -14.327 1.778
45 HG3 GLU 10 2HG GLU 10 -8.217 -13.065 0.551
46 H LYS 11 H LYS 11 -4.718 -11.020 1.084
47 HA LYS 11 HA LYS 11 -7.173 -9.405 1.064
48 HB2 LYS 11 1HB LYS 11 -5.477 -8.983 3.024
49 HB3 LYS 11 2HB LYS 11 -4.558 -8.135 1.786
50 HG2 LYS 11 1HG LYS 11 -5.852 -6.502 2.875
51 HG3 LYS 11 2HG LYS 11 -6.647 -6.795 1.326
52 HD2 LYS 11 1HD LYS 11 -8.375 -6.719 2.934
53 HD3 LYS 11 2HD LYS 11 -8.142 -8.429 2.561
54 HE2 LYS 11 1HE LYS 11 -8.361 -8.213 4.931
55 HE3 LYS 11 2HE LYS 11 -6.677 -8.590 4.574
56 HZ1 LYS 11 3HZ LYS 11 -6.433 -6.882 6.044
57 HZ2 LYS 11 1HZ LYS 11 -7.852 -6.095 5.566
58 HZ3 LYS 11 2HZ LYS 11 -6.467 -6.000 4.601
59 HA PRO 12 HA PRO 12 -5.872 -8.669 -3.103
60 HB2 PRO 12 1HB PRO 12 -7.671 -6.718 -3.678
61 HB3 PRO 12 2HB PRO 12 -8.106 -8.429 -3.585
62 HG2 PRO 12 1HG PRO 12 -8.450 -6.273 -1.537
63 HG3 PRO 12 2HG PRO 12 -9.583 -7.549 -2.020
64 HD2 PRO 12 1HD PRO 12 -8.071 -7.714 0.221
65 HD3 PRO 12 2HD PRO 12 -8.535 -9.143 -0.725
66 H TYR 13 H TYR 13 -6.001 -6.235 -0.616
67 HA TYR 13 HA TYR 13 -4.356 -4.423 -2.240
68 HB2 TYR 13 1HB TYR 13 -6.083 -4.013 0.185
69 HB3 TYR 13 2HB TYR 13 -4.838 -2.844 -0.239
70 HD1 TYR 13 HD2 TYR 13 -7.258 -4.786 -2.322
71 HD2 TYR 13 HD1 TYR 13 -5.860 -0.958 -1.098
72 HE1 TYR 13 HE2 TYR 13 -8.806 -3.720 -3.908
73 HE2 TYR 13 HE1 TYR 13 -7.405 0.118 -2.680
74 HH TYR 13 HH TYR 13 -8.568 -0.768 -5.009
75 H LYS 14 H LYS 14 -2.362 -5.425 -2.043
76 HA LYS 14 HA LYS 14 -1.193 -5.352 0.661
77 HB2 LYS 14 1HB LYS 14 -1.541 -7.675 -0.182
78 HB3 LYS 14 2HB LYS 14 -0.477 -7.305 -1.533
79 HG2 LYS 14 1HG LYS 14 1.402 -7.088 -0.122
80 HG3 LYS 14 2HG LYS 14 0.398 -7.060 1.330
81 HD2 LYS 14 1HD LYS 14 -0.355 -9.420 0.517
82 HD3 LYS 14 2HD LYS 14 1.137 -9.366 -0.426
83 HE2 LYS 14 1HE LYS 14 2.472 -9.203 1.505
84 HE3 LYS 14 2HE LYS 14 1.093 -8.791 2.523
85 HZ1 LYS 14 3HZ LYS 14 2.134 -11.346 1.886
86 HZ2 LYS 14 1HZ LYS 14 0.515 -11.249 1.405
87 HZ3 LYS 14 2HZ LYS 14 0.940 -10.933 3.011
88 H CYS 15 H CYS 15 0.569 -4.129 0.882
89 HA CYS 15 HA CYS 15 1.520 -2.539 -1.261
90 HB2 CYS 15 1HB CYS 15 1.556 -1.782 1.082
91 HB3 CYS 15 2HB CYS 15 2.751 -3.018 1.461
92 H ASN 16 H ASN 16 2.973 -2.998 -2.769
93 HA ASN 16 HA ASN 16 4.370 -5.493 -2.768
94 HB2 ASN 16 1HB ASN 16 3.483 -4.333 -4.820
95 HB3 ASN 16 2HB ASN 16 4.782 -3.157 -4.642
96 HD21 ASN 16 1HD2 ASN 16 3.898 -5.804 -6.280
97 HD22 ASN 16 2HD2 ASN 16 5.447 -6.474 -6.649
98 H GLU 17 H GLU 17 5.080 -2.314 -1.685
