NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
19636 |
2eof   |
10216 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -5.345 -0.712 -27.945
2 HA2 GLY 1 1HA GLY 1 -3.817 -2.278 -26.134
3 HA3 GLY 1 2HA GLY 1 -3.253 -0.614 -26.124
4 H SER 2 H SER 2 -3.928 -0.662 -23.864
5 HA SER 2 HA SER 2 -6.826 -0.195 -23.593
6 HB2 SER 2 1HB SER 2 -6.713 -1.063 -21.322
7 HB3 SER 2 2HB SER 2 -6.076 -2.267 -22.442
8 HG SER 2 HG SER 2 -4.283 -0.457 -21.298
9 H SER 3 H SER 3 -7.213 1.064 -21.413
10 HA SER 3 HA SER 3 -5.178 3.064 -20.880
11 HB2 SER 3 1HB SER 3 -6.203 4.149 -22.734
12 HB3 SER 3 2HB SER 3 -7.823 3.727 -22.178
13 HG SER 3 HG SER 3 -7.405 5.101 -20.346
14 H GLY 4 H GLY 4 -5.640 4.360 -19.011
15 HA2 GLY 4 1HA GLY 4 -6.656 4.848 -16.985
16 HA3 GLY 4 2HA GLY 4 -8.009 3.829 -17.456
17 H SER 5 H SER 5 -6.890 3.881 -14.870
18 HA SER 5 HA SER 5 -5.325 1.420 -14.671
19 HB2 SER 5 1HB SER 5 -5.103 2.036 -12.272
20 HB3 SER 5 2HB SER 5 -4.526 3.303 -13.354
21 HG SER 5 HG SER 5 -6.353 4.477 -12.951
22 H SER 6 H SER 6 -6.887 -0.127 -15.168
23 HA SER 6 HA SER 6 -8.785 -0.647 -13.000
24 HB2 SER 6 1HB SER 6 -9.448 -0.222 -15.877
25 HB3 SER 6 2HB SER 6 -10.337 -1.468 -15.000
26 HG SER 6 HG SER 6 -10.640 0.301 -13.373
27 H GLY 7 H GLY 7 -9.040 -2.778 -12.498
28 HA2 GLY 7 1HA GLY 7 -8.192 -4.861 -14.311
29 HA3 GLY 7 2HA GLY 7 -7.120 -4.634 -12.937
30 H THR 8 H THR 8 -7.622 -6.776 -12.261
31 HA THR 8 HA THR 8 -10.181 -6.924 -10.820
32 HB THR 8 HB THR 8 -10.242 -9.384 -11.321
33 HG1 THR 8 HG1 THR 8 -8.435 -8.754 -13.422
34 HG21 THR 8 3HG2 THR 8 -10.610 -8.702 -13.976
35 HG22 THR 8 1HG2 THR 8 -10.844 -7.179 -13.120
36 HG23 THR 8 2HG2 THR 8 -11.818 -8.587 -12.696
37 H GLY 9 H GLY 9 -9.381 -6.612 -8.794
38 HA2 GLY 9 1HA GLY 9 -8.459 -8.610 -7.227
39 HA3 GLY 9 2HA GLY 9 -6.977 -7.954 -7.908
40 H GLU 10 H GLU 10 -9.833 -7.151 -5.993
41 HA GLU 10 HA GLU 10 -8.522 -4.724 -5.024
42 HB2 GLU 10 1HB GLU 10 -11.322 -5.760 -4.993
43 HB3 GLU 10 2HB GLU 10 -10.837 -4.620 -3.746
44 HG2 GLU 10 1HG GLU 10 -10.065 -3.097 -5.588
45 HG3 GLU 10 2HG GLU 10 -10.849 -4.199 -6.719
46 H LYS 11 H LYS 11 -7.793 -4.463 -2.979
47 HA LYS 11 HA LYS 11 -7.982 -6.799 -1.192
48 HB2 LYS 11 1HB LYS 11 -5.796 -4.713 -1.331
49 HB3 LYS 11 2HB LYS 11 -5.834 -6.094 -0.242
50 HG2 LYS 11 1HG LYS 11 -5.888 -6.425 -3.222
51 HG3 LYS 11 2HG LYS 11 -4.379 -6.275 -2.319
52 HD2 LYS 11 1HD LYS 11 -4.595 -8.548 -2.313
53 HD3 LYS 11 2HD LYS 11 -5.501 -8.170 -0.846
54 HE2 LYS 11 1HE LYS 11 -7.519 -8.645 -1.808
55 HE3 LYS 11 2HE LYS 11 -6.976 -8.200 -3.425
56 HZ1 LYS 11 3HZ LYS 11 -6.837 -10.379 -3.780
57 HZ2 LYS 11 1HZ LYS 11 -6.954 -10.759 -2.136
58 HZ3 LYS 11 2HZ LYS 11 -5.453 -10.364 -2.807
59 HA PRO 12 HA PRO 12 -9.992 -4.342 1.843
60 HB2 PRO 12 1HB PRO 12 -9.085 -5.507 4.121
61 HB3 PRO 12 2HB PRO 12 -10.261 -6.278 3.050
62 HG2 PRO 12 1HG PRO 12 -7.306 -6.719 3.250
63 HG3 PRO 12 2HG PRO 12 -8.607 -7.913 3.080
64 HD2 PRO 12 1HD PRO 12 -7.088 -7.105 0.988
65 HD3 PRO 12 2HD PRO 12 -8.790 -7.575 0.807
66 H TYR 13 H TYR 13 -6.648 -4.301 1.424
67 HA TYR 13 HA TYR 13 -6.336 -2.137 3.399
68 HB2 TYR 13 1HB TYR 13 -4.104 -3.778 2.199
69 HB3 TYR 13 2HB TYR 13 -4.012 -2.679 3.570
70 HD1 TYR 13 HD2 TYR 13 -5.011 -3.323 5.741
71 HD2 TYR 13 HD1 TYR 13 -4.861 -6.032 2.463
72 HE1 TYR 13 HE2 TYR 13 -5.444 -5.195 7.276
73 HE2 TYR 13 HE1 TYR 13 -5.295 -7.911 3.989
74 HH TYR 13 HH TYR 13 -5.042 -7.661 7.331
75 H GLU 14 H GLU 14 -6.015 -0.157 2.635
76 HA GLU 14 HA GLU 14 -4.856 0.167 -0.045
77 HB2 GLU 14 1HB GLU 14 -7.475 1.154 0.962
78 HB3 GLU 14 2HB GLU 14 -6.545 2.238 -0.062
79 HG2 GLU 14 1HG GLU 14 -6.376 0.118 -1.600
80 HG3 GLU 14 2HG GLU 14 -7.826 -0.361 -0.719
81 H CYS 15 H CYS 15 -3.452 1.841 -0.276
82 HA CYS 15 HA CYS 15 -2.474 3.076 2.129
83 HB2 CYS 15 1HB CYS 15 -1.146 2.270 0.026
84 HB3 CYS 15 2HB CYS 15 -1.565 3.853 -0.622
85 H ASN 16 H ASN 16 -2.897 5.053 2.886
86 HA ASN 16 HA ASN 16 -4.823 6.697 1.460
87 HB2 ASN 16 1HB ASN 16 -4.997 6.185 3.931
88 HB3 ASN 16 2HB ASN 16 -3.595 7.224 4.170
89 HD21 ASN 16 1HD2 ASN 16 -4.005 9.255 4.632
90 HD22 ASN 16 2HD2 ASN 16 -5.463 10.109 4.268
91 H GLU 17 H GLU 17 -2.016 6.440 0.537
92 HA GLU 17 HA GLU 17 -1.376 9.311 0.517
93 HB2 GLU 17 1HB GLU 17 0.531 7.003 0.889
94 HB3 GLU 17 2HB GLU 17 1.063 8.605 0.395
95 HG2 GLU 17 1HG GLU 17 0.576 9.547 2.439
96 HG3 GLU 17 2HG GLU 17 -0.591 8.294 2.856
97 H CYS 18 H CYS 18 -0.725 6.189 -1.065
98 HA CYS 18 HA CYS 18 -0.624 7.617 -3.641
99 HB2 CYS 18 1HB CYS 18 0.811 5.842 -4.476
100 HB3 CYS 18 2HB CYS 18 1.505 6.523 -3.008
101 H GLN 19 H GLN 19 -2.480 5.600 -1.767
102 HA GLN 19 HA GLN 19 -4.353 4.370 -2.157
103 HB2 GLN 19 1HB GLN 19 -4.153 5.595 -4.913
104 HB3 GLN 19 2HB GLN 19 -5.548 4.721 -4.295
105 HG2 GLN 19 1HG GLN 19 -4.437 7.254 -3.109
106 HG3 GLN 19 2HG GLN 19 -5.815 7.164 -4.206
107 HE21 GLN 19 1HE2 GLN 19 -5.295 7.855 -1.235
108 HE22 GLN 19 2HE2 GLN 19 -6.586 7.045 -0.421
109 H LYS 20 H LYS 20 -2.147 2.891 -2.167
110 HA LYS 20 HA LYS 20 -2.385 1.125 -4.513
111 HB2 LYS 20 1HB LYS 20 -0.138 2.202 -4.016
112 HB3 LYS 20 2HB LYS 20 -0.078 1.202 -2.571
113 HG2 LYS 20 1HG LYS 20 0.141 -0.761 -3.779
114 HG3 LYS 20 2HG LYS 20 -0.515 -0.044 -5.252
115 HD2 LYS 20 1HD LYS 20 1.492 1.296 -5.524
116 HD3 LYS 20 2HD LYS 20 2.141 0.667 -4.007
117 HE2 LYS 20 1HE LYS 20 1.399 -1.122 -6.306
118 HE3 LYS 20 2HE LYS 20 2.994 -0.385 -6.166
119 HZ1 LYS 20 3HZ LYS 20 2.323 -1.571 -3.712
120 HZ2 LYS 20 1HZ LYS 20 3.582 -1.975 -4.767
121 HZ3 LYS 20 2HZ LYS 20 2.068 -2.708 -4.937
122 H ALA 21 H ALA 21 -3.378 -0.746 -4.192
123 HA ALA 21 HA ALA 21 -4.153 -1.613 -1.583
124 HB1 ALA 21 3HB ALA 21 -5.483 -3.158 -2.637
125 HB2 ALA 21 1HB ALA 21 -5.321 -1.942 -3.904
126 HB3 ALA 21 2HB ALA 21 -4.339 -3.407 -3.956
127 H PHE 22 H PHE 22 -3.506 -3.444 -0.447
128 HA PHE 22 HA PHE 22 -1.076 -4.794 -1.401
129 HB2 PHE 22 1HB PHE 22 -1.529 -3.600 1.338
130 HB3 PHE 22 2HB PHE 22 -0.241 -4.746 0.980
131 HD1 PHE 22 HD2 PHE 22 -1.573 -1.411 0.067
132 HD2 PHE 22 HD1 PHE 22 1.786 -4.025 0.078
133 HE1 PHE 22 HE2 PHE 22 -0.132 0.444 -0.662
134 HE2 PHE 22 HE1 PHE 22 3.233 -2.173 -0.651
135 HZ PHE 22 HZ PHE 22 2.275 0.064 -1.023
136 H ASN 23 H ASN 23 -0.629 -6.829 -0.196
137 HA ASN 23 HA ASN 23 -3.055 -8.365 0.010
138 HB2 ASN 23 1HB ASN 23 -1.470 -10.269 0.446
139 HB3 ASN 23 2HB ASN 23 -1.186 -9.415 -1.068
140 HD21 ASN 23 1HD2 ASN 23 0.635 -8.114 -1.281
141 HD22 ASN 23 2HD2 ASN 23 1.978 -8.236 -0.200
142 H THR 24 H THR 24 -0.424 -7.453 2.213
143 HA THR 24 HA THR 24 -2.181 -8.176 4.468
144 HB THR 24 HB THR 24 -0.100 -8.509 5.806
145 HG1 THR 24 HG1 THR 24 1.464 -7.445 4.682
146 HG21 THR 24 3HG2 THR 24 0.544 -10.673 4.692
147 HG22 THR 24 1HG2 THR 24 -0.523 -10.224 3.362
148 HG23 THR 24 2HG2 THR 24 -1.184 -10.467 4.979
149 H LYS 25 H LYS 25 -1.876 -6.898 6.432
150 HA LYS 25 HA LYS 25 -1.804 -4.103 5.844
151 HB2 LYS 25 1HB LYS 25 -3.337 -4.925 7.522
152 HB3 LYS 25 2HB LYS 25 -2.013 -5.607 8.457
153 HG2 LYS 25 1HG LYS 25 -1.178 -3.121 8.500
154 HG3 LYS 25 2HG LYS 25 -2.879 -2.775 8.178
155 HD2 LYS 25 1HD LYS 25 -2.137 -4.667 10.370
156 HD3 LYS 25 2HD LYS 25 -2.018 -2.926 10.637
157 HE2 LYS 25 1HE LYS 25 -4.166 -3.338 11.344
158 HE3 LYS 25 2HE LYS 25 -4.441 -2.910 9.656
159 HZ1 LYS 25 3HZ LYS 25 -5.639 -4.934 10.440
160 HZ2 LYS 25 1HZ LYS 25 -4.141 -5.706 10.600
161 HZ3 LYS 25 2HZ LYS 25 -4.666 -5.183 9.079
162 H SER 26 H SER 26 0.262 -6.271 7.762
163 HA SER 26 HA SER 26 2.086 -4.585 8.828
164 HB2 SER 26 1HB SER 26 2.800 -7.154 7.393
165 HB3 SER 26 2HB SER 26 3.747 -6.366 8.654
166 HG SER 26 HG SER 26 2.611 -7.789 9.791
167 H ASN 27 H ASN 27 2.178 -5.803 5.487
168 HA ASN 27 HA ASN 27 4.499 -4.429 4.703
169 HB2 ASN 27 1HB ASN 27 2.142 -5.419 3.087
170 HB3 ASN 27 2HB ASN 27 3.616 -4.774 2.370
171 HD21 ASN 27 1HD2 ASN 27 3.340 -7.056 1.446
172 HD22 ASN 27 2HD2 ASN 27 4.199 -8.305 2.276
173 H LEU 28 H LEU 28 1.067 -3.567 4.354
174 HA LEU 28 HA LEU 28 1.395 -1.158 3.000
175 HB2 LEU 28 1HB LEU 28 -0.780 -2.010 3.137
176 HB3 LEU 28 2HB LEU 28 -0.700 -2.169 4.891
177 HG LEU 28 HG LEU 28 -0.755 0.312 5.060
178 HD11 LEU 28 1HD1 LEU 28 -1.458 1.595 3.094
179 HD12 LEU 28 2HD1 LEU 28 -1.286 0.151 2.097
180 HD13 LEU 28 3HD1 LEU 28 0.131 0.863 2.868
181 HD21 LEU 28 3HD2 LEU 28 -2.781 -1.110 5.258
182 HD22 LEU 28 1HD2 LEU 28 -3.085 -0.849 3.540
183 HD23 LEU 28 2HD2 LEU 28 -3.115 0.515 4.658
184 H MET 29 H MET 29 1.000 -1.653 6.512
185 HA MET 29 HA MET 29 1.224 0.902 7.424
186 HB2 MET 29 1HB MET 29 2.489 -1.570 8.618
187 HB3 MET 29 2HB MET 29 2.277 -0.046 9.470
188 HG2 MET 29 1HG MET 29 -0.113 -1.306 8.244
189 HG3 MET 29 2HG MET 29 0.559 -2.030 9.703
190 HE1 MET 29 3HE MET 29 0.615 0.953 12.136
191 HE2 MET 29 1HE MET 29 0.017 -0.695 12.331
192 HE3 MET 29 2HE MET 29 1.531 -0.402 11.475
193 H VAL 30 H VAL 30 3.990 -1.290 6.898
194 HA VAL 30 HA VAL 30 5.962 0.677 7.385
195 HB VAL 30 HB VAL 30 6.182 -1.888 5.803
196 HG11 VAL 30 1HG1 VAL 30 8.523 -1.702 5.943
197 HG12 VAL 30 2HG1 VAL 30 7.964 -0.108 5.430
198 HG13 VAL 30 3HG1 VAL 30 8.431 -0.382 7.109
199 HG21 VAL 30 3HG2 VAL 30 6.629 -1.246 8.711
200 HG22 VAL 30 1HG2 VAL 30 5.506 -2.415 8.016
201 HG23 VAL 30 2HG2 VAL 30 7.244 -2.708 7.938
202 H HIS 31 H HIS 31 4.220 -0.304 4.514
203 HA HIS 31 HA HIS 31 5.895 0.965 2.615
204 HB2 HIS 31 1HB HIS 31 4.459 -0.624 1.689
205 HB3 HIS 31 2HB HIS 31 3.065 -0.032 2.588
206 HD1 HIS 31 HD1 HIS 31 5.197 0.814 -0.405
207 HD2 HIS 31 HD2 HIS 31 1.561 1.881 1.300
208 HE1 HIS 31 HE1 HIS 31 4.048 2.254 -2.117
209 H GLN 32 H GLN 32 3.622 2.164 4.870
210 HA GLN 32 HA GLN 32 2.954 4.566 3.447
211 HB2 GLN 32 1HB GLN 32 2.593 3.757 6.335
212 HB3 GLN 32 2HB GLN 32 2.008 5.274 5.664
213 HG2 GLN 32 1HG GLN 32 0.692 3.913 4.012
214 HG3 GLN 32 2HG GLN 32 1.132 2.490 4.955
215 HE21 GLN 32 1HE2 GLN 32 -0.505 1.869 6.155
216 HE22 GLN 32 2HE2 GLN 32 -1.577 2.899 7.035
217 H ARG 33 H ARG 33 5.019 3.817 6.250
218 HA ARG 33 HA ARG 33 6.054 6.472 6.434
219 HB2 ARG 33 1HB ARG 33 7.636 5.505 8.057
220 HB3 ARG 33 2HB ARG 33 5.975 5.037 8.395
221 HG2 ARG 33 1HG ARG 33 6.577 2.919 7.009
222 HG3 ARG 33 2HG ARG 33 8.239 3.384 7.379
223 HD2 ARG 33 1HD ARG 33 6.206 3.251 9.565
224 HD3 ARG 33 2HD ARG 33 6.945 1.767 8.966
225 HE ARG 33 HE ARG 33 8.217 3.847 10.523
226 HH11 ARG 33 1HH1 ARG 33 8.645 1.072 8.464
227 HH12 ARG 33 2HH1 ARG 33 10.244 0.732 9.035
228 HH21 ARG 33 1HH2 ARG 33 10.322 3.409 11.283
229 HH22 ARG 33 2HH2 ARG 33 11.197 2.061 10.640
230 H THR 34 H THR 34 7.203 3.443 5.025
231 HA THR 34 HA THR 34 9.804 4.148 4.391
232 HB THR 34 HB THR 34 8.656 1.885 4.064
233 HG1 THR 34 HG1 THR 34 10.188 2.625 1.806
234 HG21 THR 34 3HG2 THR 34 8.027 3.085 1.365
235 HG22 THR 34 1HG2 THR 34 6.834 2.743 2.616
236 HG23 THR 34 2HG2 THR 34 7.735 1.422 1.874
237 H HIS 35 H HIS 35 6.807 5.034 2.815
238 HA HIS 35 HA HIS 35 7.424 5.832 0.338
239 HB2 HIS 35 1HB HIS 35 5.737 7.073 2.451
240 HB3 HIS 35 2HB HIS 35 6.059 8.032 1.010
241 HD1 HIS 35 HD1 HIS 35 5.791 6.081 -1.226
242 HD2 HIS 35 HD2 HIS 35 3.285 6.009 2.087
243 HE1 HIS 35 HE1 HIS 35 3.710 4.890 -1.983
244 H THR 36 H THR 36 8.245 7.695 3.251
245 HA THR 36 HA THR 36 9.829 9.556 1.669
246 HB THR 36 HB THR 36 8.446 10.464 3.478
247 HG1 THR 36 HG1 THR 36 10.373 11.449 4.663
248 HG21 THR 36 3HG2 THR 36 8.335 9.545 5.507
249 HG22 THR 36 1HG2 THR 36 10.083 9.657 5.710
250 HG23 THR 36 2HG2 THR 36 9.376 8.250 4.917
251 H GLY 37 H GLY 37 11.732 8.711 1.029
252 HA2 GLY 37 1HA GLY 37 13.957 8.545 2.536
253 HA3 GLY 37 2HA GLY 37 13.247 6.953 2.764
254 H GLU 38 H GLU 38 13.115 5.520 1.001
255 HA GLU 38 HA GLU 38 15.263 5.278 -0.631
256 HB2 GLU 38 1HB GLU 38 13.280 3.669 -0.268
257 HB3 GLU 38 2HB GLU 38 12.539 4.491 -1.634
258 HG2 GLU 38 1HG GLU 38 13.754 2.372 -2.177
259 HG3 GLU 38 2HG GLU 38 14.246 3.786 -3.107
260 H SER 39 H SER 39 16.086 6.898 -1.814
261 HA SER 39 HA SER 39 14.827 9.000 -3.021
262 HB2 SER 39 1HB SER 39 16.771 9.158 -4.527
263 HB3 SER 39 2HB SER 39 17.269 8.803 -2.873
264 HG SER 39 HG SER 39 18.204 7.102 -3.645
265 H GLY 40 H GLY 40 13.042 8.849 -4.235
266 HA2 GLY 40 1HA GLY 40 13.238 7.478 -6.792
267 HA3 GLY 40 2HA GLY 40 11.990 6.882 -5.707
268 HA PRO 41 HA PRO 41 9.266 9.876 -7.413
269 HB2 PRO 41 1HB PRO 41 7.451 10.019 -5.400
270 HB3 PRO 41 2HB PRO 41 7.564 8.637 -6.495
271 HG2 PRO 41 1HG PRO 41 8.653 8.952 -3.724
272 HG3 PRO 41 2HG PRO 41 7.833 7.559 -4.452
273 HD2 PRO 41 1HD PRO 41 10.524 7.689 -4.184
274 HD3 PRO 41 2HD PRO 41 9.738 6.842 -5.532
275 H SER 42 H SER 42 9.172 12.046 -7.480
276 HA SER 42 HA SER 42 10.661 13.587 -5.589
277 HB2 SER 42 1HB SER 42 10.245 13.979 -8.160
278 HB3 SER 42 2HB SER 42 8.826 14.856 -7.588
279 HG SER 42 HG SER 42 10.551 16.279 -7.742
280 H SER 43 H SER 43 9.897 14.067 -3.644
281 HA SER 43 HA SER 43 7.396 13.835 -2.638
282 HB2 SER 43 1HB SER 43 9.419 14.428 -1.313
283 HB3 SER 43 2HB SER 43 9.294 16.082 -1.914
284 HG SER 43 HG SER 43 7.142 14.820 -0.590
285 H GLY 44 H GLY 44 8.710 16.828 -4.063
286 HA2 GLY 44 1HA GLY 44 7.400 18.178 -5.553
287 HA3 GLY 44 2HA GLY 44 5.952 17.596 -4.744
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -13.250 -0.796 -26.883
2 HA2 GLY 1 1HA GLY 1 -13.321 0.584 -24.324
3 HA3 GLY 1 2HA GLY 1 -14.438 -0.656 -24.873
4 H SER 2 H SER 2 -11.075 -0.199 -23.824
5 HA SER 2 HA SER 2 -10.616 -2.945 -23.277
6 HB2 SER 2 1HB SER 2 -9.206 -0.425 -22.390
7 HB3 SER 2 2HB SER 2 -8.653 -2.037 -21.937
8 HG SER 2 HG SER 2 -8.883 -2.318 -24.417
9 H SER 3 H SER 3 -12.459 -3.572 -22.056
10 HA SER 3 HA SER 3 -13.281 -2.407 -19.651
11 HB2 SER 3 1HB SER 3 -14.376 -4.580 -19.192
12 HB3 SER 3 2HB SER 3 -14.661 -4.032 -20.844
13 HG SER 3 HG SER 3 -14.082 -6.237 -20.781
14 H GLY 4 H GLY 4 -11.516 -1.890 -18.359
15 HA2 GLY 4 1HA GLY 4 -9.752 -2.240 -16.909
16 HA3 GLY 4 2HA GLY 4 -10.791 -3.528 -16.317
17 H SER 5 H SER 5 -8.099 -2.736 -18.410
18 HA SER 5 HA SER 5 -7.635 -5.417 -19.286
19 HB2 SER 5 1HB SER 5 -5.823 -2.991 -19.299
20 HB3 SER 5 2HB SER 5 -5.470 -4.516 -20.111
21 HG SER 5 HG SER 5 -7.688 -4.064 -21.101
22 H SER 6 H SER 6 -5.873 -3.290 -17.029
23 HA SER 6 HA SER 6 -4.840 -5.715 -15.709
24 HB2 SER 6 1HB SER 6 -3.556 -3.018 -16.135
25 HB3 SER 6 2HB SER 6 -2.956 -4.168 -14.940
26 HG SER 6 HG SER 6 -2.967 -5.682 -16.846
27 H GLY 7 H GLY 7 -5.316 -6.001 -13.621
28 HA2 GLY 7 1HA GLY 7 -5.446 -4.931 -11.389
29 HA3 GLY 7 2HA GLY 7 -6.442 -3.698 -12.148
30 H THR 8 H THR 8 -6.319 -7.145 -11.357
31 HA THR 8 HA THR 8 -9.267 -7.145 -11.290
32 HB THR 8 HB THR 8 -7.421 -9.487 -11.799
33 HG1 THR 8 HG1 THR 8 -8.900 -7.766 -13.447
34 HG21 THR 8 3HG2 THR 8 -9.232 -10.486 -10.775
35 HG22 THR 8 1HG2 THR 8 -9.754 -10.487 -12.459
36 HG23 THR 8 2HG2 THR 8 -10.366 -9.263 -11.347
37 H GLY 9 H GLY 9 -10.198 -7.478 -9.375
38 HA2 GLY 9 1HA GLY 9 -10.487 -8.582 -7.304
39 HA3 GLY 9 2HA GLY 9 -8.787 -9.024 -7.330
40 H GLU 10 H GLU 10 -10.636 -7.583 -5.363
41 HA GLU 10 HA GLU 10 -9.074 -5.113 -5.049
42 HB2 GLU 10 1HB GLU 10 -10.854 -4.242 -3.735
43 HB3 GLU 10 2HB GLU 10 -11.592 -4.984 -5.148
44 HG2 GLU 10 1HG GLU 10 -12.256 -6.898 -3.877
45 HG3 GLU 10 2HG GLU 10 -11.357 -6.333 -2.470
46 H LYS 11 H LYS 11 -8.650 -4.477 -2.737
47 HA LYS 11 HA LYS 11 -8.116 -6.806 -1.028
48 HB2 LYS 11 1HB LYS 11 -6.161 -4.643 -1.806
49 HB3 LYS 11 2HB LYS 11 -5.918 -5.695 -0.418
50 HG2 LYS 11 1HG LYS 11 -5.620 -7.583 -1.742
51 HG3 LYS 11 2HG LYS 11 -6.389 -6.837 -3.144
52 HD2 LYS 11 1HD LYS 11 -4.499 -5.310 -3.379
53 HD3 LYS 11 2HD LYS 11 -3.736 -6.022 -1.955
54 HE2 LYS 11 1HE LYS 11 -4.444 -7.586 -4.430
55 HE3 LYS 11 2HE LYS 11 -2.867 -6.846 -4.163
56 HZ1 LYS 11 3HZ LYS 11 -4.086 -8.788 -2.284
57 HZ2 LYS 11 1HZ LYS 11 -2.491 -8.225 -2.296
58 HZ3 LYS 11 2HZ LYS 11 -3.038 -9.240 -3.533
59 HA PRO 12 HA PRO 12 -9.908 -4.320 2.132
60 HB2 PRO 12 1HB PRO 12 -8.855 -5.558 4.307
61 HB3 PRO 12 2HB PRO 12 -10.141 -6.269 3.326
62 HG2 PRO 12 1HG PRO 12 -7.198 -6.810 3.270
63 HG3 PRO 12 2HG PRO 12 -8.548 -7.957 3.190
64 HD2 PRO 12 1HD PRO 12 -7.181 -7.160 0.992
65 HD3 PRO 12 2HD PRO 12 -8.908 -7.570 0.947
66 H TYR 13 H TYR 13 -6.597 -4.406 1.460
67 HA TYR 13 HA TYR 13 -6.075 -2.244 3.394
68 HB2 TYR 13 1HB TYR 13 -3.988 -4.022 2.128
69 HB3 TYR 13 2HB TYR 13 -3.774 -2.900 3.467
70 HD1 TYR 13 HD2 TYR 13 -4.889 -3.420 5.672
71 HD2 TYR 13 HD1 TYR 13 -4.654 -6.252 2.506
72 HE1 TYR 13 HE2 TYR 13 -5.342 -5.234 7.269
73 HE2 TYR 13 HE1 TYR 13 -5.108 -8.074 4.094
74 HH TYR 13 HH TYR 13 -6.342 -8.199 6.447
75 H GLU 14 H GLU 14 -5.396 -0.319 2.644
76 HA GLU 14 HA GLU 14 -4.298 -0.062 -0.027
77 HB2 GLU 14 1HB GLU 14 -7.041 0.821 0.708
78 HB3 GLU 14 2HB GLU 14 -6.088 1.904 -0.296
79 HG2 GLU 14 1HG GLU 14 -5.913 0.322 -2.024
80 HG3 GLU 14 2HG GLU 14 -6.472 -0.989 -0.987
81 H CYS 15 H CYS 15 -3.368 2.023 -0.432
82 HA CYS 15 HA CYS 15 -2.526 3.334 2.037
83 HB2 CYS 15 1HB CYS 15 -0.997 2.519 0.045
84 HB3 CYS 15 2HB CYS 15 -1.442 4.075 -0.650
85 H ASN 16 H ASN 16 -3.034 5.380 2.578
86 HA ASN 16 HA ASN 16 -4.993 6.753 0.907
87 HB2 ASN 16 1HB ASN 16 -4.166 6.964 3.783
88 HB3 ASN 16 2HB ASN 16 -5.028 8.296 3.018
89 HD21 ASN 16 1HD2 ASN 16 -5.204 4.782 3.432
90 HD22 ASN 16 2HD2 ASN 16 -6.924 4.714 3.588
91 H GLU 17 H GLU 17 -2.082 6.660 0.287
92 HA GLU 17 HA GLU 17 -1.672 9.564 0.099
93 HB2 GLU 17 1HB GLU 17 0.372 7.483 0.871
94 HB3 GLU 17 2HB GLU 17 0.805 9.100 0.336
95 HG2 GLU 17 1HG GLU 17 -0.849 9.822 2.243
96 HG3 GLU 17 2HG GLU 17 -0.474 8.217 2.868
97 H CYS 18 H CYS 18 -0.543 6.408 -1.104
98 HA CYS 18 HA CYS 18 -0.107 7.638 -3.738
99 HB2 CYS 18 1HB CYS 18 1.309 5.711 -4.239
100 HB3 CYS 18 2HB CYS 18 1.840 6.494 -2.754
101 H GLN 19 H GLN 19 -2.280 5.734 -2.037
102 HA GLN 19 HA GLN 19 -4.160 4.606 -2.648
103 HB2 GLN 19 1HB GLN 19 -3.539 5.534 -5.456
104 HB3 GLN 19 2HB GLN 19 -5.087 4.948 -4.862
105 HG2 GLN 19 1HG GLN 19 -3.700 7.527 -4.220
106 HG3 GLN 19 2HG GLN 19 -5.279 7.282 -4.964
107 HE21 GLN 19 1HE2 GLN 19 -7.004 6.522 -3.649
108 HE22 GLN 19 2HE2 GLN 19 -6.993 6.792 -1.942
109 H LYS 20 H LYS 20 -1.845 3.145 -2.369
110 HA LYS 20 HA LYS 20 -1.962 1.190 -4.566
111 HB2 LYS 20 1HB LYS 20 0.263 2.161 -4.133
112 HB3 LYS 20 2HB LYS 20 0.185 1.585 -2.474
113 HG2 LYS 20 1HG LYS 20 0.210 -0.702 -3.210
114 HG3 LYS 20 2HG LYS 20 0.111 -0.198 -4.899
115 HD2 LYS 20 1HD LYS 20 2.291 1.114 -4.360
116 HD3 LYS 20 2HD LYS 20 2.406 0.011 -2.987
117 HE2 LYS 20 1HE LYS 20 1.877 -1.128 -5.686
118 HE3 LYS 20 2HE LYS 20 3.506 -0.559 -5.321
119 HZ1 LYS 20 3HZ LYS 20 3.783 -2.578 -4.446
120 HZ2 LYS 20 1HZ LYS 20 2.123 -2.895 -4.369
121 HZ3 LYS 20 2HZ LYS 20 2.874 -2.015 -3.135
122 H ALA 21 H ALA 21 -2.999 -0.646 -4.191
123 HA ALA 21 HA ALA 21 -3.905 -1.315 -1.539
124 HB1 ALA 21 3HB ALA 21 -5.483 -1.726 -3.223
125 HB2 ALA 21 1HB ALA 21 -4.307 -2.553 -4.245
126 HB3 ALA 21 2HB ALA 21 -4.889 -3.323 -2.768
127 H PHE 22 H PHE 22 -3.412 -3.185 -0.368
128 HA PHE 22 HA PHE 22 -1.044 -4.683 -1.260
129 HB2 PHE 22 1HB PHE 22 -1.523 -3.519 1.489
130 HB3 PHE 22 2HB PHE 22 -0.254 -4.682 1.118
131 HD1 PHE 22 HD2 PHE 22 -1.514 -1.315 0.187
132 HD2 PHE 22 HD1 PHE 22 1.818 -3.957 0.369
133 HE1 PHE 22 HE2 PHE 22 -0.020 0.529 -0.463
134 HE2 PHE 22 HE1 PHE 22 3.317 -2.117 -0.279
135 HZ PHE 22 HZ PHE 22 2.399 0.130 -0.697
136 H ASN 23 H ASN 23 -0.763 -6.758 -0.108
137 HA ASN 23 HA ASN 23 -3.270 -8.152 0.021
138 HB2 ASN 23 1HB ASN 23 -1.813 -10.143 0.499
139 HB3 ASN 23 2HB ASN 23 -1.419 -9.296 -0.994
140 HD21 ASN 23 1HD2 ASN 23 0.112 -10.999 1.000
141 HD22 ASN 23 2HD2 ASN 23 1.542 -10.081 1.313
142 H THR 24 H THR 24 -0.622 -7.578 2.332
143 HA THR 24 HA THR 24 -2.529 -8.128 4.512
144 HB THR 24 HB THR 24 -0.620 -8.749 5.915
145 HG1 THR 24 HG1 THR 24 0.847 -7.394 4.439
146 HG21 THR 24 3HG2 THR 24 0.152 -10.559 3.880
147 HG22 THR 24 1HG2 THR 24 -1.555 -10.193 3.635
148 HG23 THR 24 2HG2 THR 24 -1.002 -10.819 5.188
149 H LYS 25 H LYS 25 -2.128 -6.928 6.530
150 HA LYS 25 HA LYS 25 -1.883 -4.137 6.012
151 HB2 LYS 25 1HB LYS 25 -3.402 -5.048 7.728
152 HB3 LYS 25 2HB LYS 25 -2.014 -5.602 8.655
153 HG2 LYS 25 1HG LYS 25 -1.274 -3.188 8.747