99 HA GLU 17 HA GLU 17 7.884 -2.308 -1.926
100 HB2 GLU 17 1HB GLU 17 6.300 -0.968 0.266
101 HB3 GLU 17 2HB GLU 17 7.871 -0.492 -0.363
102 HG2 GLU 17 1HG GLU 17 5.319 -0.452 -1.955
103 HG3 GLU 17 2HG GLU 17 6.006 0.943 -1.124
104 H CYS 18 H CYS 18 5.819 -3.147 0.854
105 HA CYS 18 HA CYS 18 8.082 -4.691 1.943
106 HB2 CYS 18 1HB CYS 18 7.003 -4.297 4.190
107 HB3 CYS 18 2HB CYS 18 7.680 -2.863 3.425
108 H GLY 19 H GLY 19 4.522 -4.490 1.927
109 HA2 GLY 19 1HA GLY 19 3.448 -6.587 1.039
110 HA3 GLY 19 2HA GLY 19 4.467 -7.432 2.194
111 H LYS 20 H LYS 20 2.796 -4.386 2.773
112 HA LYS 20 HA LYS 20 1.398 -5.647 5.009
113 HB2 LYS 20 1HB LYS 20 2.760 -3.442 5.139
114 HB3 LYS 20 2HB LYS 20 1.351 -2.708 4.382
115 HG2 LYS 20 1HG LYS 20 0.790 -2.366 6.545
116 HG3 LYS 20 2HG LYS 20 0.114 -3.987 6.358
117 HD2 LYS 20 1HD LYS 20 2.527 -4.725 7.097
118 HD3 LYS 20 2HD LYS 20 2.576 -3.103 7.791
119 HE2 LYS 20 1HE LYS 20 0.381 -5.099 8.321
120 HE3 LYS 20 2HE LYS 20 1.793 -4.892 9.356
121 HZ1 LYS 20 3HZ LYS 20 -0.232 -2.810 8.734
122 HZ2 LYS 20 1HZ LYS 20 1.142 -2.578 9.693
123 HZ3 LYS 20 2HZ LYS 20 -0.073 -3.638 10.201
124 H VAL 21 H VAL 21 -0.691 -6.143 4.925
125 HA VAL 21 HA VAL 21 -2.263 -5.203 2.637
126 HB VAL 21 HB VAL 21 -3.862 -6.995 3.264
127 HG11 VAL 21 1HG1 VAL 21 -2.678 -8.662 2.204
128 HG12 VAL 21 2HG1 VAL 21 -1.740 -7.236 1.756
129 HG13 VAL 21 3HG1 VAL 21 -1.180 -8.289 3.056
130 HG21 VAL 21 3HG2 VAL 21 -2.186 -8.574 4.925
131 HG22 VAL 21 1HG2 VAL 21 -2.355 -6.984 5.669
132 HG23 VAL 21 2HG2 VAL 21 -3.790 -7.931 5.277
133 H PHE 22 H PHE 22 -4.326 -4.309 2.884
134 HA PHE 22 HA PHE 22 -5.169 -3.585 5.590
135 HB2 PHE 22 1HB PHE 22 -5.038 -1.529 3.384
136 HB3 PHE 22 2HB PHE 22 -5.400 -1.261 5.086
137 HD1 PHE 22 HD2 PHE 22 -2.703 -2.356 2.784
138 HD2 PHE 22 HD1 PHE 22 -3.706 -0.719 6.583
139 HE1 PHE 22 HE2 PHE 22 -0.323 -1.901 3.213
140 HE2 PHE 22 HE1 PHE 22 -1.328 -0.261 7.018
141 HZ PHE 22 HZ PHE 22 0.367 -0.853 5.332
142 H THR 23 H THR 23 -7.390 -2.954 5.747
143 HA THR 23 HA THR 23 -9.060 -4.364 3.867
144 HB THR 23 HB THR 23 -9.595 -4.533 6.226
145 HG1 THR 23 HG1 THR 23 -11.655 -2.910 5.178
146 HG21 THR 23 3HG2 THR 23 -8.867 -1.902 6.399
147 HG22 THR 23 1HG2 THR 23 -9.709 -2.804 7.659
148 HG23 THR 23 2HG2 THR 23 -10.623 -1.806 6.527
149 H GLN 24 H GLN 24 -8.424 -1.015 4.753
150 HA GLN 24 HA GLN 24 -10.217 -0.149 2.583
151 HB2 GLN 24 1HB GLN 24 -9.332 1.254 5.101
152 HB3 GLN 24 2HB GLN 24 -10.114 2.096 3.771
153 HG2 GLN 24 1HG GLN 24 -12.139 1.049 4.119
154 HG3 GLN 24 2HG GLN 24 -11.407 -0.307 4.975
155 HE21 GLN 24 1HE2 GLN 24 -11.746 -0.328 7.068
156 HE22 GLN 24 2HE2 GLN 24 -12.028 1.048 8.073
157 H ASN 25 H ASN 25 -9.404 0.953 0.899
158 HA ASN 25 HA ASN 25 -6.700 0.936 0.294
159 HB2 ASN 25 1HB ASN 25 -7.230 2.285 -1.601
160 HB3 ASN 25 2HB ASN 25 -8.631 1.259 -1.310
161 HD21 ASN 25 1HD2 ASN 25 -7.382 4.474 -1.302
162 HD22 ASN 25 2HD2 ASN 25 -8.885 5.285 -1.039
163 H SER 26 H SER 26 -8.670 3.616 1.543
164 HA SER 26 HA SER 26 -6.928 5.690 1.542
165 HB2 SER 26 1HB SER 26 -9.209 5.845 2.445
166 HB3 SER 26 2HB SER 26 -8.717 4.916 3.860
167 HG SER 26 HG SER 26 -7.028 6.755 3.939
168 H HIS 27 H HIS 27 -7.009 3.077 3.940
169 HA HIS 27 HA HIS 27 -4.954 4.032 5.590
170 HB2 HIS 27 1HB HIS 27 -6.055 1.284 5.061
171 HB3 HIS 27 2HB HIS 27 -4.697 1.522 6.156
172 HD1 HIS 27 HD1 HIS 27 -5.574 1.367 8.457
173 HD2 HIS 27 HD2 HIS 27 -8.141 3.486 5.971
174 HE1 HIS 27 HE1 HIS 27 -7.444 2.160 9.940
175 H LEU 28 H LEU 28 -4.781 1.539 3.042
176 HA LEU 28 HA LEU 28 -2.042 1.131 3.086
177 HB2 LEU 28 1HB LEU 28 -3.451 -0.336 1.847
178 HB3 LEU 28 2HB LEU 28 -4.013 0.980 0.817
179 HG LEU 28 HG LEU 28 -1.655 1.140 -0.066
180 HD11 LEU 28 1HD1 LEU 28 -1.403 -1.313 1.634
181 HD12 LEU 28 2HD1 LEU 28 -0.322 0.074 1.514
182 HD13 LEU 28 3HD1 LEU 28 -0.408 -1.092 0.194
183 HD21 LEU 28 3HD2 LEU 28 -2.505 0.002 -1.768
184 HD22 LEU 28 1HD2 LEU 28 -3.763 -0.625 -0.703
185 HD23 LEU 28 2HD2 LEU 28 -2.256 -1.518 -0.909
186 H VAL 29 H VAL 29 -3.876 3.369 1.007
187 HA VAL 29 HA VAL 29 -1.924 4.492 -0.498
188 HB VAL 29 HB VAL 29 -4.136 6.000 0.902
189 HG11 VAL 29 1HG1 VAL 29 -2.786 7.707 0.151
190 HG12 VAL 29 2HG1 VAL 29 -2.192 6.776 -1.226
191 HG13 VAL 29 3HG1 VAL 29 -3.823 7.447 -1.251
192 HG21 VAL 29 3HG2 VAL 29 -4.024 4.249 -1.474
193 HG22 VAL 29 1HG2 VAL 29 -5.356 4.578 -0.366
194 HG23 VAL 29 2HG2 VAL 29 -4.962 5.733 -1.639
195 H ARG 30 H ARG 30 -2.773 5.543 2.799
196 HA ARG 30 HA ARG 30 -0.704 7.467 2.987
197 HB2 ARG 30 1HB ARG 30 -2.727 7.488 4.408
198 HB3 ARG 30 2HB ARG 30 -2.163 6.029 5.210
199 HG2 ARG 30 1HG ARG 30 -0.176 7.258 5.992
200 HG3 ARG 30 2HG ARG 30 -0.820 8.722 5.246
201 HD2 ARG 30 1HD ARG 30 -2.537 8.908 6.778
202 HD3 ARG 30 2HD ARG 30 -2.504 7.191 7.176
203 HE ARG 30 HE ARG 30 -0.092 8.163 8.034
204 HH11 ARG 30 1HH1 ARG 30 -3.438 8.903 8.652