154 HG3 LYS 25 2HG LYS 25 -2.867 -2.775 8.108
155 HD2 LYS 25 1HD LYS 25 -3.727 -4.258 10.076
156 HD3 LYS 25 2HD LYS 25 -2.127 -3.949 10.756
157 HE2 LYS 25 1HE LYS 25 -2.585 -1.491 10.369
158 HE3 LYS 25 2HE LYS 25 -4.253 -1.947 10.025
159 HZ1 LYS 25 3HZ LYS 25 -3.975 -1.278 12.328
160 HZ2 LYS 25 1HZ LYS 25 -2.807 -2.480 12.564
161 HZ3 LYS 25 2HZ LYS 25 -4.408 -2.911 12.234
162 H SER 26 H SER 26 0.054 -6.385 7.989
163 HA SER 26 HA SER 26 2.021 -4.735 8.888
164 HB2 SER 26 1HB SER 26 2.023 -7.046 9.535
165 HB3 SER 26 2HB SER 26 2.270 -7.571 7.869
166 HG SER 26 HG SER 26 4.265 -7.632 8.704
167 H ASN 27 H ASN 27 1.551 -5.870 5.626
168 HA ASN 27 HA ASN 27 4.130 -5.049 4.675
169 HB2 ASN 27 1HB ASN 27 1.585 -5.873 3.277
170 HB3 ASN 27 2HB ASN 27 3.036 -5.391 2.403
171 HD21 ASN 27 1HD2 ASN 27 2.860 -7.563 1.519
172 HD22 ASN 27 2HD2 ASN 27 3.551 -8.881 2.397
173 H LEU 28 H LEU 28 0.879 -3.677 4.688
174 HA LEU 28 HA LEU 28 1.549 -1.405 3.100
175 HB2 LEU 28 1HB LEU 28 -0.714 -1.987 3.100
176 HB3 LEU 28 2HB LEU 28 -0.768 -2.134 4.855
177 HG LEU 28 HG LEU 28 -0.500 0.358 4.980
178 HD11 LEU 28 1HD1 LEU 28 0.148 1.396 3.123
179 HD12 LEU 28 2HD1 LEU 28 -1.492 1.155 2.522
180 HD13 LEU 28 3HD1 LEU 28 -0.227 -0.006 2.120
181 HD21 LEU 28 3HD2 LEU 28 -2.936 -0.461 3.418
182 HD22 LEU 28 1HD2 LEU 28 -2.797 0.783 4.661
183 HD23 LEU 28 2HD2 LEU 28 -2.684 -0.921 5.103
184 H MET 29 H MET 29 1.048 -1.887 6.591
185 HA MET 29 HA MET 29 1.458 0.685 7.484
186 HB2 MET 29 1HB MET 29 1.974 -0.239 9.616
187 HB3 MET 29 2HB MET 29 0.820 -1.330 8.862
188 HG2 MET 29 1HG MET 29 2.595 -2.861 8.279
189 HG3 MET 29 2HG MET 29 3.798 -1.748 8.926
190 HE1 MET 29 3HE MET 29 4.457 -3.750 11.867
191 HE2 MET 29 1HE MET 29 4.113 -4.693 10.417
192 HE3 MET 29 2HE MET 29 4.941 -3.142 10.283
193 H VAL 30 H VAL 30 3.891 -1.784 6.744
194 HA VAL 30 HA VAL 30 6.124 -0.213 7.530
195 HB VAL 30 HB VAL 30 5.966 -2.590 5.673
196 HG11 VAL 30 1HG1 VAL 30 8.438 -1.505 7.001
197 HG12 VAL 30 2HG1 VAL 30 8.324 -2.757 5.763
198 HG13 VAL 30 3HG1 VAL 30 7.967 -1.078 5.356
199 HG21 VAL 30 3HG2 VAL 30 6.594 -3.916 7.529
200 HG22 VAL 30 1HG2 VAL 30 6.962 -2.497 8.510
201 HG23 VAL 30 2HG2 VAL 30 5.289 -2.873 8.096
202 H HIS 31 H HIS 31 4.430 -0.698 4.479
203 HA HIS 31 HA HIS 31 6.271 0.573 2.785
204 HB2 HIS 31 1HB HIS 31 4.673 -0.580 1.593
205 HB3 HIS 31 2HB HIS 31 3.359 -0.063 2.645
206 HD1 HIS 31 HD1 HIS 31 5.573 1.310 -0.107
207 HD2 HIS 31 HD2 HIS 31 1.901 2.037 1.695
208 HE1 HIS 31 HE1 HIS 31 4.487 3.106 -1.494
209 H GLN 32 H GLN 32 3.276 1.895 4.208
210 HA GLN 32 HA GLN 32 3.275 4.442 3.387
211 HB2 GLN 32 1HB GLN 32 2.908 3.602 6.268
212 HB3 GLN 32 2HB GLN 32 2.336 5.108 5.561
213 HG2 GLN 32 1HG GLN 32 0.946 3.752 3.993
214 HG3 GLN 32 2HG GLN 32 1.412 2.322 4.913
215 HE21 GLN 32 1HE2 GLN 32 -1.196 2.845 4.700
216 HE22 GLN 32 2HE2 GLN 32 -1.838 3.434 6.191
217 H ARG 33 H ARG 33 5.323 3.237 6.030
218 HA ARG 33 HA ARG 33 6.539 5.509 6.893
219 HB2 ARG 33 1HB ARG 33 7.755 2.793 6.393
220 HB3 ARG 33 2HB ARG 33 8.611 4.085 7.222
221 HG2 ARG 33 1HG ARG 33 6.913 4.127 8.958
222 HG3 ARG 33 2HG ARG 33 6.004 2.871 8.114
223 HD2 ARG 33 1HD ARG 33 7.260 1.860 9.896
224 HD3 ARG 33 2HD ARG 33 7.956 1.364 8.354
225 HE ARG 33 HE ARG 33 9.242 3.669 9.463
226 HH11 ARG 33 1HH1 ARG 33 9.098 0.191 9.546
227 HH12 ARG 33 2HH1 ARG 33 10.725 0.007 10.111
228 HH21 ARG 33 1HH2 ARG 33 11.387 3.439 10.206
229 HH22 ARG 33 2HH2 ARG 33 12.026 1.855 10.486
230 H THR 34 H THR 34 7.518 3.603 4.054
231 HA THR 34 HA THR 34 9.742 4.905 3.211
232 HB THR 34 HB THR 34 9.171 4.338 0.917
233 HG1 THR 34 HG1 THR 34 6.988 3.400 0.606
234 HG21 THR 34 3HG2 THR 34 9.128 2.042 1.173
235 HG22 THR 34 1HG2 THR 34 7.961 2.105 2.493
236 HG23 THR 34 2HG2 THR 34 9.641 2.558 2.779
237 H HIS 35 H HIS 35 6.405 5.919 2.493
238 HA HIS 35 HA HIS 35 6.862 8.125 0.940
239 HB2 HIS 35 1HB HIS 35 4.783 7.670 3.079
240 HB3 HIS 35 2HB HIS 35 4.770 9.086 2.031
241 HD1 HIS 35 HD1 HIS 35 5.331 7.890 -0.679
242 HD2 HIS 35 HD2 HIS 35 2.807 6.105 2.098
243 HE1 HIS 35 HE1 HIS 35 3.808 6.399 -2.015
244 H THR 36 H THR 36 6.180 8.482 4.417
245 HA THR 36 HA THR 36 7.278 11.071 4.580
246 HB THR 36 HB THR 36 5.629 10.165 6.202
247 HG1 THR 36 HG1 THR 36 7.268 11.927 6.649
248 HG21 THR 36 3HG2 THR 36 6.884 7.931 6.381
249 HG22 THR 36 1HG2 THR 36 6.193 8.602 7.858
250 HG23 THR 36 2HG2 THR 36 7.921 8.758 7.543
251 H GLY 37 H GLY 37 9.343 11.634 4.430
252 HA2 GLY 37 1HA GLY 37 11.375 10.574 6.059
253 HA3 GLY 37 2HA GLY 37 11.498 9.837 4.469
254 H GLU 38 H GLU 38 10.705 12.040 2.906
255 HA GLU 38 HA GLU 38 13.003 13.830 3.333
256 HB2 GLU 38 1HB GLU 38 12.876 12.326 1.246
257 HB3 GLU 38 2HB GLU 38 11.613 13.419 0.697
258 HG2 GLU 38 1HG GLU 38 13.064 15.178 0.416
259 HG3 GLU 38 2HG GLU 38 14.235 14.535 1.566
260 H SER 39 H SER 39 12.664 16.024 2.204
261 HA SER 39 HA SER 39 9.939 16.986 2.785
262 HB2 SER 39 1HB SER 39 12.563 18.412 3.288
263 HB3 SER 39 2HB SER 39 10.966 19.123 3.518
264 HG SER 39 HG SER 39 10.766 17.013 4.887
265 H GLY 40 H GLY 40 9.078 18.569 1.439
266 HA2 GLY 40 1HA GLY 40 9.944 18.490 -1.266
267 HA3 GLY 40 2HA GLY 40 8.672 19.514 -0.617
268 HA PRO 41 HA PRO 41 12.845 21.787 -1.439
269 HB2 PRO 41 1HB PRO 41 12.592 22.456 -4.058
270 HB3 PRO 41 2HB PRO 41 13.410 20.985 -3.517
271 HG2 PRO 41 1HG PRO 41 10.622 21.331 -4.552
272 HG3 PRO 41 2HG PRO 41 11.804 20.063 -4.923
273 HD2 PRO 41 1HD PRO 41 9.775 19.695 -3.169
274 HD3 PRO 41 2HD PRO 41 11.351 18.898 -2.987
275 H SER 42 H SER 42 12.981 24.041 -1.529
276 HA SER 42 HA SER 42 10.926 25.563 -0.641
277 HB2 SER 42 1HB SER 42 12.168 27.504 -1.247
278 HB3 SER 42 2HB SER 42 13.360 26.245 -0.924
279 HG SER 42 HG SER 42 13.999 27.061 -2.825
280 H SER 43 H SER 43 9.713 27.339 -1.718
281 HA SER 43 HA SER 43 9.123 27.064 -4.522
282 HB2 SER 43 1HB SER 43 7.297 25.966 -2.433
283 HB3 SER 43 2HB SER 43 6.574 26.786 -3.817
284 HG SER 43 HG SER 43 7.217 24.345 -3.809
285 H GLY 44 H GLY 44 7.308 28.596 -5.159
286 HA2 GLY 44 1HA GLY 44 6.329 30.681 -5.108
287 HA3 GLY 44 2HA GLY 44 6.579 30.694 -3.368
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -9.295 7.726 -19.318
2 HA2 GLY 1 1HA GLY 1 -9.977 10.010 -21.019
3 HA3 GLY 1 2HA GLY 1 -10.005 8.413 -21.751
4 H SER 2 H SER 2 -11.647 6.981 -21.247
5 HA SER 2 HA SER 2 -14.040 8.225 -20.179
6 HB2 SER 2 1HB SER 2 -15.128 6.074 -20.908
7 HB3 SER 2 2HB SER 2 -14.323 6.959 -22.204
8 HG SER 2 HG SER 2 -13.657 4.883 -22.417
9 H SER 3 H SER 3 -15.192 7.537 -18.396
10 HA SER 3 HA SER 3 -13.671 5.875 -16.509
11 HB2 SER 3 1HB SER 3 -15.566 8.162 -16.186
12 HB3 SER 3 2HB SER 3 -15.474 6.963 -14.896
13 HG SER 3 HG SER 3 -13.954 8.925 -14.985
14 H GLY 4 H GLY 4 -14.316 3.818 -17.002
15 HA2 GLY 4 1HA GLY 4 -17.158 3.231 -16.485
16 HA3 GLY 4 2HA GLY 4 -16.356 2.540 -17.887
17 H SER 5 H SER 5 -17.345 0.649 -16.516
18 HA SER 5 HA SER 5 -16.389 -0.325 -14.184
19 HB2 SER 5 1HB SER 5 -17.136 -1.683 -16.745
20 HB3 SER 5 2HB SER 5 -16.455 -2.647 -15.435
21 HG SER 5 HG SER 5 -18.930 -1.983 -15.682
22 H SER 6 H SER 6 -14.662 -1.653 -13.514
23 HA SER 6 HA SER 6 -12.331 -1.730 -15.300
24 HB2 SER 6 1HB SER 6 -11.834 0.139 -13.926
25 HB3 SER 6 2HB SER 6 -12.434 -0.668 -12.477
26 HG SER 6 HG SER 6 -10.506 -1.424 -12.198
27 H GLY 7 H GLY 7 -11.307 -3.637 -15.334
28 HA2 GLY 7 1HA GLY 7 -12.370 -5.820 -13.794
29 HA3 GLY 7 2HA GLY 7 -11.076 -5.911 -14.980
30 H THR 8 H THR 8 -11.541 -4.286 -11.838
31 HA THR 8 HA THR 8 -8.985 -5.475 -10.973
32 HB THR 8 HB THR 8 -10.029 -2.779 -10.095
33 HG1 THR 8 HG1 THR 8 -9.272 -3.094 -12.411
34 HG21 THR 8 3HG2 THR 8 -8.446 -4.124 -8.609
35 HG22 THR 8 1HG2 THR 8 -7.952 -2.483 -9.024
36 HG23 THR 8 2HG2 THR 8 -7.231 -3.859 -9.860
37 H GLY 9 H GLY 9 -8.838 -6.207 -8.860
38 HA2 GLY 9 1HA GLY 9 -11.341 -6.949 -7.643
39 HA3 GLY 9 2HA GLY 9 -9.734 -7.372 -7.070
40 H GLU 10 H GLU 10 -10.481 -6.932 -4.926
41 HA GLU 10 HA GLU 10 -10.081 -4.158 -4.194
42 HB2 GLU 10 1HB GLU 10 -12.706 -5.558 -3.919
43 HB3 GLU 10 2HB GLU 10 -12.212 -4.436 -2.659
44 HG2 GLU 10 1HG GLU 10 -11.783 -2.818 -4.653
45 HG3 GLU 10 2HG GLU 10 -12.874 -3.903 -5.514
46 H LYS 11 H LYS 11 -8.588 -4.286 -2.667
47 HA LYS 11 HA LYS 11 -8.636 -6.564 -0.810
48 HB2 LYS 11 1HB LYS 11 -6.419 -4.699 -1.653
49 HB3 LYS 11 2HB LYS 11 -6.262 -5.820 -0.307
50 HG2 LYS 11 1HG LYS 11 -6.964 -6.690 -3.097
51 HG3 LYS 11 2HG LYS 11 -5.308 -6.598 -2.494
52 HD2 LYS 11 1HD LYS 11 -5.627 -8.328 -0.982
53 HD3 LYS 11 2HD LYS 11 -7.381 -8.128 -0.971
54 HE2 LYS 11 1HE LYS 11 -7.093 -10.068 -2.207
55 HE3 LYS 11 2HE LYS 11 -7.241 -8.831 -3.454
56 HZ1 LYS 11 3HZ LYS 11 -4.837 -8.782 -3.648
57 HZ2 LYS 11 1HZ LYS 11 -5.417 -10.349 -3.913
58 HZ3 LYS 11 2HZ LYS 11 -4.686 -9.956 -2.439
59 HA PRO 12 HA PRO 12 -9.769 -3.991 2.569
60 HB2 PRO 12 1HB PRO 12 -8.595 -5.341 4.611
61 HB3 PRO 12 2HB PRO 12 -10.038 -5.928 3.776
62 HG2 PRO 12 1HG PRO 12 -7.175 -6.718 3.394
63 HG3 PRO 12 2HG PRO 12 -8.620 -7.744 3.461
64 HD2 PRO 12 1HD PRO 12 -7.439 -7.040 1.128
65 HD3 PRO 12 2HD PRO 12 -9.189 -7.301 1.272
66 H TYR 13 H TYR 13 -6.544 -4.406 1.586
67 HA TYR 13 HA TYR 13 -5.650 -2.279 3.420
68 HB2 TYR 13 1HB TYR 13 -3.787 -4.164 1.995
69 HB3 TYR 13 2HB TYR 13 -3.473 -3.177 3.418
70 HD1 TYR 13 HD2 TYR 13 -5.073 -3.758 5.483
71 HD2 TYR 13 HD1 TYR 13 -4.093 -6.425 2.316
72 HE1 TYR 13 HE2 TYR 13 -5.614 -5.670 6.933
73 HE2 TYR 13 HE1 TYR 13 -4.632 -8.344 3.757
74 HH TYR 13 HH TYR 13 -6.321 -8.059 6.640
75 H GLU 14 H GLU 14 -5.318 -0.377 2.498
76 HA GLU 14 HA GLU 14 -4.115 -0.203 -0.136
77 HB2 GLU 14 1HB GLU 14 -6.918 0.676 0.465
78 HB3 GLU 14 2HB GLU 14 -5.963 1.541 -0.731
79 HG2 GLU 14 1HG GLU 14 -5.729 -0.427 -2.066
80 HG3 GLU 14 2HG GLU 14 -6.477 -1.420 -0.817
81 H CYS 15 H CYS 15 -2.749 1.470 -0.256
82 HA CYS 15 HA CYS 15 -2.060 2.997 1.958
83 HB2 CYS 15 1HB CYS 15 -0.847 2.548 -0.353
84 HB3 CYS 15 2HB CYS 15 -1.563 4.101 -0.772
85 H ASN 16 H ASN 16 -1.907 5.563 1.621
86 HA ASN 16 HA ASN 16 -4.636 6.511 1.043
87 HB2 ASN 16 1HB ASN 16 -2.844 7.137 3.381
88 HB3 ASN 16 2HB ASN 16 -4.148 8.221 2.907
89 HD21 ASN 16 1HD2 ASN 16 -3.588 6.354 5.252
90 HD22 ASN 16 2HD2 ASN 16 -5.067 5.481 5.436
91 H GLU 17 H GLU 17 -1.233 6.995 0.754
92 HA GLU 17 HA GLU 17 -1.552 9.684 -0.330
93 HB2 GLU 17 1HB GLU 17 0.369 8.852 1.228
94 HB3 GLU 17 2HB GLU 17 1.047 8.192 -0.253
95 HG2 GLU 17 1HG GLU 17 0.199 11.035 -0.253
96 HG3 GLU 17 2HG GLU 17 1.670 10.601 0.617
97 H CYS 18 H CYS 18 -0.281 6.524 -1.357
98 HA CYS 18 HA CYS 18 -0.372 7.429 -4.144
99 HB2 CYS 18 1HB CYS 18 1.113 5.666 -4.673
100 HB3 CYS 18 2HB CYS 18 1.702 6.326 -3.150
101 H GLN 19 H GLN 19 -2.194 5.704 -1.915
102 HA GLN 19 HA GLN 19 -4.027 4.364 -2.057
103 HB2 GLN 19 1HB GLN 19 -4.060 5.917 -4.593
104 HB3 GLN 19 2HB GLN 19 -5.146 4.539 -4.477
105 HG2 GLN 19 1HG GLN 19 -6.109 6.766 -3.823
106 HG3 GLN 19 2HG GLN 19 -6.296 5.466 -2.646
107 HE21 GLN 19 1HE2 GLN 19 -6.555 6.909 -0.949
108 HE22 GLN 19 2HE2 GLN 19 -5.237 7.821 -0.303
109 H LYS 20 H LYS 20 -1.861 2.879 -2.203
110 HA LYS 20 HA LYS 20 -2.221 1.079 -4.504
111 HB2 LYS 20 1HB LYS 20 0.045 2.001 -4.251
112 HB3 LYS 20 2HB LYS 20 0.133 1.342 -2.624
113 HG2 LYS 20 1HG LYS 20 0.022 -0.912 -3.494
114 HG3 LYS 20 2HG LYS 20 -0.171 -0.292 -5.136
115 HD2 LYS 20 1HD LYS 20 2.215 0.355 -3.420
116 HD3 LYS 20 2HD LYS 20 2.159 -1.051 -4.486
117 HE2 LYS 20 1HE LYS 20 2.202 0.225 -6.393
118 HE3 LYS 20 2HE LYS 20 1.467 1.620 -5.605
119 HZ1 LYS 20 3HZ LYS 20 3.825 1.954 -6.150
120 HZ2 LYS 20 1HZ LYS 20 4.240 0.679 -5.119
121 HZ3 LYS 20 2HZ LYS 20 3.527 2.077 -4.489
122 H ALA 21 H ALA 21 -2.990 -0.916 -4.193
123 HA ALA 21 HA ALA 21 -3.815 -1.706 -1.544
124 HB1 ALA 21 3HB ALA 21 -5.316 -2.088 -3.402
125 HB2 ALA 21 1HB ALA 21 -4.109 -3.093 -4.206
126 HB3 ALA 21 2HB ALA 21 -4.840 -3.631 -2.693
127 H PHE 22 H PHE 22 -3.173 -3.564 -0.431
128 HA PHE 22 HA PHE 22 -0.747 -4.900 -1.415
129 HB2 PHE 22 1HB PHE 22 -1.188 -3.724 1.332
130 HB3 PHE 22 2HB PHE 22 0.086 -4.885 0.974
131 HD1 PHE 22 HD2 PHE 22 -1.244 -1.621 -0.239
132 HD2 PHE 22 HD1 PHE 22 2.162 -4.096 0.382
133 HE1 PHE 22 HE2 PHE 22 0.220 0.219 -0.961
134 HE2 PHE 22 HE1 PHE 22 3.632 -2.259 -0.339
135 HZ PHE 22 HZ PHE 22 2.662 -0.099 -1.013
136 H ASN 23 H ASN 23 -0.381 -7.015 -0.554
137 HA ASN 23 HA ASN 23 -2.751 -8.544 -0.291
138 HB2 ASN 23 1HB ASN 23 -1.254 -10.455 0.027
139 HB3 ASN 23 2HB ASN 23 -0.691 -9.443 -1.300
140 HD21 ASN 23 1HD2 ASN 23 0.492 -11.301 0.911
141 HD22 ASN 23 2HD2 ASN 23 1.892 -10.425 1.419
142 H THR 24 H THR 24 -0.181 -7.719 2.026
143 HA THR 24 HA THR 24 -2.042 -8.428 4.200
144 HB THR 24 HB THR 24 -0.046 -8.861 5.610
145 HG1 THR 24 HG1 THR 24 1.232 -8.074 3.250
146 HG21 THR 24 3HG2 THR 24 0.573 -11.002 4.572
147 HG22 THR 24 1HG2 THR 24 -0.177 -10.483 3.064
148 HG23 THR 24 2HG2 THR 24 -1.167 -10.725 4.504
149 H LYS 25 H LYS 25 -2.083 -7.098 6.041
150 HA LYS 25 HA LYS 25 -1.864 -4.342 5.561
151 HB2 LYS 25 1HB LYS 25 -3.388 -5.352 7.230
152 HB3 LYS 25 2HB LYS 25 -1.999 -5.765 8.227
153 HG2 LYS 25 1HG LYS 25 -2.825 -3.821 9.192
154 HG3 LYS 25 2HG LYS 25 -1.476 -3.258 8.202
155 HD2 LYS 25 1HD LYS 25 -3.063 -1.742 7.572
156 HD3 LYS 25 2HD LYS 25 -3.389 -3.009 6.387
157 HE2 LYS 25 1HE LYS 25 -5.275 -3.766 7.549
158 HE3 LYS 25 2HE LYS 25 -4.801 -2.941 9.033
159 HZ1 LYS 25 3HZ LYS 25 -6.201 -1.356 8.382
160 HZ2 LYS 25 1HZ LYS 25 -6.315 -1.960 6.806
161 HZ3 LYS 25 2HZ LYS 25 -5.044 -0.927 7.225
162 H SER 26 H SER 26 0.165 -6.495 7.541
163 HA SER 26 HA SER 26 1.967 -4.846 8.650
164 HB2 SER 26 1HB SER 26 2.769 -7.329 7.116
165 HB3 SER 26 2HB SER 26 3.645 -6.592 8.458
166 HG SER 26 HG SER 26 2.215 -8.452 8.938
167 H ASN 27 H ASN 27 2.277 -6.036 5.302
168 HA ASN 27 HA ASN 27 4.532 -4.576 4.592
169 HB2 ASN 27 1HB ASN 27 3.112 -6.410 3.310
170 HB3 ASN 27 2HB ASN 27 2.383 -4.993 2.561
171 HD21 ASN 27 1HD2 ASN 27 5.669 -5.926 3.531
172 HD22 ASN 27 2HD2 ASN 27 6.402 -5.564 2.009
173 H LEU 28 H LEU 28 1.106 -3.708 4.177
174 HA LEU 28 HA LEU 28 1.460 -1.239 2.954
175 HB2 LEU 28 1HB LEU 28 -0.716 -2.085 2.994
176 HB3 LEU 28 2HB LEU 28 -0.678 -2.349 4.736
177 HG LEU 28 HG LEU 28 -0.713 0.138 5.028
178 HD11 LEU 28 1HD1 LEU 28 -1.805 1.159 2.804
179 HD12 LEU 28 2HD1 LEU 28 -0.711 -0.020 2.081
180 HD13 LEU 28 3HD1 LEU 28 -0.078 1.227 3.155
181 HD21 LEU 28 3HD2 LEU 28 -3.119 -0.636 3.447
182 HD22 LEU 28 1HD2 LEU 28 -3.006 0.216 4.987
183 HD23 LEU 28 2HD2 LEU 28 -2.735 -1.526 4.922
184 H MET 29 H MET 29 0.833 -1.807 6.424
185 HA MET 29 HA MET 29 1.068 0.670 7.453
186 HB2 MET 29 1HB MET 29 2.405 -1.784 8.607
187 HB3 MET 29 2HB MET 29 1.994 -0.325 9.498
188 HG2 MET 29 1HG MET 29 -0.176 -1.741 8.051
189 HG3 MET 29 2HG MET 29 0.455 -2.463 9.530
190 HE1 MET 29 3HE MET 29 -2.169 1.146 8.953
191 HE2 MET 29 1HE MET 29 -0.480 1.580 8.689
192 HE3 MET 29 2HE MET 29 -1.213 0.279 7.750
193 H VAL 30 H VAL 30 3.850 -1.449 6.773
194 HA VAL 30 HA VAL 30 5.808 0.481 7.457
195 HB VAL 30 HB VAL 30 6.060 -1.946 5.675
196 HG11 VAL 30 1HG1 VAL 30 7.826 -0.055 5.552
197 HG12 VAL 30 2HG1 VAL 30 8.324 -0.646 7.138
198 HG13 VAL 30 3HG1 VAL 30 8.366 -1.723 5.741
199 HG21 VAL 30 3HG2 VAL 30 6.094 -1.540 8.607
200 HG22 VAL 30 1HG2 VAL 30 5.571 -2.932 7.659
201 HG23 VAL 30 2HG2 VAL 30 7.290 -2.651 7.940
202 H HIS 31 H HIS 31 4.297 -0.453 4.403
203 HA HIS 31 HA HIS 31 5.924 1.072 2.694
204 HB2 HIS 31 1HB HIS 31 4.597 -0.523 1.616
205 HB3 HIS 31 2HB HIS 31 3.140 -0.033 2.475
206 HD1 HIS 31 HD1 HIS 31 5.312 0.922 -0.429
207 HD2 HIS 31 HD2 HIS 31 1.706 2.042 1.303
208 HE1 HIS 31 HE1 HIS 31 4.216 2.458 -2.092
209 H GLN 32 H GLN 32 3.636 2.036 4.998
210 HA GLN 32 HA GLN 32 2.815 4.471 3.711
211 HB2 GLN 32 1HB GLN 32 2.539 3.505 6.560
212 HB3 GLN 32 2HB GLN 32 1.853 5.008 5.960
213 HG2 GLN 32 1HG GLN 32 0.614 3.623 4.257
214 HG3 GLN 32 2HG GLN 32 1.137 2.204 5.163
215 HE21 GLN 32 1HE2 GLN 32 -1.493 3.753 4.646
216 HE22 GLN 32 2HE2 GLN 32 -2.219 3.810 6.213
217 H ARG 33 H ARG 33 4.700 3.860 6.682
218 HA ARG 33 HA ARG 33 5.659 6.469 6.967
219 HB2 ARG 33 1HB ARG 33 7.423 5.435 8.403
220 HB3 ARG 33 2HB ARG 33 5.786 4.941 8.811
221 HG2 ARG 33 1HG ARG 33 6.242 2.898 7.332
222 HG3 ARG 33 2HG ARG 33 7.940 3.362 7.459
223 HD2 ARG 33 1HD ARG 33 6.313 3.172 9.946
224 HD3 ARG 33 2HD ARG 33 6.849 1.683 9.169
225 HE ARG 33 HE ARG 33 9.131 3.063 9.311
226 HH11 ARG 33 1HH1 ARG 33 6.656 2.464 11.685
227 HH12 ARG 33 2HH1 ARG 33 7.748 2.520 13.028
228 HH21 ARG 33 1HH2 ARG 33 10.579 3.140 11.072
229 HH22 ARG 33 2HH2 ARG 33 9.979 2.906 12.679
230 H THR 34 H THR 34 6.964 3.709 5.203
231 HA THR 34 HA THR 34 9.502 4.565 4.603
232 HB THR 34 HB THR 34 9.199 3.348 2.387
233 HG1 THR 34 HG1 THR 34 7.261 2.423 1.973
234 HG21 THR 34 3HG2 THR 34 10.126 2.105 4.159
235 HG22 THR 34 1HG2 THR 34 8.792 1.117 3.565
236 HG23 THR 34 2HG2 THR 34 8.599 2.064 5.040
237 H HIS 35 H HIS 35 6.515 5.348 2.837
238 HA HIS 35 HA HIS 35 7.303 6.731 0.700
239 HB2 HIS 35 1HB HIS 35 5.133 7.236 2.672
240 HB3 HIS 35 2HB HIS 35 5.464 8.503 1.494
241 HD1 HIS 35 HD1 HIS 35 5.846 7.084 -1.069
242 HD2 HIS 35 HD2 HIS 35 3.043 5.823 1.726
243 HE1 HIS 35 HE1 HIS 35 4.165 5.734 -2.364
244 H THR 36 H THR 36 7.048 8.319 3.887
245 HA THR 36 HA THR 36 8.214 10.740 3.163
246 HB THR 36 HB THR 36 8.776 10.986 5.601
247 HG1 THR 36 HG1 THR 36 9.092 9.031 6.446
248 HG21 THR 36 3HG2 THR 36 6.225 10.456 6.254
249 HG22 THR 36 1HG2 THR 36 6.094 10.398 4.497
250 HG23 THR 36 2HG2 THR 36 6.701 11.853 5.289
251 H GLY 37 H GLY 37 9.762 7.908 4.687
252 HA2 GLY 37 1HA GLY 37 11.953 7.312 3.592
253 HA3 GLY 37 2HA GLY 37 12.364 9.005 3.817
254 H GLU 38 H GLU 38 14.008 7.055 4.811
255 HA GLU 38 HA GLU 38 13.625 6.078 7.339
256 HB2 GLU 38 1HB GLU 38 15.627 5.560 6.104
257 HB3 GLU 38 2HB GLU 38 16.134 7.242 6.128
258 HG2 GLU 38 1HG GLU 38 16.269 7.069 8.623
259 HG3 GLU 38 2HG GLU 38 15.998 5.336 8.447
260 H SER 39 H SER 39 12.601 7.241 8.870
261 HA SER 39 HA SER 39 12.946 10.008 9.308
262 HB2 SER 39 1HB SER 39 11.765 7.791 10.974
263 HB3 SER 39 2HB SER 39 11.846 9.451 11.565
264 HG SER 39 HG SER 39 10.606 10.087 9.776
265 H GLY 40 H GLY 40 14.442 11.117 10.397
266 HA2 GLY 40 1HA GLY 40 16.163 9.653 12.294
267 HA3 GLY 40 2HA GLY 40 16.870 10.685 11.059
268 HA PRO 41 HA PRO 41 15.678 13.018 15.058
269 HB2 PRO 41 1HB PRO 41 18.117 13.119 16.246
270 HB3 PRO 41 2HB PRO 41 16.949 11.830 16.559
271 HG2 PRO 41 1HG PRO 41 19.329 11.828 14.744
272 HG3 PRO 41 2HG PRO 41 18.768 10.565 15.854
273 HD2 PRO 41 1HD PRO 41 18.295 10.477 13.189
274 HD3 PRO 41 2HD PRO 41 17.164 9.807 14.383
275 H SER 42 H SER 42 15.538 15.093 14.507
276 HA SER 42 HA SER 42 17.006 16.393 12.561
277 HB2 SER 42 1HB SER 42 15.643 17.629 14.967
278 HB3 SER 42 2HB SER 42 16.124 18.494 13.507
279 HG SER 42 HG SER 42 14.220 17.950 12.812
280 H SER 43 H SER 43 18.914 17.421 12.468
281 HA SER 43 HA SER 43 20.321 18.101 14.935
282 HB2 SER 43 1HB SER 43 22.376 16.980 14.220
283 HB3 SER 43 2HB SER 43 21.062 15.813 14.361
284 HG SER 43 HG SER 43 20.856 16.492 11.940
285 H GLY 44 H GLY 44 21.402 19.975 14.783
286 HA2 GLY 44 1HA GLY 44 21.180 21.529 12.393
287 HA3 GLY 44 2HA GLY 44 21.993 22.010 13.875
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -14.412 13.294 -18.904
2 HA2 GLY 1 1HA GLY 1 -15.964 12.704 -17.103
3 HA3 GLY 1 2HA GLY 1 -17.270 12.905 -18.262
4 H SER 2 H SER 2 -14.711 10.826 -17.145
5 HA SER 2 HA SER 2 -15.702 8.691 -18.918
6 HB2 SER 2 1HB SER 2 -13.541 7.635 -18.735
7 HB3 SER 2 2HB SER 2 -13.287 9.326 -19.168
8 HG SER 2 HG SER 2 -12.559 7.964 -16.903
9 H SER 3 H SER 3 -15.141 6.438 -17.840
10 HA SER 3 HA SER 3 -15.831 6.470 -14.995
11 HB2 SER 3 1HB SER 3 -17.979 6.254 -16.083
12 HB3 SER 3 2HB SER 3 -17.368 4.972 -17.128
13 HG SER 3 HG SER 3 -17.424 3.580 -15.489
14 H GLY 4 H GLY 4 -15.305 4.537 -13.868
15 HA2 GLY 4 1HA GLY 4 -13.498 2.740 -15.365
16 HA3 GLY 4 2HA GLY 4 -13.108 3.336 -13.758
17 H SER 5 H SER 5 -16.172 2.091 -15.050
18 HA SER 5 HA SER 5 -16.953 0.697 -12.815
19 HB2 SER 5 1HB SER 5 -17.510 0.185 -15.736
20 HB3 SER 5 2HB SER 5 -18.271 -0.758 -14.453
21 HG SER 5 HG SER 5 -19.672 0.818 -14.500
22 H SER 6 H SER 6 -15.194 -0.617 -15.619
23 HA SER 6 HA SER 6 -14.823 -3.179 -14.409
24 HB2 SER 6 1HB SER 6 -14.884 -2.975 -16.834
25 HB3 SER 6 2HB SER 6 -13.482 -1.906 -16.807
26 HG SER 6 HG SER 6 -12.678 -3.894 -17.246
27 H GLY 7 H GLY 7 -12.711 -4.133 -13.931
28 HA2 GLY 7 1HA GLY 7 -10.343 -2.704 -13.600
29 HA3 GLY 7 2HA GLY 7 -11.245 -2.547 -12.100
30 H THR 8 H THR 8 -9.847 -3.731 -10.842
31 HA THR 8 HA THR 8 -9.802 -6.619 -11.410
32 HB THR 8 HB THR 8 -7.529 -6.744 -10.427
33 HG1 THR 8 HG1 THR 8 -7.774 -4.623 -9.334
34 HG21 THR 8 3HG2 THR 8 -8.217 -5.481 -12.971
35 HG22 THR 8 1HG2 THR 8 -7.096 -6.798 -12.629
36 HG23 THR 8 2HG2 THR 8 -6.577 -5.124 -12.430
37 H GLY 9 H GLY 9 -9.320 -7.934 -9.440
38 HA2 GLY 9 1HA GLY 9 -11.145 -7.636 -7.451
39 HA3 GLY 9 2HA GLY 9 -9.613 -8.465 -7.212
40 H GLU 10 H GLU 10 -11.329 -6.661 -5.484
41 HA GLU 10 HA GLU 10 -9.478 -4.457 -4.984
42 HB2 GLU 10 1HB GLU 10 -11.209 -3.681 -3.382
43 HB3 GLU 10 2HB GLU 10 -11.814 -3.857 -5.024
44 HG2 GLU 10 1HG GLU 10 -12.995 -5.819 -4.492
45 HG3 GLU 10 2HG GLU 10 -12.148 -6.005 -2.957
46 H LYS 11 H LYS 11 -8.516 -4.096 -2.956
47 HA LYS 11 HA LYS 11 -8.283 -6.517 -1.291
48 HB2 LYS 11 1HB LYS 11 -6.250 -4.324 -1.743
49 HB3 LYS 11 2HB LYS 11 -6.032 -5.710 -0.682
50 HG2 LYS 11 1HG LYS 11 -6.529 -5.943 -3.639
51 HG3 LYS 11 2HG LYS 11 -4.921 -5.887 -2.914
52 HD2 LYS 11 1HD LYS 11 -6.877 -7.862 -1.853
53 HD3 LYS 11 2HD LYS 11 -6.137 -8.181 -3.424
54 HE2 LYS 11 1HE LYS 11 -3.920 -7.981 -2.429
55 HE3 LYS 11 2HE LYS 11 -4.643 -7.615 -0.863
56 HZ1 LYS 11 3HZ LYS 11 -5.174 -9.761 -0.506
57 HZ2 LYS 11 1HZ LYS 11 -3.910 -10.054 -1.591
58 HZ3 LYS 11 2HZ LYS 11 -5.512 -10.082 -2.132
59 HA PRO 12 HA PRO 12 -9.907 -4.262 2.118
60 HB2 PRO 12 1HB PRO 12 -8.763 -5.636 4.161
61 HB3 PRO 12 2HB PRO 12 -10.088 -6.287 3.187
62 HG2 PRO 12 1HG PRO 12 -7.148 -6.809 2.977
63 HG3 PRO 12 2HG PRO 12 -8.497 -7.955 2.875
64 HD2 PRO 12 1HD PRO 12 -7.223 -7.007 0.682
65 HD3 PRO 12 2HD PRO 12 -8.950 -7.421 0.679
66 H TYR 13 H TYR 13 -6.592 -4.352 1.366
67 HA TYR 13 HA TYR 13 -6.032 -2.252 3.358
68 HB2 TYR 13 1HB TYR 13 -3.966 -4.029 2.059
69 HB3 TYR 13 2HB TYR 13 -3.749 -2.953 3.435
70 HD1 TYR 13 HD2 TYR 13 -4.773 -3.542 5.630
71 HD2 TYR 13 HD1 TYR 13 -4.786 -6.244 2.343
72 HE1 TYR 13 HE2 TYR 13 -5.266 -5.398 7.165
73 HE2 TYR 13 HE1 TYR 13 -5.281 -8.108 3.869
74 HH TYR 13 HH TYR 13 -4.828 -8.053 7.045
75 H GLU 14 H GLU 14 -5.867 -0.301 2.497
76 HA GLU 14 HA GLU 14 -4.612 -0.017 -0.145
77 HB2 GLU 14 1HB GLU 14 -7.288 0.947 0.742
78 HB3 GLU 14 2HB GLU 14 -6.347 1.993 -0.313
79 HG2 GLU 14 1HG GLU 14 -6.245 0.290 -2.001
80 HG3 GLU 14 2HG GLU 14 -7.028 -0.872 -0.931
81 H CYS 15 H CYS 15 -3.223 1.665 -0.354
82 HA CYS 15 HA CYS 15 -2.311 2.957 2.019
83 HB2 CYS 15 1HB CYS 15 -1.030 2.280 -0.185
84 HB3 CYS 15 2HB CYS 15 -1.502 3.895 -0.703
85 H ASN 16 H ASN 16 -2.449 5.098 2.627
86 HA ASN 16 HA ASN 16 -4.643 6.593 1.386
87 HB2 ASN 16 1HB ASN 16 -4.924 7.721 3.438
88 HB3 ASN 16 2HB ASN 16 -4.576 6.056 3.894
89 HD21 ASN 16 1HD2 ASN 16 -4.070 8.974 4.931
90 HD22 ASN 16 2HD2 ASN 16 -2.460 8.863 5.548
91 H GLU 17 H GLU 17 -1.739 6.403 0.489
92 HA GLU 17 HA GLU 17 -1.283 9.307 0.320
93 HB2 GLU 17 1HB GLU 17 0.729 7.115 0.793
94 HB3 GLU 17 2HB GLU 17 1.195 8.694 0.177
95 HG2 GLU 17 1HG GLU 17 0.482 9.778 2.158
96 HG3 GLU 17 2HG GLU 17 -0.317 8.320 2.744
97 H CYS 18 H CYS 18 -0.330 6.198 -1.146
98 HA CYS 18 HA CYS 18 -0.211 7.528 -3.759
99 HB2 CYS 18 1HB CYS 18 1.045 5.577 -4.515
100 HB3 CYS 18 2HB CYS 18 1.782 6.254 -3.066
101 H GLN 19 H GLN 19 -2.282 5.687 -1.898
102 HA GLN 19 HA GLN 19 -4.255 4.637 -2.320
103 HB2 GLN 19 1HB GLN 19 -3.900 5.839 -5.071
104 HB3 GLN 19 2HB GLN 19 -5.378 5.093 -4.478
105 HG2 GLN 19 1HG GLN 19 -4.064 7.595 -3.450
106 HG3 GLN 19 2HG GLN 19 -5.592 7.466 -4.321
107 HE21 GLN 19 1HE2 GLN 19 -4.811 8.479 -1.597
108 HE22 GLN 19 2HE2 GLN 19 -5.900 7.686 -0.516
109 H LYS 20 H LYS 20 -2.074 3.027 -2.373
110 HA LYS 20 HA LYS 20 -2.347 1.323 -4.742
111 HB2 LYS 20 1HB LYS 20 -0.240 1.712 -2.672
112 HB3 LYS 20 2HB LYS 20 -0.374 0.124 -3.417
113 HG2 LYS 20 1HG LYS 20 -0.006 1.050 -5.597
114 HG3 LYS 20 2HG LYS 20 -0.058 2.693 -4.954
115 HD2 LYS 20 1HD LYS 20 2.210 2.358 -5.083
116 HD3 LYS 20 2HD LYS 20 1.896 1.820 -3.432
117 HE2 LYS 20 1HE LYS 20 2.071 -0.433 -4.006
118 HE3 LYS 20 2HE LYS 20 1.823 -0.112 -5.722
119 HZ1 LYS 20 3HZ LYS 20 4.046 -0.366 -5.770
120 HZ2 LYS 20 1HZ LYS 20 4.256 0.038 -4.140
121 HZ3 LYS 20 2HZ LYS 20 4.054 1.258 -5.294
122 H ALA 21 H ALA 21 -1.932 -1.128 -4.059
123 HA ALA 21 HA ALA 21 -3.728 -1.764 -1.815
124 HB1 ALA 21 3HB ALA 21 -4.912 -3.363 -3.066
125 HB2 ALA 21 1HB ALA 21 -4.806 -1.947 -4.112
126 HB3 ALA 21 2HB ALA 21 -3.739 -3.325 -4.382
127 H PHE 22 H PHE 22 -3.168 -3.497 -0.572
128 HA PHE 22 HA PHE 22 -0.829 -5.073 -1.400
129 HB2 PHE 22 1HB PHE 22 -1.263 -3.871 1.342
130 HB3 PHE 22 2HB PHE 22 0.052 -4.955 0.899
131 HD1 PHE 22 HD2 PHE 22 -1.422 -1.634 0.166
132 HD2 PHE 22 HD1 PHE 22 2.026 -4.123 -0.023
133 HE1 PHE 22 HE2 PHE 22 -0.067 0.301 -0.523
134 HE2 PHE 22 HE1 PHE 22 3.387 -2.192 -0.711
135 HZ PHE 22 HZ PHE 22 2.340 0.023 -0.963
136 H ASN 23 H ASN 23 -0.557 -7.056 -0.013
137 HA ASN 23 HA ASN 23 -3.133 -8.368 0.210
138 HB2 ASN 23 1HB ASN 23 -0.576 -9.751 0.895
139 HB3 ASN 23 2HB ASN 23 -1.994 -10.370 0.053
140 HD21 ASN 23 1HD2 ASN 23 1.138 -9.366 -0.295
141 HD22 ASN 23 2HD2 ASN 23 1.152 -9.087 -2.000
142 H THR 24 H THR 24 -0.300 -7.851 2.304
143 HA THR 24 HA THR 24 -1.964 -8.504 4.634
144 HB THR 24 HB THR 24 0.102 -8.752 5.891
145 HG1 THR 24 HG1 THR 24 2.094 -8.382 4.923
146 HG21 THR 24 3HG2 THR 24 -0.746 -10.652 4.509
147 HG22 THR 24 1HG2 THR 24 0.990 -10.708 4.814
148 HG23 THR 24 2HG2 THR 24 0.386 -10.175 3.245
149 H LYS 25 H LYS 25 -1.691 -7.183 6.583
150 HA LYS 25 HA LYS 25 -1.897 -4.389 5.952
151 HB2 LYS 25 1HB LYS 25 -3.307 -5.550 7.666
152 HB3 LYS 25 2HB LYS 25 -1.874 -5.704 8.674
153 HG2 LYS 25 1HG LYS 25 -1.777 -3.085 8.287
154 HG3 LYS 25 2HG LYS 25 -3.510 -3.314 8.047
155 HD2 LYS 25 1HD LYS 25 -2.198 -4.571 10.412
156 HD3 LYS 25 2HD LYS 25 -2.531 -2.838 10.439
157 HE2 LYS 25 1HE LYS 25 -4.895 -3.323 9.906
158 HE3 LYS 25 2HE LYS 25 -4.535 -5.047 9.986
159 HZ1 LYS 25 3HZ LYS 25 -4.171 -4.944 12.262
160 HZ2 LYS 25 1HZ LYS 25 -5.502 -3.923 12.046
161 HZ3 LYS 25 2HZ LYS 25 -3.959 -3.266 12.268
162 H SER 26 H SER 26 0.372 -6.416 7.772
163 HA SER 26 HA SER 26 2.032 -4.523 8.854
164 HB2 SER 26 1HB SER 26 2.454 -6.801 9.378
165 HB3 SER 26 2HB SER 26 2.666 -7.230 7.681
166 HG SER 26 HG SER 26 4.370 -5.476 9.122
167 H ASN 27 H ASN 27 2.498 -6.053 5.664
168 HA ASN 27 HA ASN 27 4.657 -4.599 4.787
169 HB2 ASN 27 1HB ASN 27 2.319 -5.787 3.314
170 HB3 ASN 27 2HB ASN 27 3.593 -4.932 2.450
171 HD21 ASN 27 1HD2 ASN 27 2.666 -7.831 2.715
172 HD22 ASN 27 2HD2 ASN 27 4.136 -8.701 2.975
173 H LEU 28 H LEU 28 1.222 -3.766 4.369
174 HA LEU 28 HA LEU 28 1.582 -1.366 2.996
175 HB2 LEU 28 1HB LEU 28 -0.585 -2.266 3.057
176 HB3 LEU 28 2HB LEU 28 -0.583 -2.364 4.817
177 HG LEU 28 HG LEU 28 -0.642 0.138 4.872
178 HD11 LEU 28 1HD1 LEU 28 -0.780 1.423 3.012
179 HD12 LEU 28 2HD1 LEU 28 -1.605 0.179 2.075
180 HD13 LEU 28 3HD1 LEU 28 0.138 0.084 2.323
181 HD21 LEU 28 3HD2 LEU 28 -2.662 -1.645 4.702
182 HD22 LEU 28 1HD2 LEU 28 -3.038 -0.600 3.331
183 HD23 LEU 28 2HD2 LEU 28 -2.892 0.087 4.949
184 H MET 29 H MET 29 1.137 -1.887 6.493
185 HA MET 29 HA MET 29 1.233 0.668 7.429
186 HB2 MET 29 1HB MET 29 2.359 -1.884 8.539
187 HB3 MET 29 2HB MET 29 2.556 -0.369 9.409
188 HG2 MET 29 1HG MET 29 0.044 -0.116 9.259
189 HG3 MET 29 2HG MET 29 0.008 -1.791 8.715
190 HE1 MET 29 3HE MET 29 1.678 -3.587 11.817
191 HE2 MET 29 1HE MET 29 0.807 -3.887 10.313
192 HE3 MET 29 2HE MET 29 2.359 -3.049 10.281
193 H VAL 30 H VAL 30 4.095 -1.389 6.876
194 HA VAL 30 HA VAL 30 5.982 0.641 7.423
195 HB VAL 30 HB VAL 30 6.326 -1.847 5.744
196 HG11 VAL 30 1HG1 VAL 30 8.281 0.120 6.894
197 HG12 VAL 30 2HG1 VAL 30 8.748 -1.534 6.494
198 HG13 VAL 30 3HG1 VAL 30 8.144 -0.458 5.234
199 HG21 VAL 30 3HG2 VAL 30 5.883 -2.822 7.733
200 HG22 VAL 30 1HG2 VAL 30 7.555 -2.382 8.082
201 HG23 VAL 30 2HG2 VAL 30 6.237 -1.358 8.651
202 H HIS 31 H HIS 31 4.367 -0.398 4.479
203 HA HIS 31 HA HIS 31 5.969 1.056 2.659
204 HB2 HIS 31 1HB HIS 31 4.642 -0.660 1.730
205 HB3 HIS 31 2HB HIS 31 3.180 -0.069 2.515
206 HD1 HIS 31 HD1 HIS 31 5.314 0.416 -0.491
207 HD2 HIS 31 HD2 HIS 31 1.925 2.103 1.219
208 HE1 HIS 31 HE1 HIS 31 4.312 1.871 -2.281
209 H GLN 32 H GLN 32 3.645 2.045 4.934
210 HA GLN 32 HA GLN 32 2.761 4.404 3.558
211 HB2 GLN 32 1HB GLN 32 2.514 3.501 6.427
212 HB3 GLN 32 2HB GLN 32 1.839 5.011 5.831
213 HG2 GLN 32 1HG GLN 32 0.635 3.551 4.097
214 HG3 GLN 32 2HG GLN 32 1.048 2.205 5.159
215 HE21 GLN 32 1HE2 GLN 32 -1.531 2.586 4.746
216 HE22 GLN 32 2HE2 GLN 32 -2.302 3.300 6.117
217 H ARG 33 H ARG 33 4.870 3.831 6.375
218 HA ARG 33 HA ARG 33 5.711 6.532 6.579
219 HB2 ARG 33 1HB ARG 33 7.389 5.693 8.142
220 HB3 ARG 33 2HB ARG 33 5.819 4.971 8.470
221 HG2 ARG 33 1HG ARG 33 6.727 3.057 6.925
222 HG3 ARG 33 2HG ARG 33 8.293 3.724 7.391
223 HD2 ARG 33 1HD ARG 33 6.242 3.149 9.485
224 HD3 ARG 33 2HD ARG 33 7.194 1.827 8.810
225 HE ARG 33 HE ARG 33 8.765 4.065 9.708
226 HH11 ARG 33 1HH1 ARG 33 7.251 1.065 10.617
227 HH12 ARG 33 2HH1 ARG 33 8.304 0.791 11.966
228 HH21 ARG 33 1HH2 ARG 33 10.157 3.716 11.481
229 HH22 ARG 33 2HH2 ARG 33 9.956 2.301 12.457
230 H THR 34 H THR 34 7.061 3.678 5.000
231 HA THR 34 HA THR 34 9.578 4.532 4.331
232 HB THR 34 HB THR 34 9.362 3.141 2.257
233 HG1 THR 34 HG1 THR 34 6.679 3.292 3.024
234 HG21 THR 34 3HG2 THR 34 8.280 1.176 3.946
235 HG22 THR 34 1HG2 THR 34 9.103 2.323 5.002
236 HG23 THR 34 2HG2 THR 34 9.984 1.547 3.686
237 H HIS 35 H HIS 35 6.524 5.387 2.789
238 HA HIS 35 HA HIS 35 7.148 6.535 0.460
239 HB2 HIS 35 1HB HIS 35 5.297 7.379 2.634
240 HB3 HIS 35 2HB HIS 35 5.572 8.512 1.315
241 HD1 HIS 35 HD1 HIS 35 5.578 6.725 -1.104
242 HD2 HIS 35 HD2 HIS 35 2.920 6.231 2.051
243 HE1 HIS 35 HE1 HIS 35 3.621 5.470 -2.063
244 H THR 36 H THR 36 7.798 8.013 3.615
245 HA THR 36 HA THR 36 9.132 10.276 2.389
246 HB THR 36 HB THR 36 9.578 10.982 4.740
247 HG1 THR 36 HG1 THR 36 7.834 8.977 5.645
248 HG21 THR 36 3HG2 THR 36 7.335 11.277 3.345
249 HG22 THR 36 1HG2 THR 36 7.484 11.859 5.002
250 HG23 THR 36 2HG2 THR 36 6.681 10.323 4.676
251 H GLY 37 H GLY 37 10.002 7.428 4.312
252 HA2 GLY 37 1HA GLY 37 12.044 6.245 3.898
253 HA3 GLY 37 2HA GLY 37 12.770 7.756 3.372
254 H GLU 38 H GLU 38 14.393 6.650 4.951
255 HA GLU 38 HA GLU 38 13.797 7.299 7.736
256 HB2 GLU 38 1HB GLU 38 14.984 5.133 6.815
257 HB3 GLU 38 2HB GLU 38 16.413 6.157 6.848
258 HG2 GLU 38 1HG GLU 38 16.499 5.130 8.902
259 HG3 GLU 38 2HG GLU 38 15.704 6.656 9.284
260 H SER 39 H SER 39 15.292 8.545 9.017
261 HA SER 39 HA SER 39 16.164 10.661 9.335
262 HB2 SER 39 1HB SER 39 18.098 9.079 9.211
263 HB3 SER 39 2HB SER 39 18.273 9.492 7.506
264 HG SER 39 HG SER 39 19.225 10.790 9.620
265 H GLY 40 H GLY 40 14.245 10.801 7.321
266 HA2 GLY 40 1HA GLY 40 15.360 12.192 5.044
267 HA3 GLY 40 2HA GLY 40 13.655 11.922 5.373
268 HA PRO 41 HA PRO 41 13.317 16.181 6.394
269 HB2 PRO 41 1HB PRO 41 11.059 16.095 7.899
270 HB3 PRO 41 2HB PRO 41 11.050 15.911 6.141
271 HG2 PRO 41 1HG PRO 41 10.931 13.806 8.266
272 HG3 PRO 41 2HG PRO 41 10.001 13.930 6.761
273 HD2 PRO 41 1HD PRO 41 12.150 12.302 7.016
274 HD3 PRO 41 2HD PRO 41 11.721 13.084 5.481
275 H SER 42 H SER 42 14.356 17.370 7.859
276 HA SER 42 HA SER 42 14.321 16.515 10.673
277 HB2 SER 42 1HB SER 42 16.734 17.366 9.060
278 HB3 SER 42 2HB SER 42 16.724 17.272 10.821
279 HG SER 42 HG SER 42 16.122 15.113 9.079
280 H SER 43 H SER 43 12.827 18.095 11.211
281 HA SER 43 HA SER 43 13.699 20.884 10.842
282 HB2 SER 43 1HB SER 43 11.577 20.626 9.810
283 HB3 SER 43 2HB SER 43 10.952 19.674 11.156
284 HG SER 43 HG SER 43 11.367 22.443 10.968
285 H GLY 44 H GLY 44 12.093 18.718 13.169
286 HA2 GLY 44 1HA GLY 44 13.617 19.809 15.346
287 HA3 GLY 44 2HA GLY 44 11.938 20.327 15.374
Start of MODEL 5
1 H1 GLY 1 H GLY 1 5.081 -8.832 -21.413
2 HA2 GLY 1 1HA GLY 1 3.121 -8.884 -19.364
3 HA3 GLY 1 2HA GLY 1 3.316 -10.083 -20.635
4 H SER 2 H SER 2 3.388 -9.606 -17.366
5 HA SER 2 HA SER 2 4.590 -12.211 -16.933
6 HB2 SER 2 1HB SER 2 5.652 -9.775 -15.483
7 HB3 SER 2 2HB SER 2 6.168 -11.444 -15.243
8 HG SER 2 HG SER 2 6.526 -11.169 -17.727
9 H SER 3 H SER 3 4.431 -12.805 -14.538
10 HA SER 3 HA SER 3 1.723 -12.322 -13.711
11 HB2 SER 3 1HB SER 3 3.212 -14.493 -13.491
12 HB3 SER 3 2HB SER 3 3.690 -13.749 -11.965
13 HG SER 3 HG SER 3 1.395 -15.020 -12.600
14 H GLY 4 H GLY 4 0.985 -11.155 -11.993
15 HA2 GLY 4 1HA GLY 4 3.002 -9.677 -10.422
16 HA3 GLY 4 2HA GLY 4 1.597 -8.869 -11.102
17 H SER 5 H SER 5 -0.480 -9.330 -10.245
18 HA SER 5 HA SER 5 -0.636 -10.948 -7.835
19 HB2 SER 5 1HB SER 5 0.032 -8.911 -6.809
20 HB3 SER 5 2HB SER 5 -1.023 -7.954 -7.849
21 HG SER 5 HG SER 5 -1.843 -8.302 -5.694
22 H SER 6 H SER 6 -2.705 -11.628 -7.342
23 HA SER 6 HA SER 6 -4.618 -11.398 -9.499
24 HB2 SER 6 1HB SER 6 -4.067 -13.540 -8.194
25 HB3 SER 6 2HB SER 6 -5.055 -12.864 -6.899
26 HG SER 6 HG SER 6 -6.816 -12.869 -8.268
27 H GLY 7 H GLY 7 -5.466 -9.345 -9.461
28 HA2 GLY 7 1HA GLY 7 -6.879 -8.561 -6.989
29 HA3 GLY 7 2HA GLY 7 -6.242 -7.422 -8.166
30 H THR 8 H THR 8 -8.528 -10.145 -7.955
31 HA THR 8 HA THR 8 -10.009 -9.418 -10.246
32 HB THR 8 HB THR 8 -10.965 -11.026 -7.870
33 HG1 THR 8 HG1 THR 8 -10.372 -12.738 -9.586
34 HG21 THR 8 3HG2 THR 8 -12.733 -11.749 -9.149
35 HG22 THR 8 1HG2 THR 8 -11.901 -11.438 -10.672
36 HG23 THR 8 2HG2 THR 8 -12.571 -10.097 -9.743
37 H GLY 9 H GLY 9 -10.892 -9.119 -6.795
38 HA2 GLY 9 1HA GLY 9 -12.887 -7.103 -7.541
39 HA3 GLY 9 2HA GLY 9 -12.793 -7.940 -5.998
40 H GLU 10 H GLU 10 -11.280 -7.245 -4.436
41 HA GLU 10 HA GLU 10 -9.592 -4.981 -4.910
42 HB2 GLU 10 1HB GLU 10 -12.015 -4.088 -4.663
43 HB3 GLU 10 2HB GLU 10 -11.817 -4.472 -2.958
44 HG2 GLU 10 1HG GLU 10 -9.754 -3.039 -2.985
45 HG3 GLU 10 2HG GLU 10 -10.231 -2.521 -4.601
46 H LYS 11 H LYS 11 -8.351 -4.378 -3.022
47 HA LYS 11 HA LYS 11 -8.052 -6.637 -1.186
48 HB2 LYS 11 1HB LYS 11 -6.235 -4.322 -1.862
49 HB3 LYS 11 2HB LYS 11 -5.877 -5.501 -0.608
50 HG2 LYS 11 1HG LYS 11 -6.358 -6.234 -3.484
51 HG3 LYS 11 2HG LYS 11 -4.761 -5.907 -2.808
52 HD2 LYS 11 1HD LYS 11 -5.399 -7.689 -1.047
53 HD3 LYS 11 2HD LYS 11 -6.646 -8.160 -2.205
54 HE2 LYS 11 1HE LYS 11 -3.783 -7.873 -3.046
55 HE3 LYS 11 2HE LYS 11 -4.358 -9.353 -2.282
56 HZ1 LYS 11 3HZ LYS 11 -4.740 -9.866 -4.444
57 HZ2 LYS 11 1HZ LYS 11 -4.980 -8.260 -4.919
58 HZ3 LYS 11 2HZ LYS 11 -6.211 -9.097 -4.116
59 HA PRO 12 HA PRO 12 -9.784 -4.465 2.226
60 HB2 PRO 12 1HB PRO 12 -8.519 -5.746 4.258
61 HB3 PRO 12 2HB PRO 12 -9.813 -6.490 3.312
62 HG2 PRO 12 1HG PRO 12 -6.849 -6.819 3.055
63 HG3 PRO 12 2HG PRO 12 -8.122 -8.052 2.984
64 HD2 PRO 12 1HD PRO 12 -6.949 -7.039 0.763
65 HD3 PRO 12 2HD PRO 12 -8.644 -7.566 0.792
66 H TYR 13 H TYR 13 -6.483 -4.343 1.419
67 HA TYR 13 HA TYR 13 -6.047 -2.169 3.361
68 HB2 TYR 13 1HB TYR 13 -3.834 -3.805 2.135
69 HB3 TYR 13 2HB TYR 13 -3.763 -2.757 3.547
70 HD1 TYR 13 HD2 TYR 13 -5.138 -3.476 5.605
71 HD2 TYR 13 HD1 TYR 13 -4.186 -6.096 2.391
72 HE1 TYR 13 HE2 TYR 13 -5.553 -5.410 7.067
73 HE2 TYR 13 HE1 TYR 13 -4.600 -8.037 3.844
74 HH TYR 13 HH TYR 13 -6.251 -7.918 6.645
75 H GLU 14 H GLU 14 -5.916 -0.235 2.459
76 HA GLU 14 HA GLU 14 -4.665 0.029 -0.182
77 HB2 GLU 14 1HB GLU 14 -7.402 0.909 0.632
78 HB3 GLU 14 2HB GLU 14 -6.499 1.896 -0.509
79 HG2 GLU 14 1HG GLU 14 -6.245 -0.073 -1.967
80 HG3 GLU 14 2HG GLU 14 -7.235 -1.002 -0.843
81 H CYS 15 H CYS 15 -3.066 1.448 -0.099
82 HA CYS 15 HA CYS 15 -2.414 2.977 2.136
83 HB2 CYS 15 1HB CYS 15 -1.026 2.288 0.000
84 HB3 CYS 15 2HB CYS 15 -1.538 3.869 -0.582
85 H ASN 16 H ASN 16 -1.973 5.477 1.818
86 HA ASN 16 HA ASN 16 -4.532 6.682 0.989
87 HB2 ASN 16 1HB ASN 16 -2.761 7.186 3.352
88 HB3 ASN 16 2HB ASN 16 -3.746 8.501 2.718
89 HD21 ASN 16 1HD2 ASN 16 -3.659 5.845 4.748
90 HD22 ASN 16 2HD2 ASN 16 -5.352 5.702 5.062
91 H GLU 17 H GLU 17 -1.041 7.237 1.278
92 HA GLU 17 HA GLU 17 -1.050 9.691 -0.157
93 HB2 GLU 17 1HB GLU 17 1.059 7.760 0.725
94 HB3 GLU 17 2HB GLU 17 1.474 9.016 -0.433
95 HG2 GLU 17 1HG GLU 17 2.015 9.758 1.782
96 HG3 GLU 17 2HG GLU 17 0.672 10.713 1.158
97 H CYS 18 H CYS 18 0.024 6.418 -1.087
98 HA CYS 18 HA CYS 18 0.040 7.215 -3.889
99 HB2 CYS 18 1HB CYS 18 1.105 5.077 -4.311
100 HB3 CYS 18 2HB CYS 18 1.913 5.874 -2.966
101 H GLN 19 H GLN 19 -1.983 5.609 -1.645
102 HA GLN 19 HA GLN 19 -4.001 4.575 -1.822
103 HB2 GLN 19 1HB GLN 19 -3.945 6.007 -4.477
104 HB3 GLN 19 2HB GLN 19 -5.342 5.110 -3.899
105 HG2 GLN 19 1HG GLN 19 -4.093 7.348 -2.336
106 HG3 GLN 19 2HG GLN 19 -5.365 7.605 -3.528
107 HE21 GLN 19 1HE2 GLN 19 -5.381 8.088 -0.656
108 HE22 GLN 19 2HE2 GLN 19 -6.690 7.158 -0.020
109 H LYS 20 H LYS 20 -1.778 2.999 -2.379
110 HA LYS 20 HA LYS 20 -2.448 1.400 -4.723
111 HB2 LYS 20 1HB LYS 20 -0.127 1.506 -2.833
112 HB3 LYS 20 2HB LYS 20 -0.392 0.061 -3.801
113 HG2 LYS 20 1HG LYS 20 -0.287 1.409 -5.839
114 HG3 LYS 20 2HG LYS 20 -0.011 2.854 -4.863
115 HD2 LYS 20 1HD LYS 20 2.111 2.141 -4.195
116 HD3 LYS 20 2HD LYS 20 1.784 0.462 -4.631
117 HE2 LYS 20 1HE LYS 20 1.713 1.145 -7.012
118 HE3 LYS 20 2HE LYS 20 2.160 2.779 -6.526
119 HZ1 LYS 20 3HZ LYS 20 3.781 0.326 -6.490
120 HZ2 LYS 20 1HZ LYS 20 4.138 1.572 -5.403
121 HZ3 LYS 20 2HZ LYS 20 4.180 1.864 -7.068
122 H ALA 21 H ALA 21 -1.987 -1.108 -4.180
123 HA ALA 21 HA ALA 21 -3.722 -1.787 -1.894
124 HB1 ALA 21 3HB ALA 21 -5.110 -2.318 -3.638
125 HB2 ALA 21 1HB ALA 21 -3.778 -2.739 -4.715
126 HB3 ALA 21 2HB ALA 21 -4.258 -3.848 -3.430
127 H PHE 22 H PHE 22 -3.105 -3.453 -0.595
128 HA PHE 22 HA PHE 22 -0.638 -4.887 -1.321
129 HB2 PHE 22 1HB PHE 22 -1.367 -3.659 1.341
130 HB3 PHE 22 2HB PHE 22 -0.067 -4.830 1.141
131 HD1 PHE 22 HD2 PHE 22 -1.242 -1.507 -0.024
132 HD2 PHE 22 HD1 PHE 22 2.063 -4.133 0.529
133 HE1 PHE 22 HE2 PHE 22 0.301 0.316 -0.614
134 HE2 PHE 22 HE1 PHE 22 3.611 -2.313 -0.059
135 HZ PHE 22 HZ PHE 22 2.731 -0.086 -0.633
136 H ASN 23 H ASN 23 -0.364 -6.965 -0.275
137 HA ASN 23 HA ASN 23 -2.808 -8.452 -0.228
138 HB2 ASN 23 1HB ASN 23 -1.123 -10.316 0.533
139 HB3 ASN 23 2HB ASN 23 -1.079 -9.708 -1.120
140 HD21 ASN 23 1HD2 ASN 23 0.904 -9.456 -1.814
141 HD22 ASN 23 2HD2 ASN 23 2.253 -8.906 -0.885
142 H THR 24 H THR 24 -0.330 -7.685 2.204
143 HA THR 24 HA THR 24 -2.282 -8.403 4.293
144 HB THR 24 HB THR 24 -0.331 -8.764 5.794
145 HG1 THR 24 HG1 THR 24 1.694 -8.584 5.036
146 HG21 THR 24 3HG2 THR 24 -1.362 -10.673 4.700
147 HG22 THR 24 1HG2 THR 24 0.384 -10.904 4.790
148 HG23 THR 24 2HG2 THR 24 -0.364 -10.421 3.268
149 H LYS 25 H LYS 25 -2.043 -7.180 6.340
150 HA LYS 25 HA LYS 25 -2.030 -4.372 5.809
151 HB2 LYS 25 1HB LYS 25 -3.391 -5.790 7.564
152 HB3 LYS 25 2HB LYS 25 -2.000 -5.470 8.591
153 HG2 LYS 25 1HG LYS 25 -2.338 -3.025 8.089
154 HG3 LYS 25 2HG LYS 25 -3.874 -3.478 7.347
155 HD2 LYS 25 1HD LYS 25 -4.201 -4.735 9.653
156 HD3 LYS 25 2HD LYS 25 -3.054 -3.513 10.207
157 HE2 LYS 25 1HE LYS 25 -4.629 -1.848 8.996
158 HE3 LYS 25 2HE LYS 25 -5.806 -3.158 9.081
159 HZ1 LYS 25 3HZ LYS 25 -6.252 -2.495 11.132
160 HZ2 LYS 25 1HZ LYS 25 -4.993 -1.364 11.112
161 HZ3 LYS 25 2HZ LYS 25 -4.693 -2.955 11.601
162 H SER 26 H SER 26 0.040 -6.528 7.734
163 HA SER 26 HA SER 26 1.789 -4.769 8.857
164 HB2 SER 26 1HB SER 26 3.520 -6.555 8.666
165 HB3 SER 26 2HB SER 26 1.969 -7.155 9.252
166 HG SER 26 HG SER 26 1.664 -7.530 6.811
167 H ASN 27 H ASN 27 1.897 -5.997 5.532
168 HA ASN 27 HA ASN 27 4.281 -4.762 4.746
169 HB2 ASN 27 1HB ASN 27 1.862 -5.748 3.273
170 HB3 ASN 27 2HB ASN 27 3.109 -4.856 2.405
171 HD21 ASN 27 1HD2 ASN 27 3.144 -7.316 4.965
172 HD22 ASN 27 2HD2 ASN 27 4.219 -8.393 4.148
173 H LEU 28 H LEU 28 0.924 -3.626 4.494
174 HA LEU 28 HA LEU 28 1.436 -1.205 3.202
175 HB2 LEU 28 1HB LEU 28 -0.797 -1.926 3.315
176 HB3 LEU 28 2HB LEU 28 -0.738 -2.100 5.068