205 HH12 ARG 30 2HH1 ARG 30 -3.154 9.442 10.274
206 HH21 ARG 30 1HH2 ARG 30 0.294 8.870 10.168
207 HH22 ARG 30 2HH2 ARG 30 -1.031 9.424 11.135
208 H HIS 31 H HIS 31 -0.964 4.099 4.052
209 HA HIS 31 HA HIS 31 1.333 3.813 5.519
210 HB2 HIS 31 1HB HIS 31 0.101 1.873 5.484
211 HB3 HIS 31 2HB HIS 31 -0.223 1.983 3.756
212 HD1 HIS 31 HD1 HIS 31 2.176 0.588 6.220
213 HD2 HIS 31 HD2 HIS 31 1.808 0.910 2.095
214 HE1 HIS 31 HE1 HIS 31 3.883 -0.993 5.267
215 H ARG 32 H ARG 32 1.026 3.549 1.986
216 HA ARG 32 HA ARG 32 3.547 2.847 1.250
217 HB2 ARG 32 1HB ARG 32 1.896 5.009 -0.071
218 HB3 ARG 32 2HB ARG 32 3.202 4.103 -0.823
219 HG2 ARG 32 1HG ARG 32 0.747 2.768 0.274
220 HG3 ARG 32 2HG ARG 32 0.838 3.386 -1.377
221 HD2 ARG 32 1HD ARG 32 2.958 1.552 -0.332
222 HD3 ARG 32 2HD ARG 32 1.422 0.899 -0.898
223 HE ARG 32 HE ARG 32 2.760 2.695 -2.732
224 HH11 ARG 32 1HH1 ARG 32 2.248 -0.597 -1.721
225 HH12 ARG 32 2HH1 ARG 32 2.732 -1.276 -3.239
226 HH21 ARG 32 1HH2 ARG 32 3.399 1.813 -4.736
227 HH22 ARG 32 2HH2 ARG 32 3.388 0.095 -4.953
228 H GLY 33 H GLY 33 2.575 5.804 2.753
229 HA2 GLY 33 1HA GLY 33 4.504 7.613 2.016
230 HA3 GLY 33 2HA GLY 33 3.835 7.513 3.638
231 H ILE 34 H ILE 34 4.832 4.980 4.358
232 HA ILE 34 HA ILE 34 7.296 5.608 5.442
233 HB ILE 34 HB ILE 34 7.571 3.268 5.970
234 HG12 ILE 34 1HG1 ILE 34 5.212 2.638 4.199
235 HG13 ILE 34 2HG1 ILE 34 6.873 2.515 3.628
236 HG21 ILE 34 1HG2 ILE 34 6.021 4.275 7.398
237 HG22 ILE 34 2HG2 ILE 34 4.779 4.348 6.149
238 HG23 ILE 34 3HG2 ILE 34 5.216 2.798 6.868
239 HD11 ILE 34 3HD1 ILE 34 7.240 0.606 4.735
240 HD12 ILE 34 1HD1 ILE 34 6.330 1.127 6.152
241 HD13 ILE 34 2HD1 ILE 34 5.481 0.491 4.743
242 H HIS 35 H HIS 35 6.532 4.264 2.310
243 HA HIS 35 HA HIS 35 9.353 3.779 1.728
244 HB2 HIS 35 1HB HIS 35 6.979 3.319 -0.082
245 HB3 HIS 35 2HB HIS 35 8.606 2.671 -0.270
246 HD1 HIS 35 HD1 HIS 35 9.316 0.789 1.454
247 HD2 HIS 35 HD2 HIS 35 5.296 1.836 1.510
248 HE1 HIS 35 HE1 HIS 35 8.158 -1.059 2.705
249 H THR 36 H THR 36 8.630 6.465 2.153
250 HA THR 36 HA THR 36 9.757 7.689 -0.120
251 HB THR 36 HB THR 36 7.510 7.277 -1.082
252 HG1 THR 36 HG1 THR 36 8.019 9.054 -2.098
253 HG21 THR 36 3HG2 THR 36 6.639 8.959 1.258
254 HG22 THR 36 1HG2 THR 36 6.062 7.361 0.788
255 HG23 THR 36 2HG2 THR 36 5.654 8.769 -0.192
256 H GLY 37 H GLY 37 10.407 9.777 0.303
257 HA2 GLY 37 1HA GLY 37 9.734 11.844 1.640
258 HA3 GLY 37 2HA GLY 37 9.775 10.749 3.015
259 H GLU 38 H GLU 38 11.324 12.456 3.754