177 HG LEU 28 HG LEU 28 -0.596 0.386 5.239
178 HD11 LEU 28 1HD1 LEU 28 -0.430 1.719 3.462
179 HD12 LEU 28 2HD1 LEU 28 -1.680 0.842 2.580
180 HD13 LEU 28 3HD1 LEU 28 -0.013 0.267 2.551
181 HD21 LEU 28 3HD2 LEU 28 -3.005 0.739 4.482
182 HD22 LEU 28 1HD2 LEU 28 -2.709 -0.543 5.657
183 HD23 LEU 28 2HD2 LEU 28 -2.965 -0.945 3.959
184 H MET 29 H MET 29 0.806 -1.673 6.687
185 HA MET 29 HA MET 29 1.302 0.806 7.649
186 HB2 MET 29 1HB MET 29 2.098 -1.863 8.804
187 HB3 MET 29 2HB MET 29 2.294 -0.358 9.692
188 HG2 MET 29 1HG MET 29 -0.360 -1.101 8.540
189 HG3 MET 29 2HG MET 29 0.183 -1.794 10.066
190 HE1 MET 29 3HE MET 29 -2.556 0.827 10.844
191 HE2 MET 29 1HE MET 29 -2.227 -0.813 10.282
192 HE3 MET 29 2HE MET 29 -1.753 -0.327 11.910
193 H VAL 30 H VAL 30 3.821 -1.661 7.117
194 HA VAL 30 HA VAL 30 6.000 -0.018 7.795
195 HB VAL 30 HB VAL 30 5.941 -2.401 5.938
196 HG11 VAL 30 1HG1 VAL 30 8.382 -1.680 7.440
197 HG12 VAL 30 2HG1 VAL 30 8.202 -2.374 5.827
198 HG13 VAL 30 3HG1 VAL 30 7.959 -0.644 6.077
199 HG21 VAL 30 3HG2 VAL 30 7.116 -2.843 8.530
200 HG22 VAL 30 1HG2 VAL 30 5.461 -2.254 8.687
201 HG23 VAL 30 2HG2 VAL 30 5.795 -3.702 7.738
202 H HIS 31 H HIS 31 4.468 -0.719 4.678
203 HA HIS 31 HA HIS 31 6.261 0.624 3.019
204 HB2 HIS 31 1HB HIS 31 4.742 -0.638 1.826
205 HB3 HIS 31 2HB HIS 31 3.378 -0.127 2.815
206 HD1 HIS 31 HD1 HIS 31 5.679 1.303 0.152
207 HD2 HIS 31 HD2 HIS 31 1.845 1.802 1.675
208 HE1 HIS 31 HE1 HIS 31 4.572 2.989 -1.351
209 H GLN 32 H GLN 32 3.173 1.850 4.323
210 HA GLN 32 HA GLN 32 3.049 4.362 3.443
211 HB2 GLN 32 1HB GLN 32 2.703 3.493 6.315
212 HB3 GLN 32 2HB GLN 32 2.190 5.057 5.696
213 HG2 GLN 32 1HG GLN 32 0.914 3.556 3.945
214 HG3 GLN 32 2HG GLN 32 1.040 2.362 5.235
215 HE21 GLN 32 1HE2 GLN 32 -1.277 2.463 5.308
216 HE22 GLN 32 2HE2 GLN 32 -2.058 3.730 6.185
217 H ARG 33 H ARG 33 5.254 3.299 6.005
218 HA ARG 33 HA ARG 33 6.342 5.686 6.800
219 HB2 ARG 33 1HB ARG 33 7.735 3.038 6.376
220 HB3 ARG 33 2HB ARG 33 8.448 4.399 7.232
221 HG2 ARG 33 1HG ARG 33 7.062 4.166 9.045
222 HG3 ARG 33 2HG ARG 33 5.795 3.371 8.108
223 HD2 ARG 33 1HD ARG 33 7.404 1.428 7.852
224 HD3 ARG 33 2HD ARG 33 8.394 2.213 9.081
225 HE ARG 33 HE ARG 33 5.868 0.859 9.476
226 HH11 ARG 33 1HH1 ARG 33 8.238 3.051 10.779
227 HH12 ARG 33 2HH1 ARG 33 7.748 2.810 12.424
228 HH21 ARG 33 1HH2 ARG 33 5.213 0.533 11.637
229 HH22 ARG 33 2HH2 ARG 33 6.028 1.377 12.910
230 H THR 34 H THR 34 7.453 3.675 4.079
231 HA THR 34 HA THR 34 9.586 4.986 3.125
232 HB THR 34 HB THR 34 8.954 4.390 0.851
233 HG1 THR 34 HG1 THR 34 6.375 4.235 2.000
234 HG21 THR 34 3HG2 THR 34 9.375 2.642 2.837
235 HG22 THR 34 1HG2 THR 34 9.078 2.142 1.172
236 HG23 THR 34 2HG2 THR 34 7.761 2.128 2.346
237 H HIS 35 H HIS 35 6.232 6.033 2.603
238 HA HIS 35 HA HIS 35 6.668 8.214 0.967
239 HB2 HIS 35 1HB HIS 35 4.612 7.732 3.118
240 HB3 HIS 35 2HB HIS 35 4.592 9.180 2.116
241 HD1 HIS 35 HD1 HIS 35 4.975 8.228 -0.644
242 HD2 HIS 35 HD2 HIS 35 2.771 6.041 2.116
243 HE1 HIS 35 HE1 HIS 35 3.473 6.743 -2.008
244 H THR 36 H THR 36 6.409 8.288 4.526
245 HA THR 36 HA THR 36 7.943 10.804 4.489
246 HB THR 36 HB THR 36 5.638 10.965 5.428
247 HG1 THR 36 HG1 THR 36 7.975 11.570 6.836
248 HG21 THR 36 3HG2 THR 36 4.905 9.335 6.760
249 HG22 THR 36 1HG2 THR 36 6.019 9.912 7.999
250 HG23 THR 36 2HG2 THR 36 6.522 8.642 6.882
251 H GLY 37 H GLY 37 9.318 8.383 4.309
252 HA2 GLY 37 1HA GLY 37 10.659 8.344 6.936
253 HA3 GLY 37 2HA GLY 37 10.291 6.844 6.097
254 H GLU 38 H GLU 38 12.867 7.397 6.835
255 HA GLU 38 HA GLU 38 14.512 8.765 5.110
256 HB2 GLU 38 1HB GLU 38 15.035 6.115 6.467
257 HB3 GLU 38 2HB GLU 38 16.275 7.117 5.724
258 HG2 GLU 38 1HG GLU 38 14.500 8.083 7.946
259 HG3 GLU 38 2HG GLU 38 16.055 7.300 8.219
260 H SER 39 H SER 39 13.546 5.346 4.826
261 HA SER 39 HA SER 39 14.800 4.944 2.321
262 HB2 SER 39 1HB SER 39 12.607 3.437 3.753
263 HB3 SER 39 2HB SER 39 13.295 2.904 2.219
264 HG SER 39 HG SER 39 15.036 2.266 3.224
265 H GLY 40 H GLY 40 14.215 5.618 0.370
266 HA2 GLY 40 1HA GLY 40 11.385 5.888 -0.292
267 HA3 GLY 40 2HA GLY 40 12.357 7.349 -0.386
268 HA PRO 41 HA PRO 41 13.870 4.213 -3.790
269 HB2 PRO 41 1HB PRO 41 12.002 2.386 -4.526
270 HB3 PRO 41 2HB PRO 41 13.207 2.076 -3.270
271 HG2 PRO 41 1HG PRO 41 10.341 2.894 -2.986
272 HG3 PRO 41 2HG PRO 41 11.255 1.685 -2.067
273 HD2 PRO 41 1HD PRO 41 10.764 4.172 -1.116
274 HD3 PRO 41 2HD PRO 41 12.242 3.273 -0.718
275 H SER 42 H SER 42 13.510 4.406 -6.035
276 HA SER 42 HA SER 42 12.134 6.604 -6.925
277 HB2 SER 42 1HB SER 42 13.874 5.210 -8.172
278 HB3 SER 42 2HB SER 42 12.540 4.164 -8.655
279 HG SER 42 HG SER 42 11.544 6.111 -9.514
280 H SER 43 H SER 43 11.062 3.229 -7.371
281 HA SER 43 HA SER 43 8.651 3.546 -8.531
282 HB2 SER 43 1HB SER 43 9.447 1.343 -7.958
283 HB3 SER 43 2HB SER 43 9.326 1.695 -6.234
284 HG SER 43 HG SER 43 7.478 0.656 -7.785
285 H GLY 44 H GLY 44 6.853 4.653 -8.139
286 HA2 GLY 44 1HA GLY 44 6.513 5.965 -5.573
287 HA3 GLY 44 2HA GLY 44 5.542 6.222 -7.015
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -2.065 7.595 -24.043
2 HA2 GLY 1 1HA GLY 1 -2.570 6.079 -26.178
3 HA3 GLY 1 2HA GLY 1 -1.203 5.218 -25.485
4 H SER 2 H SER 2 -2.235 3.372 -24.872
5 HA SER 2 HA SER 2 -4.706 3.476 -23.379
6 HB2 SER 2 1HB SER 2 -2.918 1.229 -24.298
7 HB3 SER 2 2HB SER 2 -4.295 0.946 -23.233
8 HG SER 2 HG SER 2 -5.308 0.809 -25.084
9 H SER 3 H SER 3 -4.358 4.425 -21.418
10 HA SER 3 HA SER 3 -2.291 3.252 -19.687
11 HB2 SER 3 1HB SER 3 -2.254 5.739 -20.089
12 HB3 SER 3 2HB SER 3 -3.801 5.836 -19.247
13 HG SER 3 HG SER 3 -2.646 5.927 -17.503
14 H GLY 4 H GLY 4 -2.859 2.039 -17.996
15 HA2 GLY 4 1HA GLY 4 -4.799 2.299 -16.159
16 HA3 GLY 4 2HA GLY 4 -5.680 1.576 -17.497
17 H SER 5 H SER 5 -4.703 0.688 -14.702
18 HA SER 5 HA SER 5 -3.068 -1.614 -15.363
19 HB2 SER 5 1HB SER 5 -4.311 -0.842 -12.713
20 HB3 SER 5 2HB SER 5 -3.059 -2.057 -12.967
21 HG SER 5 HG SER 5 -2.735 0.519 -12.526
22 H SER 6 H SER 6 -3.905 -3.456 -16.053
23 HA SER 6 HA SER 6 -6.717 -3.964 -15.989
24 HB2 SER 6 1HB SER 6 -4.312 -5.343 -17.076
25 HB3 SER 6 2HB SER 6 -5.752 -6.323 -16.800
26 HG SER 6 HG SER 6 -6.502 -5.511 -18.573
27 H GLY 7 H GLY 7 -7.459 -6.253 -15.293
28 HA2 GLY 7 1HA GLY 7 -7.812 -7.781 -13.611
29 HA3 GLY 7 2HA GLY 7 -6.148 -7.516 -13.113
30 H THR 8 H THR 8 -8.979 -7.630 -11.798
31 HA THR 8 HA THR 8 -9.017 -5.076 -10.410
32 HB THR 8 HB THR 8 -10.792 -7.491 -10.007
33 HG1 THR 8 HG1 THR 8 -12.154 -6.549 -11.444
34 HG21 THR 8 3HG2 THR 8 -12.243 -5.348 -9.224
35 HG22 THR 8 1HG2 THR 8 -10.626 -4.828 -8.749
36 HG23 THR 8 2HG2 THR 8 -11.286 -6.340 -8.124
37 H GLY 9 H GLY 9 -7.528 -4.829 -8.860
38 HA2 GLY 9 1HA GLY 9 -6.863 -7.128 -7.153
39 HA3 GLY 9 2HA GLY 9 -5.900 -5.668 -7.327
40 H GLU 10 H GLU 10 -9.337 -6.196 -6.556
41 HA GLU 10 HA GLU 10 -9.462 -4.110 -4.681
42 HB2 GLU 10 1HB GLU 10 -11.202 -6.467 -5.305
43 HB3 GLU 10 2HB GLU 10 -11.543 -5.489 -3.885
44 HG2 GLU 10 1HG GLU 10 -11.451 -3.496 -5.527
45 HG3 GLU 10 2HG GLU 10 -11.662 -4.728 -6.770
46 H LYS 11 H LYS 11 -7.850 -4.225 -3.154
47 HA LYS 11 HA LYS 11 -7.787 -6.598 -1.425
48 HB2 LYS 11 1HB LYS 11 -5.810 -4.342 -1.787
49 HB3 LYS 11 2HB LYS 11 -5.639 -5.612 -0.582
50 HG2 LYS 11 1HG LYS 11 -5.948 -6.294 -3.477
51 HG3 LYS 11 2HG LYS 11 -4.379 -5.824 -2.819
52 HD2 LYS 11 1HD LYS 11 -4.593 -7.621 -1.132
53 HD3 LYS 11 2HD LYS 11 -6.107 -8.118 -1.890
54 HE2 LYS 11 1HE LYS 11 -4.315 -9.529 -2.674
55 HE3 LYS 11 2HE LYS 11 -4.879 -8.510 -3.998
56 HZ1 LYS 11 3HZ LYS 11 -2.363 -8.775 -3.600
57 HZ2 LYS 11 1HZ LYS 11 -2.592 -7.660 -2.349
58 HZ3 LYS 11 2HZ LYS 11 -2.975 -7.235 -3.940
59 HA PRO 12 HA PRO 12 -9.751 -4.470 1.883
60 HB2 PRO 12 1HB PRO 12 -8.669 -5.785 3.998
61 HB3 PRO 12 2HB PRO 12 -9.881 -6.510 2.934
62 HG2 PRO 12 1HG PRO 12 -6.907 -6.850 2.926
63 HG3 PRO 12 2HG PRO 12 -8.174 -8.075 2.729
64 HD2 PRO 12 1HD PRO 12 -6.812 -7.038 0.631
65 HD3 PRO 12 2HD PRO 12 -8.505 -7.557 0.508
66 H TYR 13 H TYR 13 -6.399 -4.344 1.353
67 HA TYR 13 HA TYR 13 -6.126 -2.189 3.345
68 HB2 TYR 13 1HB TYR 13 -3.850 -3.897 2.342
69 HB3 TYR 13 2HB TYR 13 -3.847 -2.785 3.707
70 HD1 TYR 13 HD2 TYR 13 -5.120 -3.381 5.775
71 HD2 TYR 13 HD1 TYR 13 -4.556 -6.148 2.593
72 HE1 TYR 13 HE2 TYR 13 -5.697 -5.231 7.289
73 HE2 TYR 13 HE1 TYR 13 -5.133 -8.006 4.098
74 HH TYR 13 HH TYR 13 -6.726 -7.892 6.633
75 H GLU 14 H GLU 14 -6.050 -0.281 2.378
76 HA GLU 14 HA GLU 14 -4.567 -0.050 -0.157
77 HB2 GLU 14 1HB GLU 14 -7.276 0.935 0.579
78 HB3 GLU 14 2HB GLU 14 -6.281 1.979 -0.427
79 HG2 GLU 14 1HG GLU 14 -6.617 -0.885 -1.175
80 HG3 GLU 14 2HG GLU 14 -7.914 0.262 -1.506
81 H CYS 15 H CYS 15 -3.578 2.016 -0.555
82 HA CYS 15 HA CYS 15 -2.676 3.271 1.921
83 HB2 CYS 15 1HB CYS 15 -1.203 2.437 -0.117
84 HB3 CYS 15 2HB CYS 15 -1.588 4.033 -0.754
85 H ASN 16 H ASN 16 -3.429 5.166 2.587
86 HA ASN 16 HA ASN 16 -5.244 6.667 0.907
87 HB2 ASN 16 1HB ASN 16 -5.430 8.122 2.987
88 HB3 ASN 16 2HB ASN 16 -5.948 6.448 3.164
89 HD21 ASN 16 1HD2 ASN 16 -2.943 8.326 3.403
90 HD22 ASN 16 2HD2 ASN 16 -2.408 7.599 4.877
91 H GLU 17 H GLU 17 -2.300 6.543 0.349
92 HA GLU 17 HA GLU 17 -1.850 9.449 0.243
93 HB2 GLU 17 1HB GLU 17 0.176 7.294 0.856
94 HB3 GLU 17 2HB GLU 17 0.607 8.949 0.447
95 HG2 GLU 17 1HG GLU 17 -1.147 8.203 2.772
96 HG3 GLU 17 2HG GLU 17 0.597 8.434 2.885
97 H CYS 18 H CYS 18 -1.145 6.289 -1.179
98 HA CYS 18 HA CYS 18 -0.757 7.634 -3.772
99 HB2 CYS 18 1HB CYS 18 0.821 5.867 -4.393
100 HB3 CYS 18 2HB CYS 18 1.366 6.712 -2.948
101 H GLN 19 H GLN 19 -2.726 5.665 -2.010
102 HA GLN 19 HA GLN 19 -4.482 4.311 -2.515
103 HB2 GLN 19 1HB GLN 19 -4.006 5.580 -5.205
104 HB3 GLN 19 2HB GLN 19 -5.298 4.417 -4.939
105 HG2 GLN 19 1HG GLN 19 -4.996 6.928 -3.319
106 HG3 GLN 19 2HG GLN 19 -5.943 6.842 -4.803
107 HE21 GLN 19 1HE2 GLN 19 -6.589 7.255 -1.873
108 HE22 GLN 19 2HE2 GLN 19 -7.872 6.141 -1.566
109 H LYS 20 H LYS 20 -2.125 3.007 -2.262
110 HA LYS 20 HA LYS 20 -2.064 1.079 -4.484
111 HB2 LYS 20 1HB LYS 20 0.079 2.190 -3.973
112 HB3 LYS 20 2HB LYS 20 -0.003 1.575 -2.327
113 HG2 LYS 20 1HG LYS 20 0.101 -0.715 -3.180
114 HG3 LYS 20 2HG LYS 20 0.196 -0.091 -4.828
115 HD2 LYS 20 1HD LYS 20 2.230 1.262 -3.828
116 HD3 LYS 20 2HD LYS 20 2.235 -0.059 -2.657
117 HE2 LYS 20 1HE LYS 20 2.086 -0.706 -5.562
118 HE3 LYS 20 2HE LYS 20 3.632 -0.202 -4.883
119 HZ1 LYS 20 3HZ LYS 20 2.228 -2.219 -3.357
120 HZ2 LYS 20 1HZ LYS 20 3.864 -2.120 -3.776
121 HZ3 LYS 20 2HZ LYS 20 2.741 -2.723 -4.888
122 H ALA 21 H ALA 21 -3.014 -0.813 -4.161
123 HA ALA 21 HA ALA 21 -3.953 -1.586 -1.559
124 HB1 ALA 21 3HB ALA 21 -4.576 -2.231 -4.257
125 HB2 ALA 21 1HB ALA 21 -4.234 -3.728 -3.389
126 HB3 ALA 21 2HB ALA 21 -5.474 -2.625 -2.792
127 H PHE 22 H PHE 22 -3.349 -3.389 -0.354
128 HA PHE 22 HA PHE 22 -0.832 -4.691 -1.147
129 HB2 PHE 22 1HB PHE 22 -1.564 -3.586 1.567
130 HB3 PHE 22 2HB PHE 22 -0.216 -4.685 1.299
131 HD1 PHE 22 HD2 PHE 22 -1.567 -1.466 -0.015
132 HD2 PHE 22 HD1 PHE 22 1.867 -3.781 0.971
133 HE1 PHE 22 HE2 PHE 22 -0.122 0.448 -0.565
134 HE2 PHE 22 HE1 PHE 22 3.316 -1.870 0.423
135 HZ PHE 22 HZ PHE 22 2.323 0.248 -0.346
136 H ASN 23 H ASN 23 -0.448 -6.585 0.577
137 HA ASN 23 HA ASN 23 -2.780 -8.300 0.284
138 HB2 ASN 23 1HB ASN 23 -0.829 -9.397 -0.414
139 HB3 ASN 23 2HB ASN 23 0.114 -8.780 0.939
140 HD21 ASN 23 1HD2 ASN 23 0.813 -10.678 1.756
141 HD22 ASN 23 2HD2 ASN 23 -0.225 -11.892 2.414
142 H THR 24 H THR 24 -0.498 -7.463 2.894
143 HA THR 24 HA THR 24 -2.688 -7.915 4.815
144 HB THR 24 HB THR 24 -0.908 -8.541 6.477
145 HG1 THR 24 HG1 THR 24 1.043 -9.391 5.182
146 HG21 THR 24 3HG2 THR 24 -1.222 -10.276 4.026
147 HG22 THR 24 1HG2 THR 24 -2.254 -10.270 5.456
148 HG23 THR 24 2HG2 THR 24 -0.586 -10.831 5.574
149 H LYS 25 H LYS 25 -2.486 -6.693 6.838
150 HA LYS 25 HA LYS 25 -2.172 -3.963 6.422
151 HB2 LYS 25 1HB LYS 25 -3.421 -5.187 8.300
152 HB3 LYS 25 2HB LYS 25 -1.868 -5.260 9.124
153 HG2 LYS 25 1HG LYS 25 -1.739 -2.903 9.287
154 HG3 LYS 25 2HG LYS 25 -3.095 -2.685 8.178
155 HD2 LYS 25 1HD LYS 25 -3.383 -4.133 10.798
156 HD3 LYS 25 2HD LYS 25 -3.568 -2.382 10.666
157 HE2 LYS 25 1HE LYS 25 -5.398 -2.627 9.144
158 HE3 LYS 25 2HE LYS 25 -5.130 -4.364 9.019
159 HZ1 LYS 25 3HZ LYS 25 -5.513 -4.240 11.589
160 HZ2 LYS 25 1HZ LYS 25 -6.824 -4.303 10.521
161 HZ3 LYS 25 2HZ LYS 25 -6.351 -2.824 11.192
162 H SER 26 H SER 26 0.065 -6.289 7.890
163 HA SER 26 HA SER 26 2.047 -4.589 8.766
164 HB2 SER 26 1HB SER 26 2.261 -6.894 9.287
165 HB3 SER 26 2HB SER 26 2.208 -7.362 7.587
166 HG SER 26 HG SER 26 4.332 -6.674 9.101
167 H ASN 27 H ASN 27 1.764 -6.058 5.534
168 HA ASN 27 HA ASN 27 4.019 -4.963 4.366
169 HB2 ASN 27 1HB ASN 27 2.156 -6.613 3.457
170 HB3 ASN 27 2HB ASN 27 1.517 -5.135 2.744
171 HD21 ASN 27 1HD2 ASN 27 2.031 -6.574 0.825
172 HD22 ASN 27 2HD2 ASN 27 3.591 -6.367 0.113
173 H LEU 28 H LEU 28 0.758 -3.580 4.593
174 HA LEU 28 HA LEU 28 1.328 -1.218 3.155
175 HB2 LEU 28 1HB LEU 28 -0.935 -1.807 3.397
176 HB3 LEU 28 2HB LEU 28 -0.790 -1.964 5.146
177 HG LEU 28 HG LEU 28 -0.493 0.509 5.275
178 HD11 LEU 28 1HD1 LEU 28 -0.689 1.900 3.459
179 HD12 LEU 28 2HD1 LEU 28 -1.562 0.706 2.499
180 HD13 LEU 28 3HD1 LEU 28 0.176 0.537 2.748
181 HD21 LEU 28 3HD2 LEU 28 -3.032 -0.510 4.006
182 HD22 LEU 28 1HD2 LEU 28 -2.864 1.029 4.850
183 HD23 LEU 28 2HD2 LEU 28 -2.650 -0.486 5.728
184 H MET 29 H MET 29 1.309 -1.937 6.632
185 HA MET 29 HA MET 29 1.834 0.595 7.620
186 HB2 MET 29 1HB MET 29 2.454 -2.168 8.582
187 HB3 MET 29 2HB MET 29 3.142 -0.794 9.438
188 HG2 MET 29 1HG MET 29 0.712 0.086 9.486
189 HG3 MET 29 2HG MET 29 0.280 -1.585 9.130
190 HE1 MET 29 3HE MET 29 -0.497 -3.003 10.995
191 HE2 MET 29 1HE MET 29 1.115 -3.648 10.679
192 HE3 MET 29 2HE MET 29 0.570 -3.413 12.340
193 H VAL 30 H VAL 30 4.139 -1.880 6.536
194 HA VAL 30 HA VAL 30 6.477 -0.418 7.124
195 HB VAL 30 HB VAL 30 6.044 -2.576 5.054
196 HG11 VAL 30 1HG1 VAL 30 8.412 -2.836 4.960
197 HG12 VAL 30 2HG1 VAL 30 8.057 -1.129 4.684
198 HG13 VAL 30 3HG1 VAL 30 8.651 -1.665 6.257
199 HG21 VAL 30 3HG2 VAL 30 5.713 -3.791 6.922
200 HG22 VAL 30 1HG2 VAL 30 7.470 -3.711 7.055
201 HG23 VAL 30 2HG2 VAL 30 6.464 -2.584 7.966
202 H HIS 31 H HIS 31 4.362 -0.492 4.323
203 HA HIS 31 HA HIS 31 6.060 0.917 2.552
204 HB2 HIS 31 1HB HIS 31 4.235 -0.313 1.623
205 HB3 HIS 31 2HB HIS 31 3.065 0.543 2.623
206 HD1 HIS 31 HD1 HIS 31 5.681 1.621 0.063
207 HD2 HIS 31 HD2 HIS 31 1.729 2.337 1.127
208 HE1 HIS 31 HE1 HIS 31 4.838 3.324 -1.585
209 H GLN 32 H GLN 32 3.203 2.050 4.367
210 HA GLN 32 HA GLN 32 3.219 4.696 3.791
211 HB2 GLN 32 1HB GLN 32 2.786 3.461 6.515
212 HB3 GLN 32 2HB GLN 32 2.325 5.100 6.075
213 HG2 GLN 32 1HG GLN 32 0.664 4.359 4.601
214 HG3 GLN 32 2HG GLN 32 1.305 2.717 4.572
215 HE21 GLN 32 1HE2 GLN 32 -1.094 4.613 5.757
216 HE22 GLN 32 2HE2 GLN 32 -1.566 3.667 7.124
217 H ARG 33 H ARG 33 5.619 2.976 5.577
218 HA ARG 33 HA ARG 33 6.781 5.246 6.871
219 HB2 ARG 33 1HB ARG 33 7.964 2.524 6.288
220 HB3 ARG 33 2HB ARG 33 8.649 3.725 7.375
221 HG2 ARG 33 1HG ARG 33 6.307 3.553 8.539
222 HG3 ARG 33 2HG ARG 33 6.264 1.985 7.731
223 HD2 ARG 33 1HD ARG 33 8.358 1.358 8.787
224 HD3 ARG 33 2HD ARG 33 8.476 2.947 9.541
225 HE ARG 33 HE ARG 33 6.083 1.455 10.182
226 HH11 ARG 33 1HH1 ARG 33 9.360 2.227 11.071
227 HH12 ARG 33 2HH1 ARG 33 9.148 1.793 12.735
228 HH21 ARG 33 1HH2 ARG 33 5.793 0.881 12.371
229 HH22 ARG 33 2HH2 ARG 33 7.119 1.026 13.473
230 H THR 34 H THR 34 7.652 3.315 4.014
231 HA THR 34 HA THR 34 9.966 4.679 3.291
232 HB THR 34 HB THR 34 9.202 2.552 2.253
233 HG1 THR 34 HG1 THR 34 10.373 3.028 0.530
234 HG21 THR 34 3HG2 THR 34 7.068 2.533 1.550
235 HG22 THR 34 1HG2 THR 34 7.694 3.309 0.096
236 HG23 THR 34 2HG2 THR 34 7.007 4.288 1.392
237 H HIS 35 H HIS 35 6.651 5.621 3.016
238 HA HIS 35 HA HIS 35 6.759 7.460 0.928
239 HB2 HIS 35 1HB HIS 35 5.041 7.103 3.332
240 HB3 HIS 35 2HB HIS 35 4.954 8.651 2.497
241 HD1 HIS 35 HD1 HIS 35 5.249 7.504 -0.414
242 HD2 HIS 35 HD2 HIS 35 2.630 6.093 2.486
243 HE1 HIS 35 HE1 HIS 35 3.401 6.358 -1.677
244 H THR 36 H THR 36 7.190 8.063 4.415
245 HA THR 36 HA THR 36 8.704 10.491 3.704
246 HB THR 36 HB THR 36 6.575 11.092 4.755
247 HG1 THR 36 HG1 THR 36 8.454 11.550 6.790
248 HG21 THR 36 3HG2 THR 36 5.812 9.488 6.169
249 HG22 THR 36 1HG2 THR 36 6.649 10.473 7.368
250 HG23 THR 36 2HG2 THR 36 7.431 9.037 6.706
251 H GLY 37 H GLY 37 9.939 7.995 3.930
252 HA2 GLY 37 1HA GLY 37 11.415 8.308 6.473
253 HA3 GLY 37 2HA GLY 37 11.092 6.741 5.746
254 H GLU 38 H GLU 38 11.659 7.377 3.065
255 HA GLU 38 HA GLU 38 14.479 7.072 3.069
256 HB2 GLU 38 1HB GLU 38 12.362 7.293 0.981
257 HB3 GLU 38 2HB GLU 38 14.032 7.542 0.494
258 HG2 GLU 38 1HG GLU 38 12.809 5.085 1.708
259 HG3 GLU 38 2HG GLU 38 13.534 5.267 0.112
260 H SER 39 H SER 39 15.936 8.444 1.694
261 HA SER 39 HA SER 39 15.779 11.161 2.617
262 HB2 SER 39 1HB SER 39 17.789 9.654 0.943
263 HB3 SER 39 2HB SER 39 17.948 11.378 1.283
264 HG SER 39 HG SER 39 19.078 10.249 2.841
265 H GLY 40 H GLY 40 15.398 12.999 1.454
266 HA2 GLY 40 1HA GLY 40 14.264 12.585 -1.231
267 HA3 GLY 40 2HA GLY 40 13.884 13.927 -0.161
268 HA PRO 41 HA PRO 41 17.144 15.110 -3.362
269 HB2 PRO 41 1HB PRO 41 15.648 16.954 -4.679
270 HB3 PRO 41 2HB PRO 41 15.683 15.246 -5.131
271 HG2 PRO 41 1HG PRO 41 13.654 16.735 -3.512
272 HG3 PRO 41 2HG PRO 41 13.401 15.526 -4.784
273 HD2 PRO 41 1HD PRO 41 13.233 14.925 -2.149
274 HD3 PRO 41 2HD PRO 41 13.805 13.759 -3.360
275 H SER 42 H SER 42 15.540 16.330 -0.758
276 HA SER 42 HA SER 42 16.186 19.099 -0.928
277 HB2 SER 42 1HB SER 42 15.488 19.237 1.364
278 HB3 SER 42 2HB SER 42 14.409 18.099 0.558
279 HG SER 42 HG SER 42 16.591 17.509 2.267
280 H SER 43 H SER 43 18.065 20.083 -0.600
281 HA SER 43 HA SER 43 20.466 18.718 -0.213
282 HB2 SER 43 1HB SER 43 21.516 20.861 -0.089
283 HB3 SER 43 2HB SER 43 20.158 21.032 -1.201
284 HG SER 43 HG SER 43 20.575 22.175 1.270
285 H GLY 44 H GLY 44 21.867 18.521 1.545
286 HA2 GLY 44 1HA GLY 44 22.051 19.431 3.980
287 HA3 GLY 44 2HA GLY 44 20.507 18.607 4.146
Start of MODEL 7
1 H1 GLY 1 H GLY 1 2.989 -12.097 -9.775
2 HA2 GLY 1 1HA GLY 1 3.694 -12.225 -12.313
3 HA3 GLY 1 2HA GLY 1 2.168 -12.935 -11.806
4 H SER 2 H SER 2 2.299 -12.231 -14.359
5 HA SER 2 HA SER 2 0.609 -9.831 -14.477
6 HB2 SER 2 1HB SER 2 2.826 -10.510 -16.424
7 HB3 SER 2 2HB SER 2 1.687 -9.176 -16.601
8 HG SER 2 HG SER 2 3.973 -9.165 -15.305
9 H SER 3 H SER 3 -1.288 -10.918 -14.751
10 HA SER 3 HA SER 3 -1.835 -11.969 -17.352
11 HB2 SER 3 1HB SER 3 -1.418 -13.827 -15.064
12 HB3 SER 3 2HB SER 3 -2.766 -14.168 -16.147
13 HG SER 3 HG SER 3 -0.292 -13.568 -17.291
14 H GLY 4 H GLY 4 -3.914 -11.608 -17.856
15 HA2 GLY 4 1HA GLY 4 -6.172 -11.204 -17.604
16 HA3 GLY 4 2HA GLY 4 -6.035 -11.751 -15.940
17 H SER 5 H SER 5 -7.221 -9.314 -17.467
18 HA SER 5 HA SER 5 -5.865 -7.070 -16.295
19 HB2 SER 5 1HB SER 5 -7.774 -5.760 -17.195
20 HB3 SER 5 2HB SER 5 -7.035 -6.797 -18.415
21 HG SER 5 HG SER 5 -9.223 -7.074 -18.574
22 H SER 6 H SER 6 -9.042 -8.597 -15.769
23 HA SER 6 HA SER 6 -9.384 -7.103 -13.298
24 HB2 SER 6 1HB SER 6 -11.315 -7.372 -14.789
25 HB3 SER 6 2HB SER 6 -11.193 -9.125 -14.645
26 HG SER 6 HG SER 6 -12.571 -8.753 -13.073
27 H GLY 7 H GLY 7 -8.862 -7.853 -11.352
28 HA2 GLY 7 1HA GLY 7 -9.166 -10.561 -10.562
29 HA3 GLY 7 2HA GLY 7 -7.478 -10.221 -10.915
30 H THR 8 H THR 8 -6.273 -9.481 -9.301
31 HA THR 8 HA THR 8 -7.442 -8.972 -6.740
32 HB THR 8 HB THR 8 -5.073 -8.435 -6.060
33 HG1 THR 8 HG1 THR 8 -4.223 -9.478 -8.524
34 HG21 THR 8 3HG2 THR 8 -5.628 -10.629 -5.605
35 HG22 THR 8 1HG2 THR 8 -4.260 -10.843 -6.696
36 HG23 THR 8 2HG2 THR 8 -5.907 -11.023 -7.301
37 H GLY 9 H GLY 9 -8.187 -7.100 -5.998
38 HA2 GLY 9 1HA GLY 9 -6.852 -4.618 -6.441
39 HA3 GLY 9 2HA GLY 9 -8.310 -4.735 -7.416
40 H GLU 10 H GLU 10 -9.800 -6.285 -5.484
41 HA GLU 10 HA GLU 10 -10.620 -4.087 -3.776
42 HB2 GLU 10 1HB GLU 10 -11.803 -6.827 -4.244
43 HB3 GLU 10 2HB GLU 10 -12.503 -5.620 -3.176
44 HG2 GLU 10 1HG GLU 10 -13.655 -5.580 -5.274
45 HG3 GLU 10 2HG GLU 10 -12.726 -4.092 -5.097
46 H LYS 11 H LYS 11 -8.194 -4.779 -2.933
47 HA LYS 11 HA LYS 11 -8.299 -6.786 -0.864
48 HB2 LYS 11 1HB LYS 11 -6.203 -4.829 -1.777
49 HB3 LYS 11 2HB LYS 11 -5.987 -5.796 -0.324
50 HG2 LYS 11 1HG LYS 11 -6.171 -7.836 -1.622
51 HG3 LYS 11 2HG LYS 11 -6.466 -6.895 -3.087
52 HD2 LYS 11 1HD LYS 11 -4.195 -5.765 -2.482
53 HD3 LYS 11 2HD LYS 11 -3.944 -7.217 -1.510
54 HE2 LYS 11 1HE LYS 11 -4.673 -7.264 -4.433
55 HE3 LYS 11 2HE LYS 11 -3.013 -7.313 -3.841
56 HZ1 LYS 11 3HZ LYS 11 -4.527 -9.253 -2.485
57 HZ2 LYS 11 1HZ LYS 11 -3.212 -9.480 -3.526
58 HZ3 LYS 11 2HZ LYS 11 -4.784 -9.441 -4.147
59 HA PRO 12 HA PRO 12 -9.719 -4.218 2.416
60 HB2 PRO 12 1HB PRO 12 -8.671 -5.577 4.520
61 HB3 PRO 12 2HB PRO 12 -10.058 -6.162 3.593
62 HG2 PRO 12 1HG PRO 12 -7.175 -6.943 3.388
63 HG3 PRO 12 2HG PRO 12 -8.618 -7.973 3.357
64 HD2 PRO 12 1HD PRO 12 -7.295 -7.253 1.107
65 HD3 PRO 12 2HD PRO 12 -9.050 -7.519 1.140
66 H TYR 13 H TYR 13 -6.535 -4.418 1.459
67 HA TYR 13 HA TYR 13 -5.719 -2.390 3.436
68 HB2 TYR 13 1HB TYR 13 -3.804 -4.248 2.034
69 HB3 TYR 13 2HB TYR 13 -3.500 -3.229 3.436
70 HD1 TYR 13 HD2 TYR 13 -4.806 -3.795 5.591
71 HD2 TYR 13 HD1 TYR 13 -4.392 -6.485 2.321
72 HE1 TYR 13 HE2 TYR 13 -5.338 -5.679 7.081
73 HE2 TYR 13 HE1 TYR 13 -4.923 -8.376 3.801
74 HH TYR 13 HH TYR 13 -4.913 -8.951 6.130
75 H GLU 14 H GLU 14 -5.658 -0.467 2.491
76 HA GLU 14 HA GLU 14 -4.350 -0.223 -0.121
77 HB2 GLU 14 1HB GLU 14 -7.116 0.637 0.599
78 HB3 GLU 14 2HB GLU 14 -6.182 1.653 -0.490
79 HG2 GLU 14 1HG GLU 14 -5.958 -0.117 -2.069
80 HG3 GLU 14 2HG GLU 14 -6.653 -1.281 -0.943
81 H CYS 15 H CYS 15 -3.102 1.574 -0.371
82 HA CYS 15 HA CYS 15 -2.286 2.963 1.962
83 HB2 CYS 15 1HB CYS 15 -1.034 2.438 -0.314
84 HB3 CYS 15 2HB CYS 15 -1.651 4.027 -0.754
85 H ASN 16 H ASN 16 -1.980 5.522 1.589
86 HA ASN 16 HA ASN 16 -4.638 6.608 0.928
87 HB2 ASN 16 1HB ASN 16 -2.908 7.115 3.337
88 HB3 ASN 16 2HB ASN 16 -4.092 8.306 2.806
89 HD21 ASN 16 1HD2 ASN 16 -4.067 6.891 5.283
90 HD22 ASN 16 2HD2 ASN 16 -5.519 5.958 5.354
91 H GLU 17 H GLU 17 -1.170 7.112 1.059
92 HA GLU 17 HA GLU 17 -1.298 9.748 -0.094
93 HB2 GLU 17 1HB GLU 17 0.540 8.677 1.449
94 HB3 GLU 17 2HB GLU 17 1.197 8.097 -0.075
95 HG2 GLU 17 1HG GLU 17 2.334 10.066 0.200
96 HG3 GLU 17 2HG GLU 17 0.983 10.579 -0.809
97 H CYS 18 H CYS 18 -0.165 6.563 -1.219
98 HA CYS 18 HA CYS 18 -0.135 7.558 -3.968
99 HB2 CYS 18 1HB CYS 18 1.097 5.574 -4.526
100 HB3 CYS 18 2HB CYS 18 1.799 6.245 -3.057
101 H GLN 19 H GLN 19 -2.055 5.681 -1.840
102 HA GLN 19 HA GLN 19 -4.057 4.632 -2.094
103 HB2 GLN 19 1HB GLN 19 -4.025 5.836 -4.867
104 HB3 GLN 19 2HB GLN 19 -5.427 5.158 -4.049
105 HG2 GLN 19 1HG GLN 19 -5.751 7.387 -3.687
106 HG3 GLN 19 2HG GLN 19 -4.865 6.941 -2.230
107 HE21 GLN 19 1HE2 GLN 19 -4.208 9.106 -1.992
108 HE22 GLN 19 2HE2 GLN 19 -2.943 9.772 -2.963
109 H LYS 20 H LYS 20 -1.999 2.981 -2.302
110 HA LYS 20 HA LYS 20 -2.369 1.382 -4.732
111 HB2 LYS 20 1HB LYS 20 -0.203 1.609 -2.689
112 HB3 LYS 20 2HB LYS 20 -0.382 0.090 -3.557
113 HG2 LYS 20 1HG LYS 20 -0.119 1.254 -5.678
114 HG3 LYS 20 2HG LYS 20 0.023 2.793 -4.824
115 HD2 LYS 20 1HD LYS 20 2.063 2.089 -3.774
116 HD3 LYS 20 2HD LYS 20 1.882 0.454 -4.414
117 HE2 LYS 20 1HE LYS 20 2.005 1.445 -6.714
118 HE3 LYS 20 2HE LYS 20 2.416 2.985 -5.961
119 HZ1 LYS 20 3HZ LYS 20 4.456 2.219 -5.294
120 HZ2 LYS 20 1HZ LYS 20 4.280 1.387 -6.756
121 HZ3 LYS 20 2HZ LYS 20 3.987 0.593 -5.292
122 H ALA 21 H ALA 21 -1.843 -1.113 -4.030
123 HA ALA 21 HA ALA 21 -3.709 -1.782 -1.854
124 HB1 ALA 21 3HB ALA 21 -3.768 -2.653 -4.693
125 HB2 ALA 21 1HB ALA 21 -4.224 -3.823 -3.454
126 HB3 ALA 21 2HB ALA 21 -5.096 -2.296 -3.589
127 H PHE 22 H PHE 22 -3.183 -3.535 -0.608
128 HA PHE 22 HA PHE 22 -0.786 -5.063 -1.337
129 HB2 PHE 22 1HB PHE 22 -1.292 -3.694 1.309
130 HB3 PHE 22 2HB PHE 22 -0.053 -4.920 1.066
131 HD1 PHE 22 HD2 PHE 22 -1.165 -1.568 -0.049
132 HD2 PHE 22 HD1 PHE 22 2.043 -4.354 0.202
133 HE1 PHE 22 HE2 PHE 22 0.401 0.173 -0.803
134 HE2 PHE 22 HE1 PHE 22 3.615 -2.618 -0.551
135 HZ PHE 22 HZ PHE 22 2.794 -0.351 -1.056
136 H ASN 23 H ASN 23 -0.691 -7.167 -0.527
137 HA ASN 23 HA ASN 23 -3.225 -8.396 -0.061
138 HB2 ASN 23 1HB ASN 23 -1.154 -9.373 -1.264
139 HB3 ASN 23 2HB ASN 23 -0.575 -9.760 0.354
140 HD21 ASN 23 1HD2 ASN 23 -2.497 -10.743 1.726
141 HD22 ASN 23 2HD2 ASN 23 -3.283 -12.077 0.959
142 H THR 24 H THR 24 -0.374 -7.754 1.938
143 HA THR 24 HA THR 24 -1.878 -8.649 4.302
144 HB THR 24 HB THR 24 0.285 -8.737 5.468
145 HG1 THR 24 HG1 THR 24 1.300 -7.096 4.108
146 HG21 THR 24 3HG2 THR 24 1.272 -10.623 4.203
147 HG22 THR 24 1HG2 THR 24 0.226 -10.225 2.840
148 HG23 THR 24 2HG2 THR 24 -0.479 -10.755 4.367
149 H LYS 25 H LYS 25 -1.402 -7.394 6.331
150 HA LYS 25 HA LYS 25 -1.864 -4.585 5.801
151 HB2 LYS 25 1HB LYS 25 -3.195 -5.815 7.490
152 HB3 LYS 25 2HB LYS 25 -1.734 -6.063 8.436
153 HG2 LYS 25 1HG LYS 25 -1.548 -3.771 8.941
154 HG3 LYS 25 2HG LYS 25 -2.735 -3.327 7.713
155 HD2 LYS 25 1HD LYS 25 -4.355 -4.801 9.098
156 HD3 LYS 25 2HD LYS 25 -3.166 -4.604 10.388
157 HE2 LYS 25 1HE LYS 25 -4.832 -2.905 10.642
158 HE3 LYS 25 2HE LYS 25 -3.346 -2.138 10.083
159 HZ1 LYS 25 3HZ LYS 25 -4.502 -2.596 7.760
160 HZ2 LYS 25 1HZ LYS 25 -4.794 -1.188 8.651
161 HZ3 LYS 25 2HZ LYS 25 -5.896 -2.469 8.710
162 H SER 26 H SER 26 0.433 -6.460 7.782
163 HA SER 26 HA SER 26 2.050 -4.482 8.721
164 HB2 SER 26 1HB SER 26 2.255 -7.015 9.057
165 HB3 SER 26 2HB SER 26 3.216 -7.018 7.578
166 HG SER 26 HG SER 26 4.780 -5.899 8.567
167 H ASN 27 H ASN 27 1.951 -5.766 5.458
168 HA ASN 27 HA ASN 27 4.317 -4.541 4.511
169 HB2 ASN 27 1HB ASN 27 3.049 -6.422 3.395
170 HB3 ASN 27 2HB ASN 27 1.876 -5.221 2.865
171 HD21 ASN 27 1HD2 ASN 27 3.339 -6.827 1.123
172 HD22 ASN 27 2HD2 ASN 27 4.401 -5.819 0.205
173 H LEU 28 H LEU 28 0.920 -3.530 4.477
174 HA LEU 28 HA LEU 28 1.330 -1.132 3.037
175 HB2 LEU 28 1HB LEU 28 -0.865 -2.002 3.135
176 HB3 LEU 28 2HB LEU 28 -0.839 -2.065 4.896
177 HG LEU 28 HG LEU 28 -0.816 0.437 4.904
178 HD11 LEU 28 1HD1 LEU 28 -0.575 1.606 3.037
179 HD12 LEU 28 2HD1 LEU 28 -1.929 0.767 2.280
180 HD13 LEU 28 3HD1 LEU 28 -0.303 0.093 2.173
181 HD21 LEU 28 3HD2 LEU 28 -3.084 -1.156 3.770
182 HD22 LEU 28 1HD2 LEU 28 -3.243 0.581 4.034
183 HD23 LEU 28 2HD2 LEU 28 -2.888 -0.488 5.392
184 H MET 29 H MET 29 0.693 -1.599 6.520
185 HA MET 29 HA MET 29 1.050 0.946 7.424
186 HB2 MET 29 1HB MET 29 1.421 0.061 9.559
187 HB3 MET 29 2HB MET 29 0.506 -1.196 8.738
188 HG2 MET 29 1HG MET 29 2.472 -2.501 8.391
189 HG3 MET 29 2HG MET 29 3.502 -1.193 8.970
190 HE1 MET 29 3HE MET 29 0.086 -2.613 11.114
191 HE2 MET 29 1HE MET 29 0.628 -3.413 9.638
192 HE3 MET 29 2HE MET 29 0.954 -4.145 11.209
193 H VAL 30 H VAL 30 3.584 -1.414 6.696
194 HA VAL 30 HA VAL 30 5.712 0.347 7.490
195 HB VAL 30 HB VAL 30 5.752 -2.253 5.954
196 HG11 VAL 30 1HG1 VAL 30 7.789 -1.579 5.299
197 HG12 VAL 30 2HG1 VAL 30 7.857 -0.288 6.499
198 HG13 VAL 30 3HG1 VAL 30 8.263 -1.942 6.958
199 HG21 VAL 30 3HG2 VAL 30 5.436 -1.661 8.704
200 HG22 VAL 30 1HG2 VAL 30 5.620 -3.239 7.939
201 HG23 VAL 30 2HG2 VAL 30 7.043 -2.356 8.492
202 H HIS 31 H HIS 31 3.971 -0.343 4.565
203 HA HIS 31 HA HIS 31 5.898 0.787 2.776
204 HB2 HIS 31 1HB HIS 31 4.494 -0.695 1.682
205 HB3 HIS 31 2HB HIS 31 3.063 -0.141 2.546
206 HD1 HIS 31 HD1 HIS 31 5.399 0.997 -0.213
207 HD2 HIS 31 HD2 HIS 31 1.548 1.679 1.192
208 HE1 HIS 31 HE1 HIS 31 4.311 2.481 -1.927
209 H GLN 32 H GLN 32 3.510 2.061 4.867
210 HA GLN 32 HA GLN 32 3.114 4.523 3.422
211 HB2 GLN 32 1HB GLN 32 2.360 3.722 6.238
212 HB3 GLN 32 2HB GLN 32 1.879 5.225 5.462
213 HG2 GLN 32 1HG GLN 32 0.841 3.740 3.656
214 HG3 GLN 32 2HG GLN 32 1.027 2.429 4.819
215 HE21 GLN 32 1HE2 GLN 32 -1.427 3.375 3.780
216 HE22 GLN 32 2HE2 GLN 32 -2.347 4.014 5.095
217 H ARG 33 H ARG 33 4.880 3.508 6.326
218 HA ARG 33 HA ARG 33 5.871 6.033 7.042
219 HB2 ARG 33 1HB ARG 33 7.555 4.800 8.342
220 HB3 ARG 33 2HB ARG 33 5.943 4.135 8.567
221 HG2 ARG 33 1HG ARG 33 6.424 2.256 7.223
222 HG3 ARG 33 2HG ARG 33 7.909 2.986 6.610
223 HD2 ARG 33 1HD ARG 33 8.682 2.989 9.056
224 HD3 ARG 33 2HD ARG 33 7.349 1.870 9.338
225 HE ARG 33 HE ARG 33 8.541 0.226 8.270
226 HH11 ARG 33 1HH1 ARG 33 10.013 3.318 7.643
227 HH12 ARG 33 2HH1 ARG 33 11.422 2.642 6.896
228 HH21 ARG 33 1HH2 ARG 33 10.391 -0.676 7.288
229 HH22 ARG 33 2HH2 ARG 33 11.636 0.370 6.693
230 H THR 34 H THR 34 7.008 3.641 4.745
231 HA THR 34 HA THR 34 9.590 4.628 4.303
232 HB THR 34 HB THR 34 9.391 3.549 2.038
233 HG1 THR 34 HG1 THR 34 6.902 2.532 2.891
234 HG21 THR 34 3HG2 THR 34 9.734 2.412 4.468
235 HG22 THR 34 1HG2 THR 34 9.830 1.526 2.947
236 HG23 THR 34 2HG2 THR 34 8.337 1.508 3.886
237 H HIS 35 H HIS 35 6.525 5.403 2.682
238 HA HIS 35 HA HIS 35 7.178 6.979 0.634
239 HB2 HIS 35 1HB HIS 35 5.070 7.263 2.722
240 HB3 HIS 35 2HB HIS 35 5.298 8.601 1.599
241 HD1 HIS 35 HD1 HIS 35 5.806 7.045 -0.994
242 HD2 HIS 35 HD2 HIS 35 2.821 6.096 1.736
243 HE1 HIS 35 HE1 HIS 35 4.082 5.763 -2.301
244 H THR 36 H THR 36 7.053 8.244 3.968
245 HA THR 36 HA THR 36 8.407 10.670 3.178
246 HB THR 36 HB THR 36 6.654 10.717 4.918
247 HG1 THR 36 HG1 THR 36 9.288 11.478 5.687
248 HG21 THR 36 3HG2 THR 36 8.621 8.982 6.390
249 HG22 THR 36 1HG2 THR 36 6.911 8.684 6.082
250 HG23 THR 36 2HG2 THR 36 7.396 9.931 7.231
251 H GLY 37 H GLY 37 10.430 11.381 4.002
252 HA2 GLY 37 1HA GLY 37 12.237 10.376 5.649
253 HA3 GLY 37 2HA GLY 37 12.315 9.179 4.365
254 H GLU 38 H GLU 38 13.983 11.622 5.513
255 HA GLU 38 HA GLU 38 14.757 12.630 2.853
256 HB2 GLU 38 1HB GLU 38 13.743 14.306 4.470
257 HB3 GLU 38 2HB GLU 38 15.179 14.086 5.460
258 HG2 GLU 38 1HG GLU 38 15.548 16.022 4.177
259 HG3 GLU 38 2HG GLU 38 16.535 14.754 3.452
260 H SER 39 H SER 39 16.292 11.013 2.505
261 HA SER 39 HA SER 39 18.255 10.205 4.335
262 HB2 SER 39 1HB SER 39 18.465 10.243 1.315
263 HB3 SER 39 2HB SER 39 19.421 9.253 2.417
264 HG SER 39 HG SER 39 17.874 7.861 2.081
265 H GLY 40 H GLY 40 19.841 11.348 5.211
266 HA2 GLY 40 1HA GLY 40 21.317 13.250 3.536
267 HA3 GLY 40 2HA GLY 40 20.610 13.841 5.034
268 HA PRO 41 HA PRO 41 24.161 10.684 6.096
269 HB2 PRO 41 1HB PRO 41 26.011 10.388 4.132
270 HB3 PRO 41 2HB PRO 41 24.604 9.331 4.292
271 HG2 PRO 41 1HG PRO 41 25.017 11.671 2.472
272 HG3 PRO 41 2HG PRO 41 24.293 10.092 2.117
273 HD2 PRO 41 1HD PRO 41 22.804 12.305 2.584
274 HD3 PRO 41 2HD PRO 41 22.262 10.676 3.035
275 H SER 42 H SER 42 25.549 11.675 7.409
276 HA SER 42 HA SER 42 27.189 13.874 6.355
277 HB2 SER 42 1HB SER 42 26.739 15.272 8.216
278 HB3 SER 42 2HB SER 42 25.164 14.667 7.703
279 HG SER 42 HG SER 42 26.654 14.063 9.988
280 H SER 43 H SER 43 29.277 13.853 6.974
281 HA SER 43 HA SER 43 31.229 13.166 7.921
282 HB2 SER 43 1HB SER 43 30.037 13.789 10.044
283 HB3 SER 43 2HB SER 43 29.534 12.105 10.192
284 HG SER 43 HG SER 43 31.677 13.042 11.165
285 H GLY 44 H GLY 44 30.090 11.512 6.018
286 HA2 GLY 44 1HA GLY 44 31.216 8.943 6.836
287 HA3 GLY 44 2HA GLY 44 29.544 8.942 6.295
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -29.785 2.755 -12.876
2 HA2 GLY 1 1HA GLY 1 -30.320 0.490 -13.143
3 HA3 GLY 1 2HA GLY 1 -31.605 0.947 -14.251
4 H SER 2 H SER 2 -28.048 1.052 -14.043
5 HA SER 2 HA SER 2 -27.764 0.965 -16.899
6 HB2 SER 2 1HB SER 2 -25.844 0.898 -14.585
7 HB3 SER 2 2HB SER 2 -25.287 0.563 -16.224
8 HG SER 2 HG SER 2 -26.385 2.641 -16.744
9 H SER 3 H SER 3 -27.339 -0.744 -18.191
10 HA SER 3 HA SER 3 -27.608 -3.395 -16.996
11 HB2 SER 3 1HB SER 3 -29.027 -2.688 -18.955
12 HB3 SER 3 2HB SER 3 -27.559 -2.675 -19.933
13 HG SER 3 HG SER 3 -28.939 -4.679 -19.839
14 H GLY 4 H GLY 4 -25.971 -4.788 -16.801
15 HA2 GLY 4 1HA GLY 4 -23.980 -5.614 -18.250
16 HA3 GLY 4 2HA GLY 4 -23.371 -3.999 -17.921
17 H SER 5 H SER 5 -23.664 -7.192 -16.777
18 HA SER 5 HA SER 5 -23.378 -6.826 -14.012
19 HB2 SER 5 1HB SER 5 -22.538 -9.142 -13.979
20 HB3 SER 5 2HB SER 5 -23.962 -8.992 -15.009
21 HG SER 5 HG SER 5 -22.794 -9.675 -16.602
22 H SER 6 H SER 6 -21.613 -6.681 -12.669
23 HA SER 6 HA SER 6 -18.985 -6.343 -13.945
24 HB2 SER 6 1HB SER 6 -20.302 -4.510 -11.937
25 HB3 SER 6 2HB SER 6 -18.569 -4.486 -12.260
26 HG SER 6 HG SER 6 -19.187 -3.112 -13.749
27 H GLY 7 H GLY 7 -17.207 -6.287 -12.208
28 HA2 GLY 7 1HA GLY 7 -17.650 -7.515 -9.696
29 HA3 GLY 7 2HA GLY 7 -17.161 -8.729 -10.869
30 H THR 8 H THR 8 -16.037 -6.735 -8.530
31 HA THR 8 HA THR 8 -13.318 -6.833 -9.634
32 HB THR 8 HB THR 8 -14.228 -4.475 -8.002
33 HG1 THR 8 HG1 THR 8 -15.296 -4.909 -10.233
34 HG21 THR 8 3HG2 THR 8 -12.241 -3.750 -9.809
35 HG22 THR 8 1HG2 THR 8 -11.766 -5.355 -9.254
36 HG23 THR 8 2HG2 THR 8 -12.033 -4.061 -8.086
37 H GLY 9 H GLY 9 -11.799 -7.540 -8.240
38 HA2 GLY 9 1HA GLY 9 -12.703 -8.258 -5.548
39 HA3 GLY 9 2HA GLY 9 -11.285 -8.896 -6.369
40 H GLU 10 H GLU 10 -12.531 -5.756 -5.220
41 HA GLU 10 HA GLU 10 -10.102 -4.446 -4.991
42 HB2 GLU 10 1HB GLU 10 -12.765 -4.151 -3.698
43 HB3 GLU 10 2HB GLU 10 -11.414 -3.292 -2.973
44 HG2 GLU 10 1HG GLU 10 -12.288 -3.059 -5.843
45 HG3 GLU 10 2HG GLU 10 -12.659 -1.908 -4.561
46 H LYS 11 H LYS 11 -8.493 -4.366 -3.511
47 HA LYS 11 HA LYS 11 -8.264 -6.551 -1.665
48 HB2 LYS 11 1HB LYS 11 -6.504 -4.311 -2.559
49 HB3 LYS 11 2HB LYS 11 -6.114 -5.130 -1.053
50 HG2 LYS 11 1HG LYS 11 -4.857 -6.206 -2.721
51 HG3 LYS 11 2HG LYS 11 -6.197 -7.294 -2.354
52 HD2 LYS 11 1HD LYS 11 -6.209 -7.320 -4.658
53 HD3 LYS 11 2HD LYS 11 -7.373 -6.037 -4.321
54 HE2 LYS 11 1HE LYS 11 -5.829 -4.350 -4.852
55 HE3 LYS 11 2HE LYS 11 -4.459 -5.455 -4.751
56 HZ1 LYS 11 3HZ LYS 11 -5.428 -6.619 -6.717
57 HZ2 LYS 11 1HZ LYS 11 -4.881 -5.049 -7.030
58 HZ3 LYS 11 2HZ LYS 11 -6.537 -5.351 -6.863
59 HA PRO 12 HA PRO 12 -9.880 -4.606 1.939
60 HB2 PRO 12 1HB PRO 12 -8.588 -6.060 3.832
61 HB3 PRO 12 2HB PRO 12 -9.923 -6.706 2.871
62 HG2 PRO 12 1HG PRO 12 -6.974 -7.072 2.505
63 HG3 PRO 12 2HG PRO 12 -8.274 -8.271 2.378
64 HD2 PRO 12 1HD PRO 12 -7.141 -7.116 0.207
65 HD3 PRO 12 2HD PRO 12 -8.846 -7.612 0.245
66 H TYR 13 H TYR 13 -6.605 -4.479 1.042
67 HA TYR 13 HA TYR 13 -6.088 -2.433 3.098
68 HB2 TYR 13 1HB TYR 13 -3.957 -4.144 1.821
69 HB3 TYR 13 2HB TYR 13 -3.799 -3.088 3.219
70 HD1 TYR 13 HD2 TYR 13 -4.872 -3.741 5.378
71 HD2 TYR 13 HD1 TYR 13 -4.707 -6.387 2.050
72 HE1 TYR 13 HE2 TYR 13 -5.350 -5.637 6.869
73 HE2 TYR 13 HE1 TYR 13 -5.186 -8.290 3.532
74 HH TYR 13 HH TYR 13 -6.460 -8.451 5.967
75 H GLU 14 H GLU 14 -5.592 -0.469 2.366
76 HA GLU 14 HA GLU 14 -4.354 -0.129 -0.243
77 HB2 GLU 14 1HB GLU 14 -7.160 0.630 0.389
78 HB3 GLU 14 2HB GLU 14 -6.211 1.766 -0.559
79 HG2 GLU 14 1HG GLU 14 -6.029 0.337 -2.348
80 HG3 GLU 14 2HG GLU 14 -6.278 -1.102 -1.361
81 H CYS 15 H CYS 15 -3.071 1.644 -0.355
82 HA CYS 15 HA CYS 15 -2.417 2.993 2.060
83 HB2 CYS 15 1HB CYS 15 -0.981 2.459 -0.099
84 HB3 CYS 15 2HB CYS 15 -1.542 4.053 -0.593
85 H ASN 16 H ASN 16 -2.057 5.539 1.772
86 HA ASN 16 HA ASN 16 -4.674 6.649 0.992
87 HB2 ASN 16 1HB ASN 16 -2.853 7.633 3.201
88 HB3 ASN 16 2HB ASN 16 -4.447 8.267 2.799
89 HD21 ASN 16 1HD2 ASN 16 -6.267 6.777 3.016
90 HD22 ASN 16 2HD2 ASN 16 -6.222 5.594 4.274
91 H GLU 17 H GLU 17 -1.196 7.127 1.062
92 HA GLU 17 HA GLU 17 -1.301 9.701 -0.213
93 HB2 GLU 17 1HB GLU 17 1.015 7.807 0.221
94 HB3 GLU 17 2HB GLU 17 1.157 9.455 -0.374
95 HG2 GLU 17 1HG GLU 17 1.616 9.798 1.821
96 HG3 GLU 17 2HG GLU 17 -0.134 10.012 1.849
97 H CYS 18 H CYS 18 -0.289 6.442 -1.232
98 HA CYS 18 HA CYS 18 -0.433 7.331 -4.028
99 HB2 CYS 18 1HB CYS 18 0.882 5.336 -4.560
100 HB3 CYS 18 2HB CYS 18 1.690 6.306 -3.332
101 H GLN 19 H GLN 19 -2.127 5.568 -1.694
102 HA GLN 19 HA GLN 19 -4.004 4.285 -1.752
103 HB2 GLN 19 1HB GLN 19 -4.240 5.239 -4.610
104 HB3 GLN 19 2HB GLN 19 -5.530 4.569 -3.620
105 HG2 GLN 19 1HG GLN 19 -5.995 6.773 -3.386
106 HG3 GLN 19 2HG GLN 19 -4.876 6.578 -2.038
107 HE21 GLN 19 1HE2 GLN 19 -4.194 8.686 -2.031
108 HE22 GLN 19 2HE2 GLN 19 -3.227 9.370 -3.288
109 H LYS 20 H LYS 20 -1.648 2.926 -2.147
110 HA LYS 20 HA LYS 20 -2.102 1.070 -4.358
111 HB2 LYS 20 1HB LYS 20 0.184 2.057 -3.802
112 HB3 LYS 20 2HB LYS 20 0.180 1.012 -2.387
113 HG2 LYS 20 1HG LYS 20 0.130 -0.949 -3.743
114 HG3 LYS 20 2HG LYS 20 -0.129 0.005 -5.205
115 HD2 LYS 20 1HD LYS 20 2.059 0.862 -5.162
116 HD3 LYS 20 2HD LYS 20 2.309 0.368 -3.485
117 HE2 LYS 20 1HE LYS 20 3.499 -1.239 -4.637
118 HE3 LYS 20 2HE LYS 20 1.938 -2.031 -4.420
119 HZ1 LYS 20 3HZ LYS 20 2.765 -2.272 -6.682
120 HZ2 LYS 20 1HZ LYS 20 2.809 -0.591 -6.868
121 HZ3 LYS 20 2HZ LYS 20 1.328 -1.380 -6.658
122 H ALA 21 H ALA 21 -2.359 -1.156 -4.067
123 HA ALA 21 HA ALA 21 -3.624 -1.882 -1.549
124 HB1 ALA 21 3HB ALA 21 -3.437 -3.289 -4.205
125 HB2 ALA 21 1HB ALA 21 -4.223 -3.978 -2.783
126 HB3 ALA 21 2HB ALA 21 -4.844 -2.491 -3.502
127 H PHE 22 H PHE 22 -3.018 -3.658 -0.283
128 HA PHE 22 HA PHE 22 -0.397 -4.849 -0.849
129 HB2 PHE 22 1HB PHE 22 -1.226 -3.582 1.769
130 HB3 PHE 22 2HB PHE 22 0.206 -4.585 1.562
131 HD1 PHE 22 HD2 PHE 22 -1.390 -1.416 0.539
132 HD2 PHE 22 HD1 PHE 22 2.200 -3.699 0.683
133 HE1 PHE 22 HE2 PHE 22 -0.104 0.569 -0.139
134 HE2 PHE 22 HE1 PHE 22 3.491 -1.717 0.006
135 HZ PHE 22 HZ PHE 22 2.340 0.420 -0.407
136 H ASN 23 H ASN 23 -0.294 -6.981 -0.464
137 HA ASN 23 HA ASN 23 -2.457 -8.599 -0.175
138 HB2 ASN 23 1HB ASN 23 -0.743 -10.262 0.896
139 HB3 ASN 23 2HB ASN 23 -0.518 -9.729 -0.768
140 HD21 ASN 23 1HD2 ASN 23 0.688 -9.634 2.456
141 HD22 ASN 23 2HD2 ASN 23 2.167 -8.812 2.108
142 H THR 24 H THR 24 -0.295 -7.662 2.502
143 HA THR 24 HA THR 24 -2.532 -8.175 4.353
144 HB THR 24 HB THR 24 -0.814 -8.686 6.091
145 HG1 THR 24 HG1 THR 24 0.877 -8.301 3.866
146 HG21 THR 24 3HG2 THR 24 -1.916 -10.533 5.035
147 HG22 THR 24 1HG2 THR 24 -0.204 -10.932 5.165
148 HG23 THR 24 2HG2 THR 24 -0.873 -10.414 3.618
149 H LYS 25 H LYS 25 -2.055 -7.024 6.548
150 HA LYS 25 HA LYS 25 -2.033 -4.233 6.023
151 HB2 LYS 25 1HB LYS 25 -3.299 -5.407 7.871
152 HB3 LYS 25 2HB LYS 25 -1.767 -5.561 8.721
153 HG2 LYS 25 1HG LYS 25 -2.528 -3.653 9.681
154 HG3 LYS 25 2HG LYS 25 -1.686 -2.950 8.298
155 HD2 LYS 25 1HD LYS 25 -3.689 -1.871 8.104
156 HD3 LYS 25 2HD LYS 25 -4.047 -3.312 7.149
157 HE2 LYS 25 1HE LYS 25 -4.900 -2.635 9.942
158 HE3 LYS 25 2HE LYS 25 -5.894 -3.094 8.560
159 HZ1 LYS 25 3HZ LYS 25 -3.956 -4.958 9.798
160 HZ2 LYS 25 1HZ LYS 25 -5.230 -5.321 8.746
161 HZ3 LYS 25 2HZ LYS 25 -5.556 -4.835 10.333
162 H SER 26 H SER 26 0.159 -6.223 8.019
163 HA SER 26 HA SER 26 2.058 -4.516 8.778
164 HB2 SER 26 1HB SER 26 2.362 -6.836 9.253
165 HB3 SER 26 2HB SER 26 2.471 -7.241 7.540
166 HG SER 26 HG SER 26 4.500 -7.019 8.873
167 H ASN 27 H ASN 27 2.079 -6.005 5.537
168 HA ASN 27 HA ASN 27 4.271 -4.717 4.477
169 HB2 ASN 27 1HB ASN 27 2.708 -6.520 3.446
170 HB3 ASN 27 2HB ASN 27 1.805 -5.146 2.814
171 HD21 ASN 27 1HD2 ASN 27 3.606 -7.324 1.656
172 HD22 ASN 27 2HD2 ASN 27 4.667 -6.454 0.606
173 H LEU 28 H LEU 28 0.886 -3.618 4.384
174 HA LEU 28 HA LEU 28 1.383 -1.192 3.053
175 HB2 LEU 28 1HB LEU 28 -0.835 -1.831 3.048
176 HB3 LEU 28 2HB LEU 28 -0.828 -2.242 4.761
177 HG LEU 28 HG LEU 28 -0.747 0.195 5.278
178 HD11 LEU 28 1HD1 LEU 28 -0.415 0.335 2.408
179 HD12 LEU 28 2HD1 LEU 28 -0.153 1.571 3.637
180 HD13 LEU 28 3HD1 LEU 28 -1.763 1.328 2.962
181 HD21 LEU 28 3HD2 LEU 28 -2.850 -0.974 5.379
182 HD22 LEU 28 1HD2 LEU 28 -3.068 -0.812 3.636
183 HD23 LEU 28 2HD2 LEU 28 -3.110 0.619 4.667
184 H MET 29 H MET 29 1.172 -1.970 6.508
185 HA MET 29 HA MET 29 1.393 0.592 7.552
186 HB2 MET 29 1HB MET 29 2.384 -2.055 8.609
187 HB3 MET 29 2HB MET 29 2.457 -0.566 9.542
188 HG2 MET 29 1HG MET 29 -0.115 -1.574 8.382
189 HG3 MET 29 2HG MET 29 0.489 -2.135 9.940
190 HE1 MET 29 3HE MET 29 -1.981 -0.853 11.274
191 HE2 MET 29 1HE MET 29 -0.408 -1.489 11.756
192 HE3 MET 29 2HE MET 29 -0.918 0.108 12.303
193 H VAL 30 H VAL 30 4.045 -1.738 7.017
194 HA VAL 30 HA VAL 30 6.136 0.010 7.652
195 HB VAL 30 HB VAL 30 6.286 -2.258 5.665
196 HG11 VAL 30 1HG1 VAL 30 8.563 -2.243 5.952
197 HG12 VAL 30 2HG1 VAL 30 8.206 -0.520 6.088
198 HG13 VAL 30 3HG1 VAL 30 8.468 -1.485 7.541
199 HG21 VAL 30 3HG2 VAL 30 5.568 -2.348 8.410
200 HG22 VAL 30 1HG2 VAL 30 5.854 -3.691 7.303