260 HA GLU 38 HA GLU 38 13.729 13.127 2.723
261 HB2 GLU 38 1HB GLU 38 13.203 12.308 5.585
262 HB3 GLU 38 2HB GLU 38 14.609 13.211 5.041
263 HG2 GLU 38 1HG GLU 38 13.225 14.864 5.854
264 HG3 GLU 38 2HG GLU 38 12.892 14.899 4.123
265 H LYS 39 H LYS 39 15.477 12.105 2.014
266 HA LYS 39 HA LYS 39 17.083 10.524 1.689
267 HB2 LYS 39 1HB LYS 39 17.128 10.543 4.221
268 HB3 LYS 39 2HB LYS 39 16.048 9.155 4.172
269 HG2 LYS 39 1HG LYS 39 17.903 8.156 2.615
270 HG3 LYS 39 2HG LYS 39 18.921 9.352 3.423
271 HD2 LYS 39 1HD LYS 39 17.190 7.386 4.910
272 HD3 LYS 39 2HD LYS 39 18.870 7.058 4.478
273 HE2 LYS 39 1HE LYS 39 19.240 9.411 5.632
274 HE3 LYS 39 2HE LYS 39 17.747 8.971 6.460
275 HZ1 LYS 39 3HZ LYS 39 19.722 6.869 6.367
276 HZ2 LYS 39 1HZ LYS 39 18.784 7.417 7.663
277 HZ3 LYS 39 2HZ LYS 39 20.207 8.231 7.246
278 HA PRO 40 HA PRO 40 13.558 7.769 0.170
279 HB2 PRO 40 1HB PRO 40 13.611 8.583 -2.420
280 HB3 PRO 40 2HB PRO 40 12.606 9.358 -1.190
281 HG2 PRO 40 1HG PRO 40 15.262 10.208 -2.277
282 HG3 PRO 40 2HG PRO 40 13.829 11.193 -1.929
283 HD2 PRO 40 1HD PRO 40 15.952 11.068 -0.254
284 HD3 PRO 40 2HD PRO 40 14.290 11.292 0.327
285 H SER 41 H SER 41 13.795 5.953 -1.215
286 HA SER 41 HA SER 41 16.598 5.303 -1.784
287 HB2 SER 41 1HB SER 41 14.159 3.645 -1.213
288 HB3 SER 41 2HB SER 41 15.546 2.930 -2.034
289 HG SER 41 HG SER 41 15.562 4.211 0.500
290 H GLY 42 H GLY 42 17.318 4.837 -3.796
291 HA2 GLY 42 1HA GLY 42 15.322 4.948 -5.974
292 HA3 GLY 42 2HA GLY 42 16.925 5.658 -6.097
293 HA PRO 43 HA PRO 43 18.242 1.952 -8.058
294 HB2 PRO 43 1HB PRO 43 20.918 2.190 -7.666
295 HB3 PRO 43 2HB PRO 43 20.027 3.174 -8.833
296 HG2 PRO 43 1HG PRO 43 20.923 3.868 -6.062
297 HG3 PRO 43 2HG PRO 43 20.986 4.850 -7.537
298 HD2 PRO 43 1HD PRO 43 19.065 5.169 -5.656
299 HD3 PRO 43 2HD PRO 43 18.766 5.451 -7.383
300 H SER 44 H SER 44 17.823 0.046 -7.126
301 HA SER 44 HA SER 44 19.628 -0.991 -5.127
302 HB2 SER 44 1HB SER 44 16.715 -0.494 -4.505
303 HB3 SER 44 2HB SER 44 17.692 -1.660 -3.613
304 HG SER 44 HG SER 44 19.023 -0.000 -2.941
305 H SER 45 H SER 45 19.361 -3.284 -4.776
306 HA SER 45 HA SER 45 18.064 -4.584 -7.072
307 HB2 SER 45 1HB SER 45 20.611 -4.795 -6.568
308 HB3 SER 45 2HB SER 45 20.099 -5.925 -5.314
309 HG SER 45 HG SER 45 19.957 -7.341 -6.845
310 H GLY 46 H GLY 46 18.692 -5.078 -3.599
311 HA2 GLY 46 1HA GLY 46 17.532 -6.259 -2.005
312 HA3 GLY 46 2HA GLY 46 16.100 -5.728 -2.876