201 HG23 VAL 30 2HG2 VAL 30 7.187 -3.027 8.247
202 H HIS 31 H HIS 31 4.289 -0.400 4.725
203 HA HIS 31 HA HIS 31 6.073 0.934 2.967
204 HB2 HIS 31 1HB HIS 31 4.443 -0.426 1.938
205 HB3 HIS 31 2HB HIS 31 3.130 0.308 2.853
206 HD1 HIS 31 HD1 HIS 31 5.485 1.068 0.000
207 HD2 HIS 31 HD2 HIS 31 1.946 2.478 1.658
208 HE1 HIS 31 HE1 HIS 31 4.615 2.777 -1.626
209 H GLN 32 H GLN 32 3.304 2.013 4.893
210 HA GLN 32 HA GLN 32 2.984 4.582 3.992
211 HB2 GLN 32 1HB GLN 32 2.796 3.478 6.792
212 HB3 GLN 32 2HB GLN 32 2.336 5.127 6.391
213 HG2 GLN 32 1HG GLN 32 0.781 4.097 4.660
214 HG3 GLN 32 2HG GLN 32 1.076 2.565 5.481
215 HE21 GLN 32 1HE2 GLN 32 -1.061 2.368 6.121
216 HE22 GLN 32 2HE2 GLN 32 -1.748 3.349 7.366
217 H ARG 33 H ARG 33 5.599 3.275 5.874
218 HA ARG 33 HA ARG 33 6.652 5.759 6.784
219 HB2 ARG 33 1HB ARG 33 7.948 3.048 6.462
220 HB3 ARG 33 2HB ARG 33 8.711 4.424 7.247
221 HG2 ARG 33 1HG ARG 33 7.784 2.904 8.888
222 HG3 ARG 33 2HG ARG 33 6.932 4.449 8.925
223 HD2 ARG 33 1HD ARG 33 5.052 3.554 7.821
224 HD3 ARG 33 2HD ARG 33 5.931 2.105 7.335
225 HE ARG 33 HE ARG 33 5.502 1.187 9.395
226 HH11 ARG 33 1HH1 ARG 33 4.761 4.588 9.460
227 HH12 ARG 33 2HH1 ARG 33 3.997 4.524 11.014
228 HH21 ARG 33 1HH2 ARG 33 4.498 1.090 11.441
229 HH22 ARG 33 2HH2 ARG 33 3.849 2.535 12.140
230 H THR 34 H THR 34 7.472 3.603 4.083
231 HA THR 34 HA THR 34 9.657 4.918 3.047
232 HB THR 34 HB THR 34 8.645 2.753 2.208
233 HG1 THR 34 HG1 THR 34 9.895 3.041 0.517
234 HG21 THR 34 3HG2 THR 34 6.619 2.760 1.286
235 HG22 THR 34 1HG2 THR 34 7.182 3.868 0.036
236 HG23 THR 34 2HG2 THR 34 6.509 4.501 1.538
237 H HIS 35 H HIS 35 6.442 6.040 3.241
238 HA HIS 35 HA HIS 35 6.592 7.880 1.033
239 HB2 HIS 35 1HB HIS 35 4.611 7.252 3.168
240 HB3 HIS 35 2HB HIS 35 4.514 8.833 2.398
241 HD1 HIS 35 HD1 HIS 35 5.064 8.130 -0.502
242 HD2 HIS 35 HD2 HIS 35 2.620 5.857 1.972
243 HE1 HIS 35 HE1 HIS 35 3.540 6.859 -2.046
244 H THR 36 H THR 36 6.202 8.431 4.538
245 HA THR 36 HA THR 36 7.163 11.128 4.314
246 HB THR 36 HB THR 36 7.002 11.130 6.815
247 HG1 THR 36 HG1 THR 36 7.373 8.863 7.107
248 HG21 THR 36 3HG2 THR 36 4.421 10.001 5.893
249 HG22 THR 36 1HG2 THR 36 5.043 11.395 5.011
250 HG23 THR 36 2HG2 THR 36 4.758 11.506 6.748
251 H GLY 37 H GLY 37 9.270 11.385 3.839
252 HA2 GLY 37 1HA GLY 37 11.226 10.579 5.791
253 HA3 GLY 37 2HA GLY 37 11.392 9.730 4.261
254 H GLU 38 H GLU 38 13.348 10.621 3.689
255 HA GLU 38 HA GLU 38 13.256 13.477 2.988
256 HB2 GLU 38 1HB GLU 38 15.667 12.018 4.082
257 HB3 GLU 38 2HB GLU 38 15.605 13.709 3.606
258 HG2 GLU 38 1HG GLU 38 13.936 14.112 5.378
259 HG3 GLU 38 2HG GLU 38 14.112 12.433 5.885
260 H SER 39 H SER 39 15.322 10.605 2.512
261 HA SER 39 HA SER 39 15.390 11.261 -0.361
262 HB2 SER 39 1HB SER 39 17.626 10.415 -0.487
263 HB3 SER 39 2HB SER 39 17.574 11.509 0.895
264 HG SER 39 HG SER 39 17.545 8.677 0.909
265 H GLY 40 H GLY 40 14.358 9.847 -1.596
266 HA2 GLY 40 1HA GLY 40 13.430 7.342 -0.576
267 HA3 GLY 40 2HA GLY 40 13.235 7.933 -2.220
268 HA PRO 41 HA PRO 41 16.103 4.335 -2.430
269 HB2 PRO 41 1HB PRO 41 15.038 3.344 -4.723
270 HB3 PRO 41 2HB PRO 41 14.386 2.974 -3.122
271 HG2 PRO 41 1HG PRO 41 13.437 4.974 -5.138
272 HG3 PRO 41 2HG PRO 41 12.490 3.858 -4.138
273 HD2 PRO 41 1HD PRO 41 12.782 6.477 -3.518
274 HD3 PRO 41 2HD PRO 41 12.614 5.216 -2.280
275 H SER 42 H SER 42 15.693 7.197 -4.008
276 HA SER 42 HA SER 42 16.795 8.334 -5.650
277 HB2 SER 42 1HB SER 42 19.109 8.294 -5.456
278 HB3 SER 42 2HB SER 42 18.621 7.577 -3.921
279 HG SER 42 HG SER 42 18.810 5.504 -5.182
280 H SER 43 H SER 43 15.173 6.397 -6.706
281 HA SER 43 HA SER 43 16.779 5.218 -8.875
282 HB2 SER 43 1HB SER 43 15.397 3.676 -7.397
283 HB3 SER 43 2HB SER 43 13.967 4.421 -8.111
284 HG SER 43 HG SER 43 16.018 3.294 -9.695
285 H GLY 44 H GLY 44 15.657 5.092 -11.008
286 HA2 GLY 44 1HA GLY 44 13.838 7.372 -11.438
287 HA3 GLY 44 2HA GLY 44 15.279 7.189 -12.428
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -12.198 13.310 -20.176
2 HA2 GLY 1 1HA GLY 1 -10.441 12.473 -21.536
3 HA3 GLY 1 2HA GLY 1 -9.932 12.088 -19.898
4 H SER 2 H SER 2 -9.910 9.976 -19.210
5 HA SER 2 HA SER 2 -10.737 7.938 -21.163
6 HB2 SER 2 1HB SER 2 -8.710 6.739 -20.945
7 HB3 SER 2 2HB SER 2 -8.217 8.421 -21.133
8 HG SER 2 HG SER 2 -8.451 7.012 -18.678
9 H SER 3 H SER 3 -10.996 5.773 -20.212
10 HA SER 3 HA SER 3 -11.478 5.769 -17.323
11 HB2 SER 3 1HB SER 3 -13.592 6.267 -18.788
12 HB3 SER 3 2HB SER 3 -13.533 4.538 -19.129
13 HG SER 3 HG SER 3 -13.368 5.432 -16.473
14 H GLY 4 H GLY 4 -11.994 3.499 -16.544
15 HA2 GLY 4 1HA GLY 4 -10.889 1.389 -18.234
16 HA3 GLY 4 2HA GLY 4 -10.021 1.749 -16.749
17 H SER 5 H SER 5 -11.496 1.801 -14.748
18 HA SER 5 HA SER 5 -13.879 0.281 -14.728
19 HB2 SER 5 1HB SER 5 -13.015 -1.746 -13.583
20 HB3 SER 5 2HB SER 5 -12.413 -1.599 -15.234
21 HG SER 5 HG SER 5 -10.877 -0.459 -13.211
22 H SER 6 H SER 6 -14.900 0.386 -12.765
23 HA SER 6 HA SER 6 -13.705 2.173 -10.821
24 HB2 SER 6 1HB SER 6 -16.113 2.333 -11.611
25 HB3 SER 6 2HB SER 6 -16.429 0.874 -10.672
26 HG SER 6 HG SER 6 -16.887 2.634 -9.386
27 H GLY 7 H GLY 7 -12.233 1.187 -9.550
28 HA2 GLY 7 1HA GLY 7 -12.786 -0.230 -7.336
29 HA3 GLY 7 2HA GLY 7 -12.689 -1.498 -8.549
30 H THR 8 H THR 8 -10.883 1.160 -7.072
31 HA THR 8 HA THR 8 -8.425 0.999 -8.139
32 HB THR 8 HB THR 8 -8.920 1.030 -5.155
33 HG1 THR 8 HG1 THR 8 -8.601 3.426 -5.760
34 HG21 THR 8 3HG2 THR 8 -6.517 0.839 -6.446
35 HG22 THR 8 1HG2 THR 8 -6.753 1.550 -4.850
36 HG23 THR 8 2HG2 THR 8 -6.703 2.585 -6.277
37 H GLY 9 H GLY 9 -9.615 -1.221 -5.616
38 HA2 GLY 9 1HA GLY 9 -8.124 -3.407 -6.722
39 HA3 GLY 9 2HA GLY 9 -7.409 -2.799 -5.237
40 H GLU 10 H GLU 10 -8.534 -5.415 -5.699
41 HA GLU 10 HA GLU 10 -11.004 -5.389 -4.138
42 HB2 GLU 10 1HB GLU 10 -9.630 -7.384 -5.880
43 HB3 GLU 10 2HB GLU 10 -10.688 -7.980 -4.608
44 HG2 GLU 10 1HG GLU 10 -12.513 -6.596 -5.524
45 HG3 GLU 10 2HG GLU 10 -11.446 -6.109 -6.839
46 H LYS 11 H LYS 11 -8.751 -4.575 -2.729
47 HA LYS 11 HA LYS 11 -8.419 -6.818 -0.850
48 HB2 LYS 11 1HB LYS 11 -6.368 -5.038 -2.064
49 HB3 LYS 11 2HB LYS 11 -6.158 -5.473 -0.373
50 HG2 LYS 11 1HG LYS 11 -5.745 -7.662 -0.840
51 HG3 LYS 11 2HG LYS 11 -6.733 -7.652 -2.303
52 HD2 LYS 11 1HD LYS 11 -4.269 -5.988 -2.268
53 HD3 LYS 11 2HD LYS 11 -4.085 -7.739 -2.400
54 HE2 LYS 11 1HE LYS 11 -4.190 -7.029 -4.616
55 HE3 LYS 11 2HE LYS 11 -5.832 -7.572 -4.277
56 HZ1 LYS 11 3HZ LYS 11 -6.645 -5.506 -4.481
57 HZ2 LYS 11 1HZ LYS 11 -5.229 -5.205 -5.357
58 HZ3 LYS 11 2HZ LYS 11 -5.320 -4.777 -3.724
59 HA PRO 12 HA PRO 12 -9.991 -4.045 2.185
60 HB2 PRO 12 1HB PRO 12 -8.984 -5.225 4.413
61 HB3 PRO 12 2HB PRO 12 -10.331 -5.905 3.492
62 HG2 PRO 12 1HG PRO 12 -7.430 -6.640 3.428
63 HG3 PRO 12 2HG PRO 12 -8.853 -7.699 3.432
64 HD2 PRO 12 1HD PRO 12 -7.475 -7.118 1.174
65 HD3 PRO 12 2HD PRO 12 -9.225 -7.416 1.175
66 H TYR 13 H TYR 13 -6.714 -4.370 1.457
67 HA TYR 13 HA TYR 13 -5.984 -2.208 3.320
68 HB2 TYR 13 1HB TYR 13 -3.980 -3.927 1.886
69 HB3 TYR 13 2HB TYR 13 -3.780 -3.004 3.371
70 HD1 TYR 13 HD2 TYR 13 -4.843 -3.835 5.480
71 HD2 TYR 13 HD1 TYR 13 -4.735 -6.175 1.928
72 HE1 TYR 13 HE2 TYR 13 -5.319 -5.853 6.802
73 HE2 TYR 13 HE1 TYR 13 -5.213 -8.199 3.240
74 HH TYR 13 HH TYR 13 -4.825 -8.889 5.766
75 H GLU 14 H GLU 14 -5.455 -0.282 2.512
76 HA GLU 14 HA GLU 14 -4.344 -0.001 -0.138
77 HB2 GLU 14 1HB GLU 14 -7.167 0.723 0.490
78 HB3 GLU 14 2HB GLU 14 -6.251 1.801 -0.554
79 HG2 GLU 14 1HG GLU 14 -7.208 0.428 -2.101
80 HG3 GLU 14 2HG GLU 14 -5.679 -0.406 -1.831
81 H CYS 15 H CYS 15 -3.032 1.725 -0.250
82 HA CYS 15 HA CYS 15 -2.472 3.227 2.084
83 HB2 CYS 15 1HB CYS 15 -0.992 2.616 -0.028
84 HB3 CYS 15 2HB CYS 15 -1.569 4.179 -0.599
85 H ASN 16 H ASN 16 -2.151 5.765 1.664
86 HA ASN 16 HA ASN 16 -4.776 6.781 0.793
87 HB2 ASN 16 1HB ASN 16 -4.605 6.976 3.189
88 HB3 ASN 16 2HB ASN 16 -3.010 7.712 3.062
89 HD21 ASN 16 1HD2 ASN 16 -5.311 8.770 4.388
90 HD22 ASN 16 2HD2 ASN 16 -5.699 10.266 3.617
91 H GLU 17 H GLU 17 -1.333 7.561 1.117
92 HA GLU 17 HA GLU 17 -1.505 9.961 -0.421
93 HB2 GLU 17 1HB GLU 17 0.680 8.326 0.764
94 HB3 GLU 17 2HB GLU 17 1.105 9.414 -0.549
95 HG2 GLU 17 1HG GLU 17 -0.504 10.461 1.723
96 HG3 GLU 17 2HG GLU 17 1.224 10.193 1.944
97 H CYS 18 H CYS 18 -0.182 6.724 -1.105
98 HA CYS 18 HA CYS 18 -0.077 7.383 -3.951
99 HB2 CYS 18 1HB CYS 18 1.357 5.534 -4.224
100 HB3 CYS 18 2HB CYS 18 1.839 6.243 -2.686
101 H GLN 19 H GLN 19 -2.100 5.844 -1.718
102 HA GLN 19 HA GLN 19 -3.944 4.518 -1.891
103 HB2 GLN 19 1HB GLN 19 -4.079 5.528 -4.732
104 HB3 GLN 19 2HB GLN 19 -5.413 4.963 -3.735
105 HG2 GLN 19 1HG GLN 19 -4.606 6.940 -2.177
106 HG3 GLN 19 2HG GLN 19 -3.984 7.559 -3.706
107 HE21 GLN 19 1HE2 GLN 19 -6.705 7.156 -1.732
108 HE22 GLN 19 2HE2 GLN 19 -7.893 7.770 -2.827
109 H LYS 20 H LYS 20 -1.816 2.974 -2.063
110 HA LYS 20 HA LYS 20 -2.265 1.213 -4.381
111 HB2 LYS 20 1HB LYS 20 0.042 2.218 -4.036
112 HB3 LYS 20 2HB LYS 20 0.165 1.221 -2.593
113 HG2 LYS 20 1HG LYS 20 -0.104 -0.789 -3.953
114 HG3 LYS 20 2HG LYS 20 -0.232 0.210 -5.403
115 HD2 LYS 20 1HD LYS 20 2.001 0.790 -5.360
116 HD3 LYS 20 2HD LYS 20 2.149 0.506 -3.624
117 HE2 LYS 20 1HE LYS 20 1.761 -1.955 -4.168
118 HE3 LYS 20 2HE LYS 20 2.046 -1.511 -5.850
119 HZ1 LYS 20 3HZ LYS 20 4.196 -1.747 -5.428
120 HZ2 LYS 20 1HZ LYS 20 3.928 -1.936 -3.769
121 HZ3 LYS 20 2HZ LYS 20 4.116 -0.388 -4.424
122 H ALA 21 H ALA 21 -3.129 -0.727 -4.033
123 HA ALA 21 HA ALA 21 -3.811 -1.540 -1.359
124 HB1 ALA 21 3HB ALA 21 -4.257 -2.932 -3.996
125 HB2 ALA 21 1HB ALA 21 -4.959 -3.408 -2.450
126 HB3 ALA 21 2HB ALA 21 -5.394 -1.861 -3.177
127 H PHE 22 H PHE 22 -3.216 -3.503 -0.351
128 HA PHE 22 HA PHE 22 -0.808 -4.802 -1.427
129 HB2 PHE 22 1HB PHE 22 -1.231 -3.816 1.398
130 HB3 PHE 22 2HB PHE 22 0.054 -4.927 0.937
131 HD1 PHE 22 HD2 PHE 22 -1.325 -1.570 0.122
132 HD2 PHE 22 HD1 PHE 22 2.097 -4.097 0.248
133 HE1 PHE 22 HE2 PHE 22 0.103 0.341 -0.479
134 HE2 PHE 22 HE1 PHE 22 3.532 -2.189 -0.352
135 HZ PHE 22 HZ PHE 22 2.535 0.033 -0.717
136 H ASN 23 H ASN 23 -0.317 -6.838 -0.016
137 HA ASN 23 HA ASN 23 -2.661 -8.495 -0.170
138 HB2 ASN 23 1HB ASN 23 -0.450 -9.324 -0.880
139 HB3 ASN 23 2HB ASN 23 0.135 -9.168 0.773
140 HD21 ASN 23 1HD2 ASN 23 0.100 -10.943 1.933
141 HD22 ASN 23 2HD2 ASN 23 -0.931 -12.307 1.682
142 H THR 24 H THR 24 -0.427 -7.543 2.433
143 HA THR 24 HA THR 24 -2.583 -8.111 4.360
144 HB THR 24 HB THR 24 -0.850 -8.757 6.013
145 HG1 THR 24 HG1 THR 24 1.225 -9.394 4.779
146 HG21 THR 24 3HG2 THR 24 -0.111 -10.892 4.616
147 HG22 THR 24 1HG2 THR 24 -1.334 -10.278 3.505
148 HG23 THR 24 2HG2 THR 24 -1.771 -10.671 5.168
149 H LYS 25 H LYS 25 -2.195 -6.976 6.494
150 HA LYS 25 HA LYS 25 -1.938 -4.189 6.019
151 HB2 LYS 25 1HB LYS 25 -3.442 -5.068 7.732
152 HB3 LYS 25 2HB LYS 25 -2.074 -5.726 8.620
153 HG2 LYS 25 1HG LYS 25 -2.552 -3.783 9.772
154 HG3 LYS 25 2HG LYS 25 -1.241 -3.286 8.699
155 HD2 LYS 25 1HD LYS 25 -2.700 -1.572 8.323
156 HD3 LYS 25 2HD LYS 25 -3.270 -2.705 7.096
157 HE2 LYS 25 1HE LYS 25 -4.418 -2.504 9.876
158 HE3 LYS 25 2HE LYS 25 -5.077 -1.661 8.475
159 HZ1 LYS 25 3HZ LYS 25 -5.210 -3.956 7.426
160 HZ2 LYS 25 1HZ LYS 25 -6.327 -3.603 8.648
161 HZ3 LYS 25 2HZ LYS 25 -4.981 -4.570 8.986
162 H SER 26 H SER 26 -0.000 -6.387 8.058
163 HA SER 26 HA SER 26 1.967 -4.783 8.947
164 HB2 SER 26 1HB SER 26 1.977 -7.611 8.005
165 HB3 SER 26 2HB SER 26 3.534 -6.852 8.332
166 HG SER 26 HG SER 26 3.088 -7.407 10.315
167 H ASN 27 H ASN 27 1.860 -6.195 5.690
168 HA ASN 27 HA ASN 27 4.286 -5.136 4.766
169 HB2 ASN 27 1HB ASN 27 1.808 -5.716 3.129
170 HB3 ASN 27 2HB ASN 27 3.462 -5.619 2.531
171 HD21 ASN 27 1HD2 ASN 27 2.232 -7.820 1.880
172 HD22 ASN 27 2HD2 ASN 27 2.728 -9.165 2.843
173 H LEU 28 H LEU 28 0.967 -3.902 4.391
174 HA LEU 28 HA LEU 28 1.597 -1.581 2.978
175 HB2 LEU 28 1HB LEU 28 -0.657 -2.153 3.033
176 HB3 LEU 28 2HB LEU 28 -0.661 -2.351 4.784
177 HG LEU 28 HG LEU 28 -0.366 0.162 4.931
178 HD11 LEU 28 1HD1 LEU 28 -0.667 -0.190 1.999
179 HD12 LEU 28 2HD1 LEU 28 0.296 0.973 2.908
180 HD13 LEU 28 3HD1 LEU 28 -1.446 1.201 2.755
181 HD21 LEU 28 3HD2 LEU 28 -2.842 -1.127 3.818
182 HD22 LEU 28 1HD2 LEU 28 -2.803 0.562 4.326
183 HD23 LEU 28 2HD2 LEU 28 -2.473 -0.717 5.494
184 H MET 29 H MET 29 1.207 -2.052 6.484
185 HA MET 29 HA MET 29 1.585 0.504 7.388
186 HB2 MET 29 1HB MET 29 2.515 -2.120 8.542
187 HB3 MET 29 2HB MET 29 2.708 -0.597 9.399
188 HG2 MET 29 1HG MET 29 0.048 -1.572 8.411
189 HG3 MET 29 2HG MET 29 0.691 -1.990 9.997
190 HE1 MET 29 3HE MET 29 -0.922 -0.600 11.839
191 HE2 MET 29 1HE MET 29 0.838 -0.702 11.889
192 HE3 MET 29 2HE MET 29 0.036 0.839 12.192
193 H VAL 30 H VAL 30 4.196 -1.892 6.953
194 HA VAL 30 HA VAL 30 6.338 -0.207 7.477
195 HB VAL 30 HB VAL 30 6.251 -2.536 5.554
196 HG11 VAL 30 1HG1 VAL 30 8.436 -0.781 6.491
197 HG12 VAL 30 2HG1 VAL 30 8.775 -2.512 6.446
198 HG13 VAL 30 3HG1 VAL 30 8.265 -1.674 4.980
199 HG21 VAL 30 3HG2 VAL 30 5.625 -2.787 8.077
200 HG22 VAL 30 1HG2 VAL 30 6.718 -3.945 7.318
201 HG23 VAL 30 2HG2 VAL 30 7.366 -2.648 8.322
202 H HIS 31 H HIS 31 4.500 -0.662 4.519
203 HA HIS 31 HA HIS 31 6.256 0.756 2.804
204 HB2 HIS 31 1HB HIS 31 4.758 -0.594 1.649
205 HB3 HIS 31 2HB HIS 31 3.392 -0.109 2.649
206 HD1 HIS 31 HD1 HIS 31 5.585 1.240 -0.126
207 HD2 HIS 31 HD2 HIS 31 1.874 1.915 1.615
208 HE1 HIS 31 HE1 HIS 31 4.450 2.935 -1.597
209 H GLN 32 H GLN 32 3.084 1.747 4.109
210 HA GLN 32 HA GLN 32 2.865 4.293 3.361
211 HB2 GLN 32 1HB GLN 32 2.356 3.069 6.053
212 HB3 GLN 32 2HB GLN 32 2.042 4.778 5.779
213 HG2 GLN 32 1HG GLN 32 0.904 2.823 3.859
214 HG3 GLN 32 2HG GLN 32 0.176 2.944 5.460
215 HE21 GLN 32 1HE2 GLN 32 -1.736 3.794 4.689
216 HE22 GLN 32 2HE2 GLN 32 -1.860 5.402 4.070
217 H ARG 33 H ARG 33 5.096 3.161 5.851
218 HA ARG 33 HA ARG 33 6.008 5.612 6.796
219 HB2 ARG 33 1HB ARG 33 7.464 2.983 6.485
220 HB3 ARG 33 2HB ARG 33 8.119 4.364 7.356
221 HG2 ARG 33 1HG ARG 33 5.892 4.231 8.696
222 HG3 ARG 33 2HG ARG 33 5.842 2.580 8.075
223 HD2 ARG 33 1HD ARG 33 8.032 2.134 9.036
224 HD3 ARG 33 2HD ARG 33 8.134 3.797 9.611
225 HE ARG 33 HE ARG 33 5.839 2.840 10.727
226 HH11 ARG 33 1HH1 ARG 33 9.167 1.817 10.703
227 HH12 ARG 33 2HH1 ARG 33 9.088 1.082 12.271
228 HH21 ARG 33 1HH2 ARG 33 5.723 1.876 12.791
229 HH22 ARG 33 2HH2 ARG 33 7.128 1.116 13.457
230 H THR 34 H THR 34 7.390 3.607 4.193
231 HA THR 34 HA THR 34 9.537 4.976 3.377
232 HB THR 34 HB THR 34 9.093 4.343 1.070
233 HG1 THR 34 HG1 THR 34 7.067 3.668 0.424
234 HG21 THR 34 3HG2 THR 34 7.848 2.040 2.421
235 HG22 THR 34 1HG2 THR 34 9.347 2.619 3.144
236 HG23 THR 34 2HG2 THR 34 9.318 2.127 1.451
237 H HIS 35 H HIS 35 6.198 5.950 2.692
238 HA HIS 35 HA HIS 35 6.666 8.112 1.032
239 HB2 HIS 35 1HB HIS 35 4.524 7.619 3.095
240 HB3 HIS 35 2HB HIS 35 4.520 9.050 2.068
241 HD1 HIS 35 HD1 HIS 35 5.270 7.823 -0.623
242 HD2 HIS 35 HD2 HIS 35 2.542 6.118 2.006
243 HE1 HIS 35 HE1 HIS 35 3.806 6.347 -2.038
244 H THR 36 H THR 36 6.539 8.058 4.582
245 HA THR 36 HA THR 36 6.764 10.648 5.277
246 HB THR 36 HB THR 36 8.092 10.013 7.211
247 HG1 THR 36 HG1 THR 36 9.353 8.440 5.689
248 HG21 THR 36 3HG2 THR 36 6.566 8.568 8.184
249 HG22 THR 36 1HG2 THR 36 6.379 7.611 6.715
250 HG23 THR 36 2HG2 THR 36 5.641 9.209 6.826
251 H GLY 37 H GLY 37 9.192 8.772 3.619
252 HA2 GLY 37 1HA GLY 37 11.053 11.056 3.766
253 HA3 GLY 37 2HA GLY 37 11.522 9.397 3.422
254 H GLU 38 H GLU 38 9.524 12.037 2.116
255 HA GLU 38 HA GLU 38 10.534 11.362 -0.553
256 HB2 GLU 38 1HB GLU 38 8.141 10.470 -0.001
257 HB3 GLU 38 2HB GLU 38 7.661 12.148 -0.214
258 HG2 GLU 38 1HG GLU 38 8.678 12.096 -2.474
259 HG3 GLU 38 2HG GLU 38 8.989 10.376 -2.250
260 H SER 39 H SER 39 10.498 13.105 -2.059
261 HA SER 39 HA SER 39 10.194 15.756 -0.807
262 HB2 SER 39 1HB SER 39 12.268 14.961 -2.865
263 HB3 SER 39 2HB SER 39 12.105 16.543 -2.103
264 HG SER 39 HG SER 39 12.294 15.041 -0.083
265 H GLY 40 H GLY 40 9.477 17.459 -2.138
266 HA2 GLY 40 1HA GLY 40 8.999 17.414 -4.856
267 HA3 GLY 40 2HA GLY 40 7.584 16.673 -4.122
268 HA PRO 41 HA PRO 41 7.445 21.438 -4.093
269 HB2 PRO 41 1HB PRO 41 5.703 21.804 -6.142
270 HB3 PRO 41 2HB PRO 41 7.457 21.778 -6.365
271 HG2 PRO 41 1HG PRO 41 5.455 19.601 -6.833
272 HG3 PRO 41 2HG PRO 41 6.836 20.085 -7.834
273 HD2 PRO 41 1HD PRO 41 6.918 17.947 -6.175
274 HD3 PRO 41 2HD PRO 41 8.348 18.940 -6.525
275 H SER 42 H SER 42 5.456 18.747 -3.807
276 HA SER 42 HA SER 42 2.885 19.692 -3.566
277 HB2 SER 42 1HB SER 42 3.857 17.291 -3.240
278 HB3 SER 42 2HB SER 42 3.950 17.748 -1.539
279 HG SER 42 HG SER 42 1.666 17.549 -3.190
280 H SER 43 H SER 43 1.760 20.890 -2.141
281 HA SER 43 HA SER 43 2.612 21.356 0.544
282 HB2 SER 43 1HB SER 43 3.273 23.615 0.443
283 HB3 SER 43 2HB SER 43 4.111 22.864 -0.915
284 HG SER 43 HG SER 43 3.055 24.854 -1.456
285 H GLY 44 H GLY 44 0.810 21.572 1.688
286 HA2 GLY 44 1HA GLY 44 -1.179 23.305 1.668
287 HA3 GLY 44 2HA GLY 44 -1.660 22.306 0.305
Start of MODEL 10
1 H1 GLY 1 H GLY 1 9.251 -0.129 -22.785
2 HA2 GLY 1 1HA GLY 1 7.162 0.921 -24.201
3 HA3 GLY 1 2HA GLY 1 7.294 -0.725 -24.801
4 H SER 2 H SER 2 6.039 1.272 -22.384
5 HA SER 2 HA SER 2 5.167 -1.093 -20.862
6 HB2 SER 2 1HB SER 2 6.871 0.158 -19.578
7 HB3 SER 2 2HB SER 2 5.876 1.609 -19.691
8 HG SER 2 HG SER 2 5.581 -0.627 -18.093
9 H SER 3 H SER 3 3.044 -1.175 -20.308
10 HA SER 3 HA SER 3 1.367 1.090 -21.173
11 HB2 SER 3 1HB SER 3 1.121 -0.959 -22.569
12 HB3 SER 3 2HB SER 3 0.604 -1.840 -21.132
13 HG SER 3 HG SER 3 -0.701 0.284 -22.463
14 H GLY 4 H GLY 4 1.146 -1.788 -19.065
15 HA2 GLY 4 1HA GLY 4 0.982 -1.288 -16.622
16 HA3 GLY 4 2HA GLY 4 -0.198 -0.067 -17.073
17 H SER 5 H SER 5 -0.162 -2.733 -15.482
18 HA SER 5 HA SER 5 -2.531 -3.905 -16.786
19 HB2 SER 5 1HB SER 5 -0.306 -5.271 -16.332
20 HB3 SER 5 2HB SER 5 -0.993 -5.414 -14.714
21 HG SER 5 HG SER 5 -1.954 -6.407 -17.156
22 H SER 6 H SER 6 -3.899 -5.146 -15.047
23 HA SER 6 HA SER 6 -4.010 -4.028 -12.429
24 HB2 SER 6 1HB SER 6 -4.923 -2.078 -13.456
25 HB3 SER 6 2HB SER 6 -5.973 -3.036 -14.499
26 HG SER 6 HG SER 6 -6.170 -2.651 -11.701
27 H GLY 7 H GLY 7 -5.021 -5.422 -11.115
28 HA2 GLY 7 1HA GLY 7 -6.332 -7.725 -12.324
29 HA3 GLY 7 2HA GLY 7 -5.848 -7.564 -10.642
30 H THR 8 H THR 8 -8.452 -7.982 -12.465
31 HA THR 8 HA THR 8 -10.292 -6.028 -11.628
32 HB THR 8 HB THR 8 -10.894 -8.910 -12.318
33 HG1 THR 8 HG1 THR 8 -9.706 -7.298 -13.859
34 HG21 THR 8 3HG2 THR 8 -12.550 -6.449 -11.988
35 HG22 THR 8 1HG2 THR 8 -12.894 -8.109 -11.502
36 HG23 THR 8 2HG2 THR 8 -13.022 -7.641 -13.198
37 H GLY 9 H GLY 9 -10.566 -5.565 -9.526
38 HA2 GLY 9 1HA GLY 9 -12.099 -6.845 -7.765
39 HA3 GLY 9 2HA GLY 9 -10.579 -7.697 -7.541
40 H GLU 10 H GLU 10 -10.239 -7.013 -5.446
41 HA GLU 10 HA GLU 10 -8.967 -4.489 -5.141
42 HB2 GLU 10 1HB GLU 10 -11.527 -4.027 -5.041
43 HB3 GLU 10 2HB GLU 10 -11.426 -4.752 -3.443
44 HG2 GLU 10 1HG GLU 10 -10.109 -3.044 -2.606
45 HG3 GLU 10 2HG GLU 10 -9.584 -2.529 -4.208
46 H LYS 11 H LYS 11 -8.482 -4.093 -2.718
47 HA LYS 11 HA LYS 11 -8.150 -6.668 -1.333
48 HB2 LYS 11 1HB LYS 11 -6.052 -4.500 -1.542
49 HB3 LYS 11 2HB LYS 11 -5.894 -6.010 -0.655
50 HG2 LYS 11 1HG LYS 11 -6.326 -5.853 -3.628
51 HG3 LYS 11 2HG LYS 11 -4.740 -5.967 -2.862
52 HD2 LYS 11 1HD LYS 11 -6.913 -7.966 -2.309
53 HD3 LYS 11 2HD LYS 11 -5.821 -8.137 -3.685
54 HE2 LYS 11 1HE LYS 11 -4.925 -7.850 -0.820
55 HE3 LYS 11 2HE LYS 11 -5.108 -9.392 -1.655
56 HZ1 LYS 11 3HZ LYS 11 -2.880 -7.773 -1.632
57 HZ2 LYS 11 1HZ LYS 11 -3.530 -7.598 -3.184
58 HZ3 LYS 11 2HZ LYS 11 -3.135 -9.136 -2.601
59 HA PRO 12 HA PRO 12 -9.713 -4.637 2.234
60 HB2 PRO 12 1HB PRO 12 -8.445 -6.017 4.199
61 HB3 PRO 12 2HB PRO 12 -9.758 -6.704 3.236
62 HG2 PRO 12 1HG PRO 12 -6.801 -7.060 2.934
63 HG3 PRO 12 2HG PRO 12 -8.091 -8.272 2.826
64 HD2 PRO 12 1HD PRO 12 -6.927 -7.183 0.637
65 HD3 PRO 12 2HD PRO 12 -8.628 -7.690 0.661
66 H TYR 13 H TYR 13 -6.419 -4.524 1.399
67 HA TYR 13 HA TYR 13 -5.946 -2.419 3.408
68 HB2 TYR 13 1HB TYR 13 -3.835 -4.196 2.173
69 HB3 TYR 13 2HB TYR 13 -3.611 -3.024 3.467
70 HD1 TYR 13 HD2 TYR 13 -4.869 -3.451 5.669
71 HD2 TYR 13 HD1 TYR 13 -4.331 -6.423 2.672
72 HE1 TYR 13 HE2 TYR 13 -5.305 -5.205 7.337
73 HE2 TYR 13 HE1 TYR 13 -4.767 -8.185 4.332
74 HH TYR 13 HH TYR 13 -5.186 -7.426 7.749
75 H GLU 14 H GLU 14 -5.473 -0.461 2.644
76 HA GLU 14 HA GLU 14 -4.321 -0.179 -0.026
77 HB2 GLU 14 1HB GLU 14 -7.016 0.767 0.821
78 HB3 GLU 14 2HB GLU 14 -6.070 1.816 -0.225
79 HG2 GLU 14 1HG GLU 14 -5.794 -0.255 -1.713
80 HG3 GLU 14 2HG GLU 14 -7.128 -0.927 -0.779
81 H CYS 15 H CYS 15 -3.144 1.708 -0.340
82 HA CYS 15 HA CYS 15 -2.096 2.904 2.034
83 HB2 CYS 15 1HB CYS 15 -0.990 2.446 -0.329
84 HB3 CYS 15 2HB CYS 15 -1.572 4.073 -0.663
85 H ASN 16 H ASN 16 -1.717 5.463 1.772
86 HA ASN 16 HA ASN 16 -4.386 6.652 1.385
87 HB2 ASN 16 1HB ASN 16 -4.190 6.831 3.670
88 HB3 ASN 16 2HB ASN 16 -2.431 6.910 3.621
89 HD21 ASN 16 1HD2 ASN 16 -5.196 8.786 2.416
90 HD22 ASN 16 2HD2 ASN 16 -4.570 10.326 2.885
91 H GLU 17 H GLU 17 -0.907 7.085 1.140
92 HA GLU 17 HA GLU 17 -1.122 9.717 -0.014
93 HB2 GLU 17 1HB GLU 17 1.200 7.817 0.321
94 HB3 GLU 17 2HB GLU 17 1.349 9.401 -0.428
95 HG2 GLU 17 1HG GLU 17 0.303 8.985 2.358
96 HG3 GLU 17 2HG GLU 17 2.002 9.272 1.987
97 H CYS 18 H CYS 18 -0.128 6.512 -1.210
98 HA CYS 18 HA CYS 18 -0.362 7.482 -3.959
99 HB2 CYS 18 1HB CYS 18 0.790 5.462 -4.611
100 HB3 CYS 18 2HB CYS 18 1.661 6.199 -3.271
101 H GLN 19 H GLN 19 -2.079 5.664 -1.632
102 HA GLN 19 HA GLN 19 -4.079 4.581 -1.677
103 HB2 GLN 19 1HB GLN 19 -4.285 5.904 -4.386
104 HB3 GLN 19 2HB GLN 19 -5.605 5.055 -3.592
105 HG2 GLN 19 1HG GLN 19 -6.090 7.196 -3.001
106 HG3 GLN 19 2HG GLN 19 -5.076 6.724 -1.638
107 HE21 GLN 19 1HE2 GLN 19 -4.981 9.153 -1.565
108 HE22 GLN 19 2HE2 GLN 19 -3.694 9.910 -2.433
109 H LYS 20 H LYS 20 -1.993 2.973 -2.159
110 HA LYS 20 HA LYS 20 -2.738 1.322 -4.473
111 HB2 LYS 20 1HB LYS 20 -0.203 1.663 -2.913
112 HB3 LYS 20 2HB LYS 20 -0.486 0.166 -3.793
113 HG2 LYS 20 1HG LYS 20 -0.923 1.648 -5.825
114 HG3 LYS 20 2HG LYS 20 -0.195 2.946 -4.876
115 HD2 LYS 20 1HD LYS 20 1.889 1.939 -4.856
116 HD3 LYS 20 2HD LYS 20 1.228 0.331 -5.163
117 HE2 LYS 20 1HE LYS 20 2.222 0.910 -7.187
118 HE3 LYS 20 2HE LYS 20 0.519 1.289 -7.442
119 HZ1 LYS 20 3HZ LYS 20 0.922 3.504 -7.484
120 HZ2 LYS 20 1HZ LYS 20 2.434 2.982 -8.035
121 HZ3 LYS 20 2HZ LYS 20 2.229 3.421 -6.414
122 H ALA 21 H ALA 21 -3.327 -0.797 -4.243
123 HA ALA 21 HA ALA 21 -4.193 -1.599 -1.592
124 HB1 ALA 21 3HB ALA 21 -5.881 -2.222 -2.946
125 HB2 ALA 21 1HB ALA 21 -4.835 -2.366 -4.359
126 HB3 ALA 21 2HB ALA 21 -4.901 -3.671 -3.174
127 H PHE 22 H PHE 22 -3.559 -3.477 -0.526
128 HA PHE 22 HA PHE 22 -1.213 -4.877 -1.610
129 HB2 PHE 22 1HB PHE 22 -1.514 -3.706 1.157
130 HB3 PHE 22 2HB PHE 22 -0.299 -4.915 0.753
131 HD1 PHE 22 HD2 PHE 22 -1.546 -1.627 -0.495
132 HD2 PHE 22 HD1 PHE 22 1.794 -4.176 0.185
133 HE1 PHE 22 HE2 PHE 22 -0.034 0.156 -1.261
134 HE2 PHE 22 HE1 PHE 22 3.312 -2.396 -0.579
135 HZ PHE 22 HZ PHE 22 2.398 -0.228 -1.305
136 H ASN 23 H ASN 23 -0.714 -6.785 0.078
137 HA ASN 23 HA ASN 23 -3.197 -8.323 0.176
138 HB2 ASN 23 1HB ASN 23 -1.366 -10.156 0.812
139 HB3 ASN 23 2HB ASN 23 -1.680 -9.692 -0.858
140 HD21 ASN 23 1HD2 ASN 23 0.689 -10.279 1.295
141 HD22 ASN 23 2HD2 ASN 23 1.960 -9.329 0.612
142 H THR 24 H THR 24 -0.394 -7.624 2.258
143 HA THR 24 HA THR 24 -2.073 -8.273 4.592
144 HB THR 24 HB THR 24 0.038 -8.621 5.837
145 HG1 THR 24 HG1 THR 24 1.945 -8.879 4.384
146 HG21 THR 24 3HG2 THR 24 -1.127 -10.512 4.744
147 HG22 THR 24 1HG2 THR 24 0.616 -10.757 4.845
148 HG23 THR 24 2HG2 THR 24 -0.120 -10.277 3.316
149 H LYS 25 H LYS 25 -1.601 -7.011 6.568
150 HA LYS 25 HA LYS 25 -1.596 -4.202 5.960
151 HB2 LYS 25 1HB LYS 25 -3.082 -5.111 7.681
152 HB3 LYS 25 2HB LYS 25 -1.692 -5.648 8.615
153 HG2 LYS 25 1HG LYS 25 -2.315 -3.691 9.675
154 HG3 LYS 25 2HG LYS 25 -1.006 -3.166 8.614
155 HD2 LYS 25 1HD LYS 25 -2.594 -1.547 8.206
156 HD3 LYS 25 2HD LYS 25 -2.954 -2.710 6.928
157 HE2 LYS 25 1HE LYS 25 -5.036 -2.136 7.872
158 HE3 LYS 25 2HE LYS 25 -4.642 -3.727 8.521
159 HZ1 LYS 25 3HZ LYS 25 -3.775 -2.566 10.522
160 HZ2 LYS 25 1HZ LYS 25 -5.440 -2.380 10.291
161 HZ3 LYS 25 2HZ LYS 25 -4.386 -1.115 9.905
162 H SER 26 H SER 26 0.415 -6.244 8.087
163 HA SER 26 HA SER 26 2.289 -4.499 8.939
164 HB2 SER 26 1HB SER 26 3.945 -6.388 8.836
165 HB3 SER 26 2HB SER 26 2.409 -6.814 9.591
166 HG SER 26 HG SER 26 1.955 -7.404 7.177
167 H ASN 27 H ASN 27 1.980 -5.764 5.689
168 HA ASN 27 HA ASN 27 4.488 -4.725 4.767
169 HB2 ASN 27 1HB ASN 27 2.100 -5.983 3.461
170 HB3 ASN 27 2HB ASN 27 3.303 -5.164 2.470
171 HD21 ASN 27 1HD2 ASN 27 3.899 -7.083 1.470
172 HD22 ASN 27 2HD2 ASN 27 4.837 -8.287 2.279
173 H LEU 28 H LEU 28 1.117 -3.678 4.640
174 HA LEU 28 HA LEU 28 1.610 -1.398 3.003
175 HB2 LEU 28 1HB LEU 28 -0.587 -2.296 3.034
176 HB3 LEU 28 2HB LEU 28 -0.675 -2.189 4.791
177 HG LEU 28 HG LEU 28 -0.514 0.359 4.427
178 HD11 LEU 28 1HD1 LEU 28 0.075 0.580 2.184
179 HD12 LEU 28 2HD1 LEU 28 -1.649 0.952 2.205
180 HD13 LEU 28 3HD1 LEU 28 -1.095 -0.631 1.658
181 HD21 LEU 28 3HD2 LEU 28 -3.033 -0.949 3.437
182 HD22 LEU 28 1HD2 LEU 28 -2.860 0.532 4.379
183 HD23 LEU 28 2HD2 LEU 28 -2.523 -1.030 5.124
184 H MET 29 H MET 29 0.944 -1.756 6.488
185 HA MET 29 HA MET 29 1.088 0.818 7.339
186 HB2 MET 29 1HB MET 29 1.782 0.011 9.483
187 HB3 MET 29 2HB MET 29 0.730 -1.206 8.772
188 HG2 MET 29 1HG MET 29 2.625 -2.566 8.179
189 HG3 MET 29 2HG MET 29 3.736 -1.317 8.737
190 HE1 MET 29 3HE MET 29 3.516 -0.263 10.884
191 HE2 MET 29 1HE MET 29 2.498 -0.805 12.218
192 HE3 MET 29 2HE MET 29 4.164 -1.368 12.097
193 H VAL 30 H VAL 30 3.837 -1.288 6.595
194 HA VAL 30 HA VAL 30 5.788 0.708 7.279
195 HB VAL 30 HB VAL 30 6.086 -1.899 5.781
196 HG11 VAL 30 1HG1 VAL 30 7.972 0.276 6.352
197 HG12 VAL 30 2HG1 VAL 30 8.543 -1.336 6.789
198 HG13 VAL 30 3HG1 VAL 30 8.039 -0.996 5.133
199 HG21 VAL 30 3HG2 VAL 30 5.991 -2.869 7.777
200 HG22 VAL 30 1HG2 VAL 30 7.369 -1.904 8.305
201 HG23 VAL 30 2HG2 VAL 30 5.728 -1.303 8.543
202 H HIS 31 H HIS 31 4.101 -0.300 4.400
203 HA HIS 31 HA HIS 31 5.837 0.994 2.540
204 HB2 HIS 31 1HB HIS 31 4.543 -0.720 1.603
205 HB3 HIS 31 2HB HIS 31 3.066 -0.158 2.380
206 HD1 HIS 31 HD1 HIS 31 5.324 0.580 -0.533
207 HD2 HIS 31 HD2 HIS 31 1.620 1.730 0.958
208 HE1 HIS 31 HE1 HIS 31 4.251 1.928 -2.365
209 H GLN 32 H GLN 32 3.433 2.092 4.687
210 HA GLN 32 HA GLN 32 2.728 4.447 3.168
211 HB2 GLN 32 1HB GLN 32 2.109 3.674 6.024
212 HB3 GLN 32 2HB GLN 32 1.442 5.070 5.189
213 HG2 GLN 32 1HG GLN 32 0.574 3.377 3.470
214 HG3 GLN 32 2HG GLN 32 0.914 2.166 4.705
215 HE21 GLN 32 1HE2 GLN 32 -1.574 2.191 4.036
216 HE22 GLN 32 2HE2 GLN 32 -2.577 3.021 5.171
217 H ARG 33 H ARG 33 4.549 3.749 6.142
218 HA ARG 33 HA ARG 33 5.378 6.453 6.513
219 HB2 ARG 33 1HB ARG 33 6.912 5.499 8.212
220 HB3 ARG 33 2HB ARG 33 5.248 4.969 8.416
221 HG2 ARG 33 1HG ARG 33 6.059 2.930 6.974
222 HG3 ARG 33 2HG ARG 33 7.644 3.424 7.573
223 HD2 ARG 33 1HD ARG 33 5.298 3.016 9.404
224 HD3 ARG 33 2HD ARG 33 6.360 1.689 8.935
225 HE ARG 33 HE ARG 33 7.693 4.013 10.027
226 HH11 ARG 33 1HH1 ARG 33 6.270 0.900 10.665
227 HH12 ARG 33 2HH1 ARG 33 7.141 0.660 12.143
228 HH21 ARG 33 1HH2 ARG 33 8.845 3.708 11.972
229 HH22 ARG 33 2HH2 ARG 33 8.604 2.258 12.886
230 H THR 34 H THR 34 6.872 3.570 5.116
231 HA THR 34 HA THR 34 9.456 4.453 4.739
232 HB THR 34 HB THR 34 8.505 2.160 4.179
233 HG1 THR 34 HG1 THR 34 10.384 1.901 3.245
234 HG21 THR 34 3HG2 THR 34 6.707 2.953 2.689
235 HG22 THR 34 1HG2 THR 34 7.765 1.789 1.892
236 HG23 THR 34 2HG2 THR 34 7.923 3.510 1.540
237 H HIS 35 H HIS 35 6.577 5.202 2.864
238 HA HIS 35 HA HIS 35 7.393 6.223 0.542
239 HB2 HIS 35 1HB HIS 35 5.393 7.197 2.517
240 HB3 HIS 35 2HB HIS 35 5.794 8.269 1.179
241 HD1 HIS 35 HD1 HIS 35 5.885 6.533 -1.204
242 HD2 HIS 35 HD2 HIS 35 3.127 5.907 1.840
243 HE1 HIS 35 HE1 HIS 35 4.009 5.228 -2.254
244 H THR 36 H THR 36 7.835 7.858 3.654
245 HA THR 36 HA THR 36 9.196 10.101 2.475
246 HB THR 36 HB THR 36 7.888 10.332 4.563
247 HG1 THR 36 HG1 THR 36 9.213 11.896 5.124
248 HG21 THR 36 3HG2 THR 36 9.922 9.349 6.364
249 HG22 THR 36 1HG2 THR 36 9.291 8.051 5.352
250 HG23 THR 36 2HG2 THR 36 8.191 9.013 6.338
251 H GLY 37 H GLY 37 11.343 10.431 2.247
252 HA2 GLY 37 1HA GLY 37 13.448 9.435 3.664
253 HA3 GLY 37 2HA GLY 37 13.094 8.163 2.504
254 H GLU 38 H GLU 38 12.846 9.009 0.178
255 HA GLU 38 HA GLU 38 15.303 10.177 -0.576
256 HB2 GLU 38 1HB GLU 38 13.623 8.621 -1.886
257 HB3 GLU 38 2HB GLU 38 12.968 10.154 -2.441
258 HG2 GLU 38 1HG GLU 38 14.984 10.755 -3.494
259 HG3 GLU 38 2HG GLU 38 15.881 9.479 -2.673
260 H SER 39 H SER 39 15.622 12.206 0.229
261 HA SER 39 HA SER 39 13.761 14.289 -0.713
262 HB2 SER 39 1HB SER 39 15.429 14.407 1.809
263 HB3 SER 39 2HB SER 39 14.221 15.579 1.281
264 HG SER 39 HG SER 39 13.199 14.287 2.731
265 H GLY 40 H GLY 40 15.012 14.537 -2.623
266 HA2 GLY 40 1HA GLY 40 17.649 15.792 -2.167
267 HA3 GLY 40 2HA GLY 40 17.251 14.855 -3.599
268 HA PRO 41 HA PRO 41 16.017 18.480 -5.722
269 HB2 PRO 41 1HB PRO 41 13.900 17.614 -7.185
270 HB3 PRO 41 2HB PRO 41 15.568 17.151 -7.542
271 HG2 PRO 41 1HG PRO 41 13.451 15.627 -6.072
272 HG3 PRO 41 2HG PRO 41 14.609 15.048 -7.284
273 HD2 PRO 41 1HD PRO 41 14.971 14.671 -4.627
274 HD3 PRO 41 2HD PRO 41 16.325 14.892 -5.754
275 H SER 42 H SER 42 13.983 19.814 -6.311
276 HA SER 42 HA SER 42 12.844 20.887 -4.084
277 HB2 SER 42 1HB SER 42 12.658 21.995 -6.223
278 HB3 SER 42 2HB SER 42 11.653 20.693 -6.859
279 HG SER 42 HG SER 42 10.980 22.466 -4.747
280 H SER 43 H SER 43 11.610 20.062 -2.546
281 HA SER 43 HA SER 43 9.144 18.790 -3.024
282 HB2 SER 43 1HB SER 43 10.504 16.871 -3.680
283 HB3 SER 43 2HB SER 43 11.392 16.953 -2.158
284 HG SER 43 HG SER 43 9.897 15.580 -1.564
285 H GLY 44 H GLY 44 8.149 19.880 -1.441
286 HA2 GLY 44 1HA GLY 44 9.413 19.980 1.214
287 HA3 GLY 44 2HA GLY 44 8.145 21.056 0.647
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -6.481 8.073 -23.344
2 HA2 GLY 1 1HA GLY 1 -7.372 7.252 -26.040
3 HA3 GLY 1 2HA GLY 1 -5.685 7.450 -25.590
4 H SER 2 H SER 2 -8.280 5.860 -23.778
5 HA SER 2 HA SER 2 -7.406 3.219 -24.440
6 HB2 SER 2 1HB SER 2 -6.594 4.430 -21.801
7 HB3 SER 2 2HB SER 2 -6.771 2.688 -22.009
8 HG SER 2 HG SER 2 -4.758 2.868 -22.637
9 H SER 3 H SER 3 -8.695 1.571 -23.432
10 HA SER 3 HA SER 3 -11.376 2.477 -22.904
11 HB2 SER 3 1HB SER 3 -10.217 -0.321 -22.909
12 HB3 SER 3 2HB SER 3 -11.934 0.074 -22.843
13 HG SER 3 HG SER 3 -11.749 -0.048 -24.943
14 H GLY 4 H GLY 4 -9.190 0.287 -21.116
15 HA2 GLY 4 1HA GLY 4 -8.799 1.107 -18.733
16 HA3 GLY 4 2HA GLY 4 -10.554 1.129 -18.640
17 H SER 5 H SER 5 -7.966 -1.120 -19.627
18 HA SER 5 HA SER 5 -9.519 -3.306 -18.429
19 HB2 SER 5 1HB SER 5 -7.127 -3.498 -20.273
20 HB3 SER 5 2HB SER 5 -8.187 -4.817 -19.776
21 HG SER 5 HG SER 5 -8.501 -3.029 -21.780
22 H SER 6 H SER 6 -8.253 -1.595 -16.652
23 HA SER 6 HA SER 6 -6.575 -3.453 -15.240
24 HB2 SER 6 1HB SER 6 -4.883 -2.455 -16.678
25 HB3 SER 6 2HB SER 6 -5.403 -0.835 -16.213
26 HG SER 6 HG SER 6 -3.626 -2.390 -15.010
27 H GLY 7 H GLY 7 -6.280 -2.897 -13.043
28 HA2 GLY 7 1HA GLY 7 -6.479 -1.064 -11.358
29 HA3 GLY 7 2HA GLY 7 -7.992 -0.657 -12.154
30 H THR 8 H THR 8 -6.590 -3.758 -11.107
31 HA THR 8 HA THR 8 -9.145 -4.421 -9.852
32 HB THR 8 HB THR 8 -8.147 -6.711 -9.613
33 HG1 THR 8 HG1 THR 8 -5.906 -5.600 -9.952
34 HG21 THR 8 3HG2 THR 8 -9.541 -5.918 -11.583
35 HG22 THR 8 1HG2 THR 8 -8.520 -7.327 -11.869
36 HG23 THR 8 2HG2 THR 8 -8.023 -5.743 -12.462
37 H GLY 9 H GLY 9 -9.049 -3.180 -7.964
38 HA2 GLY 9 1HA GLY 9 -6.939 -3.979 -6.055
39 HA3 GLY 9 2HA GLY 9 -7.711 -2.400 -6.055
40 H GLU 10 H GLU 10 -8.381 -5.857 -5.618
41 HA GLU 10 HA GLU 10 -10.707 -5.158 -3.974
42 HB2 GLU 10 1HB GLU 10 -10.660 -6.936 -5.922
43 HB3 GLU 10 2HB GLU 10 -9.999 -7.977 -4.669
44 HG2 GLU 10 1HG GLU 10 -12.278 -8.400 -4.607
45 HG3 GLU 10 2HG GLU 10 -12.021 -7.276 -3.274
46 H LYS 11 H LYS 11 -8.273 -4.585 -2.819
47 HA LYS 11 HA LYS 11 -7.857 -6.762 -0.884
48 HB2 LYS 11 1HB LYS 11 -6.099 -4.517 -1.835
49 HB3 LYS 11 2HB LYS 11 -5.777 -5.330 -0.309
50 HG2 LYS 11 1HG LYS 11 -4.417 -6.363 -1.942
51 HG3 LYS 11 2HG LYS 11 -5.726 -7.491 -1.582
52 HD2 LYS 11 1HD LYS 11 -6.928 -6.643 -3.588
53 HD3 LYS 11 2HD LYS 11 -5.515 -5.657 -3.969
54 HE2 LYS 11 1HE LYS 11 -5.509 -8.662 -3.698
55 HE3 LYS 11 2HE LYS 11 -5.587 -7.787 -5.227
56 HZ1 LYS 11 3HZ LYS 11 -3.357 -8.171 -5.057
57 HZ2 LYS 11 1HZ LYS 11 -3.339 -8.081 -3.368
58 HZ3 LYS 11 2HZ LYS 11 -3.442 -6.666 -4.288
59 HA PRO 12 HA PRO 12 -9.817 -4.391 2.264
60 HB2 PRO 12 1HB PRO 12 -8.649 -5.514 4.442
61 HB3 PRO 12 2HB PRO 12 -9.883 -6.338 3.482
62 HG2 PRO 12 1HG PRO 12 -6.906 -6.642 3.402
63 HG3 PRO 12 2HG PRO 12 -8.160 -7.894 3.348
64 HD2 PRO 12 1HD PRO 12 -6.882 -7.016 1.129
65 HD3 PRO 12 2HD PRO 12 -8.570 -7.564 1.105
66 H TYR 13 H TYR 13 -6.536 -4.190 1.530
67 HA TYR 13 HA TYR 13 -6.178 -1.961 3.425
68 HB2 TYR 13 1HB TYR 13 -3.940 -3.596 2.232
69 HB3 TYR 13 2HB TYR 13 -3.846 -2.445 3.560
70 HD1 TYR 13 HD2 TYR 13 -5.126 -3.030 5.713
71 HD2 TYR 13 HD1 TYR 13 -4.263 -5.868 2.662
72 HE1 TYR 13 HE2 TYR 13 -5.464 -4.857 7.325
73 HE2 TYR 13 HE1 TYR 13 -4.599 -7.703 4.265
74 HH TYR 13 HH TYR 13 -5.665 -8.154 6.350
75 H GLU 14 H GLU 14 -6.143 -0.045 2.476
76 HA GLU 14 HA GLU 14 -4.957 0.189 -0.206
77 HB2 GLU 14 1HB GLU 14 -7.646 1.075 0.732
78 HB3 GLU 14 2HB GLU 14 -6.791 2.097 -0.415
79 HG2 GLU 14 1HG GLU 14 -7.940 0.800 -1.871
80 HG3 GLU 14 2HG GLU 14 -6.497 -0.196 -1.692
81 H CYS 15 H CYS 15 -3.280 1.514 -0.134
82 HA CYS 15 HA CYS 15 -2.520 3.073 2.026
83 HB2 CYS 15 1HB CYS 15 -1.259 2.339 -0.186
84 HB3 CYS 15 2HB CYS 15 -1.736 3.948 -0.720
85 H ASN 16 H ASN 16 -2.003 5.576 1.558
86 HA ASN 16 HA ASN 16 -4.589 6.821 0.888
87 HB2 ASN 16 1HB ASN 16 -4.402 7.177 3.181
88 HB3 ASN 16 2HB ASN 16 -2.651 7.356 3.112
89 HD21 ASN 16 1HD2 ASN 16 -5.415 8.978 3.626
90 HD22 ASN 16 2HD2 ASN 16 -4.927 10.570 3.165
91 H GLU 17 H GLU 17 -1.118 7.592 1.188
92 HA GLU 17 HA GLU 17 -1.169 9.901 -0.392
93 HB2 GLU 17 1HB GLU 17 0.698 8.990 1.141
94 HB3 GLU 17 2HB GLU 17 1.206 8.061 -0.263
95 HG2 GLU 17 1HG GLU 17 2.521 10.014 -0.236
96 HG3 GLU 17 2HG GLU 17 1.335 10.229 -1.522
97 H CYS 18 H CYS 18 -0.085 6.627 -1.309
98 HA CYS 18 HA CYS 18 -0.227 7.359 -4.123
99 HB2 CYS 18 1HB CYS 18 0.902 5.302 -4.569
100 HB3 CYS 18 2HB CYS 18 1.680 6.017 -3.160
101 H GLN 19 H GLN 19 -2.060 5.653 -1.748
102 HA GLN 19 HA GLN 19 -4.095 4.639 -1.808
103 HB2 GLN 19 1HB GLN 19 -4.111 6.308 -4.269
104 HB3 GLN 19 2HB GLN 19 -5.351 5.069 -4.127
105 HG2 GLN 19 1HG GLN 19 -4.876 6.964 -1.872
106 HG3 GLN 19 2HG GLN 19 -5.813 7.473 -3.275
107 HE21 GLN 19 1HE2 GLN 19 -6.215 6.520 -0.282
108 HE22 GLN 19 2HE2 GLN 19 -7.670 5.596 -0.403
109 H LYS 20 H LYS 20 -1.936 3.043 -2.382
110 HA LYS 20 HA LYS 20 -2.611 1.433 -4.713
111 HB2 LYS 20 1HB LYS 20 -0.311 1.557 -2.811
112 HB3 LYS 20 2HB LYS 20 -0.596 0.060 -3.688
113 HG2 LYS 20 1HG LYS 20 -0.539 1.382 -5.806
114 HG3 LYS 20 2HG LYS 20 -0.040 2.779 -4.848
115 HD2 LYS 20 1HD LYS 20 2.006 1.968 -5.489
116 HD3 LYS 20 2HD LYS 20 1.789 1.104 -3.965
117 HE2 LYS 20 1HE LYS 20 0.891 -0.074 -6.574
118 HE3 LYS 20 2HE LYS 20 2.560 -0.227 -6.026
119 HZ1 LYS 20 3HZ LYS 20 0.116 -1.384 -4.874
120 HZ2 LYS 20 1HZ LYS 20 1.437 -1.073 -3.864
121 HZ3 LYS 20 2HZ LYS 20 1.608 -2.119 -5.182
122 H ALA 21 H ALA 21 -2.114 -1.089 -4.070
123 HA ALA 21 HA ALA 21 -3.882 -1.725 -1.802
124 HB1 ALA 21 3HB ALA 21 -4.540 -3.741 -3.359
125 HB2 ALA 21 1HB ALA 21 -5.348 -2.179 -3.498
126 HB3 ALA 21 2HB ALA 21 -4.072 -2.617 -4.635
127 H PHE 22 H PHE 22 -3.259 -3.390 -0.521
128 HA PHE 22 HA PHE 22 -0.903 -4.943 -1.362
129 HB2 PHE 22 1HB PHE 22 -1.444 -3.646 1.308
130 HB3 PHE 22 2HB PHE 22 -0.248 -4.919 1.096
131 HD1 PHE 22 HD2 PHE 22 -1.208 -1.611 -0.325
132 HD2 PHE 22 HD1 PHE 22 1.924 -4.334 0.618
133 HE1 PHE 22 HE2 PHE 22 0.454 0.071 -1.003
134 HE2 PHE 22 HE1 PHE 22 3.592 -2.656 -0.059
135 HZ PHE 22 HZ PHE 22 2.857 -0.450 -0.872
136 H ASN 23 H ASN 23 -0.627 -6.973 -0.073
137 HA ASN 23 HA ASN 23 -3.168 -8.353 0.042
138 HB2 ASN 23 1HB ASN 23 -1.675 -10.357 0.521
139 HB3 ASN 23 2HB ASN 23 -1.436 -9.568 -1.036
140 HD21 ASN 23 1HD2 ASN 23 0.355 -8.078 -1.223
141 HD22 ASN 23 2HD2 ASN 23 1.777 -8.341 -0.278
142 H THR 24 H THR 24 -0.479 -7.673 2.261
143 HA THR 24 HA THR 24 -2.286 -8.302 4.505
144 HB THR 24 HB THR 24 -0.261 -8.800 5.845
145 HG1 THR 24 HG1 THR 24 1.699 -8.609 4.994
146 HG21 THR 24 3HG2 THR 24 -1.393 -10.677 4.904
147 HG22 THR 24 1HG2 THR 24 0.333 -10.937 4.653
148 HG23 THR 24 2HG2 THR 24 -0.680 -10.390 3.317
149 H LYS 25 H LYS 25 -2.033 -7.029 6.435
150 HA LYS 25 HA LYS 25 -1.826 -4.258 5.919
151 HB2 LYS 25 1HB LYS 25 -3.279 -5.155 7.671
152 HB3 LYS 25 2HB LYS 25 -1.875 -5.740 8.555
153 HG2 LYS 25 1HG LYS 25 -1.138 -3.260 8.547
154 HG3 LYS 25 2HG LYS 25 -2.832 -2.936 8.172
155 HD2 LYS 25 1HD LYS 25 -2.225 -4.775 10.428
156 HD3 LYS 25 2HD LYS 25 -1.947 -3.048 10.668
157 HE2 LYS 25 1HE LYS 25 -4.140 -3.337 11.379
158 HE3 LYS 25 2HE LYS 25 -4.329 -2.761 9.724
159 HZ1 LYS 25 3HZ LYS 25 -5.526 -4.564 9.326
160 HZ2 LYS 25 1HZ LYS 25 -5.209 -5.191 10.865
161 HZ3 LYS 25 2HZ LYS 25 -4.155 -5.521 9.584
162 H SER 26 H SER 26 0.255 -6.455 7.799
163 HA SER 26 HA SER 26 2.176 -4.817 8.740
164 HB2 SER 26 1HB SER 26 3.826 -6.677 8.302
165 HB3 SER 26 2HB SER 26 2.347 -7.180 9.120
166 HG SER 26 HG SER 26 3.115 -7.589 6.436
167 H ASN 27 H ASN 27 2.148 -6.125 5.428
168 HA ASN 27 HA ASN 27 4.451 -4.868 4.500
169 HB2 ASN 27 1HB ASN 27 2.807 -6.624 3.393
170 HB3 ASN 27 2HB ASN 27 2.120 -5.179 2.657
171 HD21 ASN 27 1HD2 ASN 27 5.039 -7.086 3.019
172 HD22 ASN 27 2HD2 ASN 27 5.810 -6.523 1.578
173 H LEU 28 H LEU 28 1.087 -3.735 4.446
174 HA LEU 28 HA LEU 28 1.540 -1.326 3.088
175 HB2 LEU 28 1HB LEU 28 -0.683 -2.110 3.310
176 HB3 LEU 28 2HB LEU 28 -0.560 -2.166 5.067
177 HG LEU 28 HG LEU 28 -0.408 0.339 5.042
178 HD11 LEU 28 1HD1 LEU 28 -0.197 -0.100 2.254
179 HD12 LEU 28 2HD1 LEU 28 -0.179 1.431 3.129
180 HD13 LEU 28 3HD1 LEU 28 -1.705 0.765 2.549
181 HD21 LEU 28 3HD2 LEU 28 -2.673 0.542 5.199
182 HD22 LEU 28 1HD2 LEU 28 -2.541 -1.217 5.231
183 HD23 LEU 28 2HD2 LEU 28 -2.972 -0.392 3.732
184 H MET 29 H MET 29 1.304 -1.949 6.589
185 HA MET 29 HA MET 29 1.657 0.532 7.625
186 HB2 MET 29 1HB MET 29 2.942 -2.042 8.550
187 HB3 MET 29 2HB MET 29 2.909 -0.564 9.503
188 HG2 MET 29 1HG MET 29 0.319 -0.743 9.057
189 HG3 MET 29 2HG MET 29 0.714 -2.447 8.839
190 HE1 MET 29 3HE MET 29 -0.831 -0.821 12.234
191 HE2 MET 29 1HE MET 29 0.518 0.314 12.162
192 HE3 MET 29 2HE MET 29 -0.485 0.045 10.737
193 H VAL 30 H VAL 30 4.346 -1.646 6.751
194 HA VAL 30 HA VAL 30 6.391 0.232 7.209
195 HB VAL 30 HB VAL 30 6.400 -2.153 5.354
196 HG11 VAL 30 1HG1 VAL 30 8.549 -1.763 4.882
197 HG12 VAL 30 2HG1 VAL 30 8.251 -0.124 5.464
198 HG13 VAL 30 3HG1 VAL 30 8.928 -1.338 6.550
199 HG21 VAL 30 3HG2 VAL 30 6.066 -2.171 8.058
200 HG22 VAL 30 1HG2 VAL 30 6.783 -3.482 7.121
201 HG23 VAL 30 2HG2 VAL 30 7.820 -2.296 7.915
202 H HIS 31 H HIS 31 4.465 -0.516 4.360
203 HA HIS 31 HA HIS 31 5.979 1.034 2.528
204 HB2 HIS 31 1HB HIS 31 4.549 -0.626 1.611
205 HB3 HIS 31 2HB HIS 31 3.150 -0.011 2.486
206 HD1 HIS 31 HD1 HIS 31 5.472 1.030 -0.328
207 HD2 HIS 31 HD2 HIS 31 1.631 1.756 1.080
208 HE1 HIS 31 HE1 HIS 31 4.378 2.475 -2.072
209 H GLN 32 H GLN 32 3.471 1.783 4.820
210 HA GLN 32 HA GLN 32 2.730 4.301 3.720
211 HB2 GLN 32 1HB GLN 32 2.407 3.124 6.481
212 HB3 GLN 32 2HB GLN 32 1.759 4.691 6.017
213 HG2 GLN 32 1HG GLN 32 0.429 3.593 4.261
214 HG3 GLN 32 2HG GLN 32 1.038 2.032 4.808
215 HE21 GLN 32 1HE2 GLN 32 -1.693 2.927 4.694
216 HE22 GLN 32 2HE2 GLN 32 -2.308 2.866 6.308
217 H ARG 33 H ARG 33 4.895 3.348 6.374
218 HA ARG 33 HA ARG 33 5.693 5.970 7.053
219 HB2 ARG 33 1HB ARG 33 7.603 4.834 8.195
220 HB3 ARG 33 2HB ARG 33 6.025 4.192 8.630
221 HG2 ARG 33 1HG ARG 33 6.396 2.357 6.987
222 HG3 ARG 33 2HG ARG 33 8.038 2.964 6.764
223 HD2 ARG 33 1HD ARG 33 8.135 2.778 9.373
224 HD3 ARG 33 2HD ARG 33 6.802 1.647 9.140
225 HE ARG 33 HE ARG 33 8.614 0.717 7.406
226 HH11 ARG 33 1HH1 ARG 33 8.885 1.667 10.744
227 HH12 ARG 33 2HH1 ARG 33 10.166 0.553 11.093
228 HH21 ARG 33 1HH2 ARG 33 10.299 -0.754 7.853
229 HH22 ARG 33 2HH2 ARG 33 10.970 -0.823 9.447
230 H THR 34 H THR 34 7.218 3.488 5.014
231 HA THR 34 HA THR 34 9.570 4.673 4.334
232 HB THR 34 HB THR 34 9.267 3.632 2.030
233 HG1 THR 34 HG1 THR 34 6.750 3.106 3.202
234 HG21 THR 34 3HG2 THR 34 9.249 1.298 2.957
235 HG22 THR 34 1HG2 THR 34 8.873 1.993 4.532
236 HG23 THR 34 2HG2 THR 34 10.395 2.389 3.734
237 H HIS 35 H HIS 35 6.419 5.304 2.813
238 HA HIS 35 HA HIS 35 6.948 6.943 0.773
239 HB2 HIS 35 1HB HIS 35 4.847 7.032 2.877
240 HB3 HIS 35 2HB HIS 35 4.983 8.429 1.813
241 HD1 HIS 35 HD1 HIS 35 4.989 7.690 -0.871
242 HD2 HIS 35 HD2 HIS 35 3.248 5.102 1.874
243 HE1 HIS 35 HE1 HIS 35 3.485 6.192 -2.220
244 H THR 36 H THR 36 6.907 8.060 4.154
245 HA THR 36 HA THR 36 8.733 10.228 3.365
246 HB THR 36 HB THR 36 6.530 11.230 3.640
247 HG1 THR 36 HG1 THR 36 8.644 12.090 4.699
248 HG21 THR 36 3HG2 THR 36 5.068 10.496 5.151
249 HG22 THR 36 1HG2 THR 36 6.162 10.941 6.461
250 HG23 THR 36 2HG2 THR 36 6.269 9.340 5.727
251 H GLY 37 H GLY 37 10.596 9.952 4.396
252 HA2 GLY 37 1HA GLY 37 10.522 9.199 7.240
253 HA3 GLY 37 2HA GLY 37 11.566 8.315 6.137
254 H GLU 38 H GLU 38 13.364 9.387 5.198
255 HA GLU 38 HA GLU 38 14.639 11.212 6.968
256 HB2 GLU 38 1HB GLU 38 15.685 9.425 5.401
257 HB3 GLU 38 2HB GLU 38 15.583 10.675 4.169
258 HG2 GLU 38 1HG GLU 38 17.107 12.051 5.259
259 HG3 GLU 38 2HG GLU 38 16.910 11.210 6.796
260 H SER 39 H SER 39 15.661 13.265 6.178
261 HA SER 39 HA SER 39 13.597 14.917 4.981
262 HB2 SER 39 1HB SER 39 16.196 15.507 6.386
263 HB3 SER 39 2HB SER 39 15.302 16.769 5.538
264 HG SER 39 HG SER 39 13.631 16.538 6.938
265 H GLY 40 H GLY 40 13.561 15.524 2.920
266 HA2 GLY 40 1HA GLY 40 15.848 16.229 1.418
267 HA3 GLY 40 2HA GLY 40 15.361 14.593 1.001
268 HA PRO 41 HA PRO 41 12.607 16.315 -1.956
269 HB2 PRO 41 1HB PRO 41 10.896 14.224 -2.233
270 HB3 PRO 41 2HB PRO 41 12.536 14.218 -2.893
271 HG2 PRO 41 1HG PRO 41 11.506 12.981 -0.369
272 HG3 PRO 41 2HG PRO 41 12.625 12.308 -1.569
273 HD2 PRO 41 1HD PRO 41 13.468 13.379 0.771
274 HD3 PRO 41 2HD PRO 41 14.429 13.465 -0.720
275 H SER 42 H SER 42 11.208 17.877 -1.457
276 HA SER 42 HA SER 42 9.300 17.505 0.712
277 HB2 SER 42 1HB SER 42 10.766 19.638 0.178
278 HB3 SER 42 2HB SER 42 9.431 20.014 -0.912
279 HG SER 42 HG SER 42 9.060 19.360 1.819
280 H SER 43 H SER 43 7.047 18.354 0.364
281 HA SER 43 HA SER 43 6.064 17.778 -2.346
282 HB2 SER 43 1HB SER 43 4.106 16.603 -1.283
283 HB3 SER 43 2HB SER 43 5.644 15.758 -1.114
284 HG SER 43 HG SER 43 4.232 17.250 0.828
285 H GLY 44 H GLY 44 5.730 19.963 -2.754
286 HA2 GLY 44 1HA GLY 44 3.587 21.298 -2.786
287 HA3 GLY 44 2HA GLY 44 3.726 21.286 -1.035
Start of MODEL 12
1 H1 GLY 1 H GLY 1 12.580 0.359 -14.378
2 HA2 GLY 1 1HA GLY 1 11.479 0.117 -11.676
3 HA3 GLY 1 2HA GLY 1 10.854 1.404 -12.696
4 H SER 2 H SER 2 8.772 0.584 -12.770
5 HA SER 2 HA SER 2 8.336 -1.450 -14.754
6 HB2 SER 2 1HB SER 2 6.923 -2.882 -13.268
7 HB3 SER 2 2HB SER 2 8.636 -2.914 -12.850
8 HG SER 2 HG SER 2 6.514 -2.095 -11.372
9 H SER 3 H SER 3 6.547 -0.990 -15.868
10 HA SER 3 HA SER 3 4.990 1.295 -15.202
11 HB2 SER 3 1HB SER 3 4.922 -0.749 -17.393
12 HB3 SER 3 2HB SER 3 3.558 0.350 -17.190
13 HG SER 3 HG SER 3 4.713 1.849 -18.080
14 H GLY 4 H GLY 4 3.510 1.314 -13.646
15 HA2 GLY 4 1HA GLY 4 2.205 -1.098 -12.761
16 HA3 GLY 4 2HA GLY 4 1.955 0.521 -12.123
17 H SER 5 H SER 5 0.664 -1.957 -14.009
18 HA SER 5 HA SER 5 -1.266 -0.165 -15.305
19 HB2 SER 5 1HB SER 5 -0.627 -3.085 -15.781
20 HB3 SER 5 2HB SER 5 -1.911 -2.205 -16.611
21 HG SER 5 HG SER 5 -0.395 -1.662 -17.954
22 H SER 6 H SER 6 -3.548 -0.947 -15.374
23 HA SER 6 HA SER 6 -4.663 -1.098 -12.858
24 HB2 SER 6 1HB SER 6 -5.881 -0.512 -14.962
25 HB3 SER 6 2HB SER 6 -5.903 -2.225 -15.379
26 HG SER 6 HG SER 6 -6.864 -2.288 -13.053
27 H GLY 7 H GLY 7 -4.388 -2.613 -11.362
28 HA2 GLY 7 1HA GLY 7 -5.015 -5.370 -11.973
29 HA3 GLY 7 2HA GLY 7 -3.335 -5.093 -11.538
30 H THR 8 H THR 8 -6.491 -3.948 -10.332
31 HA THR 8 HA THR 8 -5.529 -4.433 -7.601
32 HB THR 8 HB THR 8 -7.493 -3.044 -6.905
33 HG1 THR 8 HG1 THR 8 -8.780 -3.320 -8.773
34 HG21 THR 8 3HG2 THR 8 -5.064 -2.228 -7.609
35 HG22 THR 8 1HG2 THR 8 -6.327 -1.091 -7.141
36 HG23 THR 8 2HG2 THR 8 -5.984 -1.374 -8.848
37 H GLY 9 H GLY 9 -6.771 -5.587 -6.097
38 HA2 GLY 9 1HA GLY 9 -8.954 -7.203 -7.261
39 HA3 GLY 9 2HA GLY 9 -7.710 -7.921 -6.248
40 H GLU 10 H GLU 10 -9.689 -4.969 -5.968
41 HA GLU 10 HA GLU 10 -10.695 -4.080 -4.099
42 HB2 GLU 10 1HB GLU 10 -12.219 -5.946 -5.201
43 HB3 GLU 10 2HB GLU 10 -11.959 -6.747 -3.658
44 HG2 GLU 10 1HG GLU 10 -13.974 -5.549 -3.458
45 HG3 GLU 10 2HG GLU 10 -12.766 -4.643 -2.549
46 H LYS 11 H LYS 11 -8.146 -4.970 -3.431
47 HA LYS 11 HA LYS 11 -7.970 -6.731 -1.278
48 HB2 LYS 11 1HB LYS 11 -6.312 -4.475 -2.295
49 HB3 LYS 11 2HB LYS 11 -5.970 -5.075 -0.677
50 HG2 LYS 11 1HG LYS 11 -4.560 -6.391 -1.874
51 HG3 LYS 11 2HG LYS 11 -6.003 -7.406 -1.915
52 HD2 LYS 11 1HD LYS 11 -6.586 -6.343 -4.105
53 HD3 LYS 11 2HD LYS 11 -5.014 -5.541 -4.069
54 HE2 LYS 11 1HE LYS 11 -3.930 -7.759 -3.941
55 HE3 LYS 11 2HE LYS 11 -5.516 -8.516 -4.077
56 HZ1 LYS 11 3HZ LYS 11 -5.271 -6.691 -6.169
57 HZ2 LYS 11 1HZ LYS 11 -5.330 -8.379 -6.264
58 HZ3 LYS 11 2HZ LYS 11 -3.839 -7.591 -6.131
59 HA PRO 12 HA PRO 12 -9.911 -4.631 2.066
60 HB2 PRO 12 1HB PRO 12 -8.608 -5.804 4.140
61 HB3 PRO 12 2HB PRO 12 -9.834 -6.640 3.179
62 HG2 PRO 12 1HG PRO 12 -6.850 -6.784 2.983
63 HG3 PRO 12 2HG PRO 12 -8.042 -8.095 2.905
64 HD2 PRO 12 1HD PRO 12 -6.891 -7.038 0.693
65 HD3 PRO 12 2HD PRO 12 -8.550 -7.671 0.697
66 H TYR 13 H TYR 13 -6.606 -4.316 1.327
67 HA TYR 13 HA TYR 13 -6.371 -2.056 3.203
68 HB2 TYR 13 1HB TYR 13 -4.047 -3.704 2.208
69 HB3 TYR 13 2HB TYR 13 -4.045 -2.506 3.497
70 HD1 TYR 13 HD2 TYR 13 -5.194 -3.026 5.655
71 HD2 TYR 13 HD1 TYR 13 -4.633 -5.965 2.630
72 HE1 TYR 13 HE2 TYR 13 -5.613 -4.798 7.308
73 HE2 TYR 13 HE1 TYR 13 -5.052 -7.746 4.275
74 HH TYR 13 HH TYR 13 -5.052 -7.222 7.591
75 H GLU 14 H GLU 14 -5.669 -0.138 2.399
76 HA GLU 14 HA GLU 14 -4.449 0.039 -0.213
77 HB2 GLU 14 1HB GLU 14 -7.288 0.815 0.286
78 HB3 GLU 14 2HB GLU 14 -6.323 1.816 -0.790
79 HG2 GLU 14 1HG GLU 14 -5.806 -0.216 -2.120
80 HG3 GLU 14 2HG GLU 14 -6.924 -1.115 -1.096
81 H CYS 15 H CYS 15 -2.923 1.531 -0.058
82 HA CYS 15 HA CYS 15 -2.492 3.165 2.134
83 HB2 CYS 15 1HB CYS 15 -0.985 2.526 0.049
84 HB3 CYS 15 2HB CYS 15 -1.541 4.088 -0.542
85 H ASN 16 H ASN 16 -2.137 5.702 1.662
86 HA ASN 16 HA ASN 16 -4.757 6.719 0.776
87 HB2 ASN 16 1HB ASN 16 -2.973 7.937 2.893
88 HB3 ASN 16 2HB ASN 16 -4.606 8.440 2.466
89 HD21 ASN 16 1HD2 ASN 16 -3.989 7.878 5.048
90 HD22 ASN 16 2HD2 ASN 16 -4.766 6.414 5.538
91 H GLU 17 H GLU 17 -1.324 7.570 1.138
92 HA GLU 17 HA GLU 17 -1.468 9.910 -0.455
93 HB2 GLU 17 1HB GLU 17 0.362 9.078 1.240
94 HB3 GLU 17 2HB GLU 17 1.061 8.335 -0.191
95 HG2 GLU 17 1HG GLU 17 2.108 10.440 0.111
96 HG3 GLU 17 2HG GLU 17 1.035 10.576 -1.280
97 H CYS 18 H CYS 18 -0.128 6.682 -1.165
98 HA CYS 18 HA CYS 18 -0.107 7.317 -4.011
99 HB2 CYS 18 1HB CYS 18 1.205 5.336 -4.300
100 HB3 CYS 18 2HB CYS 18 1.837 6.180 -2.890
101 H GLN 19 H GLN 19 -1.972 5.574 -1.699
102 HA GLN 19 HA GLN 19 -3.880 4.347 -1.848
103 HB2 GLN 19 1HB GLN 19 -4.163 5.323 -4.682
104 HB3 GLN 19 2HB GLN 19 -5.434 4.895 -3.544
105 HG2 GLN 19 1HG GLN 19 -4.358 6.886 -2.169
106 HG3 GLN 19 2HG GLN 19 -3.857 7.391 -3.782
107 HE21 GLN 19 1HE2 GLN 19 -6.435 7.131 -1.559
108 HE22 GLN 19 2HE2 GLN 19 -7.668 7.815 -2.556
109 H LYS 20 H LYS 20 -1.731 2.822 -2.154
110 HA LYS 20 HA LYS 20 -2.257 1.115 -4.493
111 HB2 LYS 20 1HB LYS 20 0.198 1.629 -2.850
112 HB3 LYS 20 2HB LYS 20 0.038 0.115 -3.732
113 HG2 LYS 20 1HG LYS 20 -0.378 1.509 -5.797
114 HG3 LYS 20 2HG LYS 20 0.132 2.904 -4.843
115 HD2 LYS 20 1HD LYS 20 2.255 1.626 -4.342
116 HD3 LYS 20 2HD LYS 20 1.744 0.465 -5.570
117 HE2 LYS 20 1HE LYS 20 1.731 2.203 -7.254
118 HE3 LYS 20 2HE LYS 20 2.121 3.421 -6.040
119 HZ1 LYS 20 3HZ LYS 20 3.855 1.176 -6.918
120 HZ2 LYS 20 1HZ LYS 20 4.224 2.227 -5.644
121 HZ3 LYS 20 2HZ LYS 20 4.098 2.823 -7.222
122 H ALA 21 H ALA 21 -3.163 -0.811 -4.192
123 HA ALA 21 HA ALA 21 -3.903 -1.687 -1.574
124 HB1 ALA 21 3HB ALA 21 -4.379 -2.612 -4.349
125 HB2 ALA 21 1HB ALA 21 -4.566 -3.794 -3.054
126 HB3 ALA 21 2HB ALA 21 -5.523 -2.312 -3.040
127 H PHE 22 H PHE 22 -3.129 -3.370 -0.368
128 HA PHE 22 HA PHE 22 -0.687 -4.687 -1.362
129 HB2 PHE 22 1HB PHE 22 -1.314 -3.625 1.391
130 HB3 PHE 22 2HB PHE 22 -0.019 -4.781 1.098
131 HD1 PHE 22 HD2 PHE 22 -1.212 -1.372 0.345
132 HD2 PHE 22 HD1 PHE 22 2.054 -4.098 0.203
133 HE1 PHE 22 HE2 PHE 22 0.304 0.480 -0.225
134 HE2 PHE 22 HE1 PHE 22 3.576 -2.250 -0.366
135 HZ PHE 22 HZ PHE 22 2.702 0.042 -0.582
136 H ASN 23 H ASN 23 -0.193 -6.708 0.030
137 HA ASN 23 HA ASN 23 -2.455 -8.454 -0.222
138 HB2 ASN 23 1HB ASN 23 -0.829 -10.189 0.634
139 HB3 ASN 23 2HB ASN 23 -0.327 -9.353 -0.833
140 HD21 ASN 23 1HD2 ASN 23 0.726 -10.462 2.040
141 HD22 ASN 23 2HD2 ASN 23 2.075 -9.413 2.294
142 H THR 24 H THR 24 -0.391 -7.456 2.505
143 HA THR 24 HA THR 24 -2.656 -8.012 4.302
144 HB THR 24 HB THR 24 -1.077 -8.768 6.035
145 HG1 THR 24 HG1 THR 24 0.941 -8.229 5.694
146 HG21 THR 24 3HG2 THR 24 -1.726 -10.167 3.604
147 HG22 THR 24 1HG2 THR 24 -1.637 -10.781 5.254
148 HG23 THR 24 2HG2 THR 24 -0.188 -10.739 4.249
149 H LYS 25 H LYS 25 -2.216 -6.970 6.530
150 HA LYS 25 HA LYS 25 -1.929 -4.171 6.116
151 HB2 LYS 25 1HB LYS 25 -3.433 -5.236 7.816
152 HB3 LYS 25 2HB LYS 25 -2.002 -5.651 8.749
153 HG2 LYS 25 1HG LYS 25 -2.659 -3.716 9.779
154 HG3 LYS 25 2HG LYS 25 -1.511 -3.091 8.592
155 HD2 LYS 25 1HD LYS 25 -3.196 -2.263 7.216
156 HD3 LYS 25 2HD LYS 25 -4.425 -3.310 7.929
157 HE2 LYS 25 1HE LYS 25 -3.054 -1.114 9.461
158 HE3 LYS 25 2HE LYS 25 -4.541 -0.860 8.550
159 HZ1 LYS 25 3HZ LYS 25 -5.025 -3.082 10.074
160 HZ2 LYS 25 1HZ LYS 25 -5.600 -1.518 10.370
161 HZ3 LYS 25 2HZ LYS 25 -4.177 -2.051 11.113
162 H SER 26 H SER 26 -0.028 -6.480 8.061
163 HA SER 26 HA SER 26 1.950 -4.947 9.045
164 HB2 SER 26 1HB SER 26 2.061 -7.265 9.502
165 HB3 SER 26 2HB SER 26 2.127 -7.683 7.790
166 HG SER 26 HG SER 26 4.145 -7.006 9.501
167 H ASN 27 H ASN 27 1.927 -6.255 5.735
168 HA ASN 27 HA ASN 27 4.339 -5.104 4.896
169 HB2 ASN 27 1HB ASN 27 1.891 -6.071 3.447
170 HB3 ASN 27 2HB ASN 27 3.199 -5.292 2.563
171 HD21 ASN 27 1HD2 ASN 27 2.682 -7.824 4.991
172 HD22 ASN 27 2HD2 ASN 27 3.859 -8.915 4.351
173 H LEU 28 H LEU 28 1.001 -3.922 4.584
174 HA LEU 28 HA LEU 28 1.553 -1.568 3.195
175 HB2 LEU 28 1HB LEU 28 -0.692 -2.234 3.341
176 HB3 LEU 28 2HB LEU 28 -0.631 -2.347 5.099
177 HG LEU 28 HG LEU 28 -0.448 0.138 5.185
178 HD11 LEU 28 1HD1 LEU 28 -0.449 -0.245 2.263
179 HD12 LEU 28 2HD1 LEU 28 0.276 1.028 3.245
180 HD13 LEU 28 3HD1 LEU 28 -1.448 1.074 2.874
181 HD21 LEU 28 3HD2 LEU 28 -2.630 -0.001 5.553
182 HD22 LEU 28 1HD2 LEU 28 -2.711 -1.486 4.605
183 HD23 LEU 28 2HD2 LEU 28 -2.924 0.076 3.815
184 H MET 29 H MET 29 1.203 -2.057 6.708
185 HA MET 29 HA MET 29 1.617 0.487 7.618
186 HB2 MET 29 1HB MET 29 2.684 -2.086 8.792
187 HB3 MET 29 2HB MET 29 2.624 -0.551 9.649
188 HG2 MET 29 1HG MET 29 0.187 -0.529 9.427
189 HG3 MET 29 2HG MET 29 0.258 -2.079 8.591
190 HE1 MET 29 3HE MET 29 -1.305 -2.648 12.201
191 HE2 MET 29 1HE MET 29 -1.016 -0.938 11.879
192 HE3 MET 29 2HE MET 29 -1.660 -1.978 10.608
193 H VAL 30 H VAL 30 4.184 -1.919 7.029
194 HA VAL 30 HA VAL 30 6.349 -0.230 7.561
195 HB VAL 30 HB VAL 30 6.244 -2.585 5.670
196 HG11 VAL 30 1HG1 VAL 30 8.274 -0.717 5.993
197 HG12 VAL 30 2HG1 VAL 30 8.774 -2.089 6.984
198 HG13 VAL 30 3HG1 VAL 30 8.418 -2.319 5.271
199 HG21 VAL 30 3HG2 VAL 30 6.398 -2.331 8.605
200 HG22 VAL 30 1HG2 VAL 30 5.771 -3.644 7.608
201 HG23 VAL 30 2HG2 VAL 30 7.508 -3.488 7.870
202 H HIS 31 H HIS 31 4.475 -0.737 4.634
203 HA HIS 31 HA HIS 31 6.191 0.596 2.839
204 HB2 HIS 31 1HB HIS 31 4.581 -0.663 1.753
205 HB3 HIS 31 2HB HIS 31 3.294 -0.145 2.837
206 HD1 HIS 31 HD1 HIS 31 5.435 1.301 0.051
207 HD2 HIS 31 HD2 HIS 31 1.701 1.793 1.804
208 HE1 HIS 31 HE1 HIS 31 4.247 3.008 -1.364
209 H GLN 32 H GLN 32 3.229 1.762 4.451
210 HA GLN 32 HA GLN 32 2.995 4.290 3.645
211 HB2 GLN 32 1HB GLN 32 2.986 3.449 6.549
212 HB3 GLN 32 2HB GLN 32 2.274 4.928 5.918
213 HG2 GLN 32 1HG GLN 32 0.824 3.459 4.465
214 HG3 GLN 32 2HG GLN 32 1.402 2.099 5.426
215 HE21 GLN 32 1HE2 GLN 32 -1.112 2.196 5.593
216 HE22 GLN 32 2HE2 GLN 32 -1.707 2.983 7.012
217 H ARG 33 H ARG 33 5.403 3.238 6.035
218 HA ARG 33 HA ARG 33 6.559 5.583 6.769
219 HB2 ARG 33 1HB ARG 33 7.714 2.875 6.228
220 HB3 ARG 33 2HB ARG 33 8.789 4.206 6.631
221 HG2 ARG 33 1HG ARG 33 7.625 4.545 8.732
222 HG3 ARG 33 2HG ARG 33 6.484 3.262 8.322
223 HD2 ARG 33 1HD ARG 33 8.352 1.658 8.255
224 HD3 ARG 33 2HD ARG 33 9.457 2.948 8.725
225 HE ARG 33 HE ARG 33 8.778 2.667 10.882
226 HH11 ARG 33 1HH1 ARG 33 6.365 1.310 8.772
227 HH12 ARG 33 2HH1 ARG 33 5.414 0.657 10.065
228 HH21 ARG 33 1HH2 ARG 33 7.535 1.812 12.593
229 HH22 ARG 33 2HH2 ARG 33 6.080 0.944 12.238
230 H THR 34 H THR 34 7.458 3.715 3.869
231 HA THR 34 HA THR 34 9.430 5.125 2.751
232 HB THR 34 HB THR 34 8.524 4.657 0.518
233 HG1 THR 34 HG1 THR 34 6.149 4.393 1.989
234 HG21 THR 34 3HG2 THR 34 8.580 2.325 0.666
235 HG22 THR 34 1HG2 THR 34 7.796 2.312 2.246
236 HG23 THR 34 2HG2 THR 34 9.469 2.850 2.095
237 H HIS 35 H HIS 35 6.055 6.172 2.840
238 HA HIS 35 HA HIS 35 6.401 8.492 1.256
239 HB2 HIS 35 1HB HIS 35 4.314 7.776 3.322
240 HB3 HIS 35 2HB HIS 35 4.233 9.214 2.307
241 HD1 HIS 35 HD1 HIS 35 5.125 7.878 -0.369
242 HD2 HIS 35 HD2 HIS 35 2.247 6.363 2.215
243 HE1 HIS 35 HE1 HIS 35 3.669 6.393 -1.782
244 H THR 36 H THR 36 6.231 8.042 4.784
245 HA THR 36 HA THR 36 7.530 10.672 5.087
246 HB THR 36 HB THR 36 5.433 10.916 6.109
247 HG1 THR 36 HG1 THR 36 6.453 11.664 7.800
248 HG21 THR 36 3HG2 THR 36 4.950 9.028 7.988
249 HG22 THR 36 1HG2 THR 36 5.771 8.062 6.762
250 HG23 THR 36 2HG2 THR 36 4.316 8.966 6.344
251 H GLY 37 H GLY 37 9.581 10.537 5.706
252 HA2 GLY 37 1HA GLY 37 10.891 9.800 7.761
253 HA3 GLY 37 2HA GLY 37 10.417 8.180 7.273
254 H GLU 38 H GLU 38 11.290 7.295 5.339
255 HA GLU 38 HA GLU 38 13.681 8.699 4.346
256 HB2 GLU 38 1HB GLU 38 13.933 6.606 5.948
257 HB3 GLU 38 2HB GLU 38 13.636 5.717 4.461
258 HG2 GLU 38 1HG GLU 38 15.513 7.242 3.499
259 HG3 GLU 38 2HG GLU 38 15.937 7.462 5.195
260 H SER 39 H SER 39 14.356 8.103 2.189
261 HA SER 39 HA SER 39 12.630 6.536 0.520
262 HB2 SER 39 1HB SER 39 11.934 8.380 -0.968
263 HB3 SER 39 2HB SER 39 11.281 8.577 0.658
264 HG SER 39 HG SER 39 12.390 10.350 0.874
265 H GLY 40 H GLY 40 13.754 5.753 -1.162
266 HA2 GLY 40 1HA GLY 40 16.524 6.369 -1.417
267 HA3 GLY 40 2HA GLY 40 15.602 5.289 -2.452
268 HA PRO 41 HA PRO 41 16.830 8.933 -5.007
269 HB2 PRO 41 1HB PRO 41 17.487 7.461 -7.192
270 HB3 PRO 41 2HB PRO 41 18.618 7.779 -5.872
271 HG2 PRO 41 1HG PRO 41 16.960 5.343 -6.399
272 HG3 PRO 41 2HG PRO 41 18.653 5.454 -5.884
273 HD2 PRO 41 1HD PRO 41 16.636 4.929 -4.156
274 HD3 PRO 41 2HD PRO 41 18.090 5.831 -3.681
275 H SER 42 H SER 42 14.337 6.786 -4.865
276 HA SER 42 HA SER 42 13.066 6.662 -7.264
277 HB2 SER 42 1HB SER 42 12.150 5.699 -5.195
278 HB3 SER 42 2HB SER 42 11.757 7.316 -4.612
279 HG SER 42 HG SER 42 10.601 7.309 -6.855
280 H SER 43 H SER 43 13.358 8.374 -8.641
281 HA SER 43 HA SER 43 13.035 11.082 -7.997
282 HB2 SER 43 1HB SER 43 14.193 10.309 -10.029
283 HB3 SER 43 2HB SER 43 12.659 9.733 -10.682
284 HG SER 43 HG SER 43 13.585 12.353 -10.340
285 H GLY 44 H GLY 44 11.284 12.233 -7.535
286 HA2 GLY 44 1HA GLY 44 8.955 12.540 -8.803
287 HA3 GLY 44 2HA GLY 44 8.655 11.049 -7.922
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -16.736 -29.284 -10.606
2 HA2 GLY 1 1HA GLY 1 -14.776 -29.184 -12.057
3 HA3 GLY 1 2HA GLY 1 -15.976 -28.045 -12.649
4 H SER 2 H SER 2 -15.508 -25.912 -12.687
5 HA SER 2 HA SER 2 -12.864 -25.052 -12.585
6 HB2 SER 2 1HB SER 2 -13.675 -22.889 -13.027
7 HB3 SER 2 2HB SER 2 -14.913 -23.946 -13.704
8 HG SER 2 HG SER 2 -15.750 -23.649 -11.338
9 H SER 3 H SER 3 -12.134 -23.136 -11.186
10 HA SER 3 HA SER 3 -12.781 -23.734 -8.373
11 HB2 SER 3 1HB SER 3 -10.437 -22.953 -7.881
12 HB3 SER 3 2HB SER 3 -10.528 -24.442 -8.822
13 HG SER 3 HG SER 3 -9.393 -22.088 -9.472
14 H GLY 4 H GLY 4 -11.518 -21.149 -10.484
15 HA2 GLY 4 1HA GLY 4 -12.559 -18.993 -10.591
16 HA3 GLY 4 2HA GLY 4 -13.147 -19.236 -8.953
17 H SER 5 H SER 5 -10.587 -18.067 -10.920
18 HA SER 5 HA SER 5 -8.848 -17.617 -8.611
19 HB2 SER 5 1HB SER 5 -8.462 -17.557 -11.577
20 HB3 SER 5 2HB SER 5 -7.375 -16.610 -10.561
21 HG SER 5 HG SER 5 -7.854 -19.404 -10.421
22 H SER 6 H SER 6 -8.802 -15.738 -7.580
23 HA SER 6 HA SER 6 -10.513 -13.674 -7.819
24 HB2 SER 6 1HB SER 6 -8.790 -13.957 -6.017
25 HB3 SER 6 2HB SER 6 -7.596 -13.272 -7.120
26 HG SER 6 HG SER 6 -8.382 -11.349 -6.769
27 H GLY 7 H GLY 7 -10.983 -12.171 -9.280
28 HA2 GLY 7 1HA GLY 7 -9.258 -11.849 -11.595
29 HA3 GLY 7 2HA GLY 7 -10.870 -11.178 -11.391
30 H THR 8 H THR 8 -11.113 -9.271 -10.074
31 HA THR 8 HA THR 8 -9.099 -7.342 -10.591
32 HB THR 8 HB THR 8 -10.504 -5.788 -9.294
33 HG1 THR 8 HG1 THR 8 -12.427 -7.797 -8.903
34 HG21 THR 8 3HG2 THR 8 -12.194 -5.651 -10.858
35 HG22 THR 8 1HG2 THR 8 -12.429 -7.397 -10.915
36 HG23 THR 8 2HG2 THR 8 -11.031 -6.670 -11.707
37 H GLY 9 H GLY 9 -7.985 -6.021 -9.007
38 HA2 GLY 9 1HA GLY 9 -7.069 -7.653 -6.746
39 HA3 GLY 9 2HA GLY 9 -6.209 -6.291 -7.448
40 H GLU 10 H GLU 10 -9.224 -7.047 -5.712
41 HA GLU 10 HA GLU 10 -9.132 -4.377 -4.503
42 HB2 GLU 10 1HB GLU 10 -11.356 -6.424 -4.474
43 HB3 GLU 10 2HB GLU 10 -11.450 -4.790 -3.832
44 HG2 GLU 10 1HG GLU 10 -10.792 -5.280 -6.709
45 HG3 GLU 10 2HG GLU 10 -12.460 -5.271 -6.140
46 H LYS 11 H LYS 11 -7.490 -4.763 -2.989
47 HA LYS 11 HA LYS 11 -7.813 -6.890 -1.046
48 HB2 LYS 11 1HB LYS 11 -5.713 -4.887 -1.700
49 HB3 LYS 11 2HB LYS 11 -5.764 -5.492 -0.049
50 HG2 LYS 11 1HG LYS 11 -4.246 -6.875 -1.174
51 HG3 LYS 11 2HG LYS 11 -5.733 -7.820 -1.054
52 HD2 LYS 11 1HD LYS 11 -5.334 -6.144 -3.477
53 HD3 LYS 11 2HD LYS 11 -4.379 -7.620 -3.325
54 HE2 LYS 11 1HE LYS 11 -7.378 -7.516 -3.045
55 HE3 LYS 11 2HE LYS 11 -6.544 -7.888 -4.553
56 HZ1 LYS 11 3HZ LYS 11 -5.390 -9.692 -3.169
57 HZ2 LYS 11 1HZ LYS 11 -6.989 -9.957 -3.653
58 HZ3 LYS 11 2HZ LYS 11 -6.655 -9.471 -2.068
59 HA PRO 12 HA PRO 12 -9.929 -4.609 2.051
60 HB2 PRO 12 1HB PRO 12 -8.868 -5.681 4.309
61 HB3 PRO 12 2HB PRO 12 -9.998 -6.556 3.269
62 HG2 PRO 12 1HG PRO 12 -7.012 -6.736 3.396
63 HG3 PRO 12 2HG PRO 12 -8.207 -8.040 3.261
64 HD2 PRO 12 1HD PRO 12 -6.816 -7.111 1.131
65 HD3 PRO 12 2HD PRO 12 -8.475 -7.729 0.993
66 H TYR 13 H TYR 13 -6.588 -4.316 1.593
67 HA TYR 13 HA TYR 13 -6.493 -2.009 3.425
68 HB2 TYR 13 1HB TYR 13 -4.147 -3.740 2.626
69 HB3 TYR 13 2HB TYR 13 -4.138 -2.424 3.794
70 HD1 TYR 13 HD2 TYR 13 -5.302 -2.701 5.972
71 HD2 TYR 13 HD1 TYR 13 -4.870 -5.929 3.234
72 HE1 TYR 13 HE2 TYR 13 -5.819 -4.292 7.775
73 HE2 TYR 13 HE1 TYR 13 -5.386 -7.529 5.029
74 HH TYR 13 HH TYR 13 -6.654 -7.461 7.246
75 H GLU 14 H GLU 14 -5.917 -0.096 2.578
76 HA GLU 14 HA GLU 14 -4.575 -0.003 -0.014
77 HB2 GLU 14 1HB GLU 14 -7.326 1.018 0.564
78 HB3 GLU 14 2HB GLU 14 -6.307 1.904 -0.562
79 HG2 GLU 14 1HG GLU 14 -6.304 0.206 -2.112
80 HG3 GLU 14 2HG GLU 14 -6.665 -1.033 -0.912
81 H CYS 15 H CYS 15 -3.123 1.602 -0.154
82 HA CYS 15 HA CYS 15 -2.478 3.133 2.138
83 HB2 CYS 15 1HB CYS 15 -1.018 2.333 0.080
84 HB3 CYS 15 2HB CYS 15 -1.463 3.912 -0.560
85 H ASN 16 H ASN 16 -2.556 5.383 2.458
86 HA ASN 16 HA ASN 16 -4.728 6.701 0.981
87 HB2 ASN 16 1HB ASN 16 -4.713 8.272 2.993
88 HB3 ASN 16 2HB ASN 16 -5.267 6.626 3.286
89 HD21 ASN 16 1HD2 ASN 16 -4.774 7.178 5.519
90 HD22 ASN 16 2HD2 ASN 16 -3.156 6.978 6.091
91 H GLU 17 H GLU 17 -1.558 6.516 0.714
92 HA GLU 17 HA GLU 17 -1.187 9.396 0.215
93 HB2 GLU 17 1HB GLU 17 0.725 7.260 1.102
94 HB3 GLU 17 2HB GLU 17 1.318 8.692 0.272
95 HG2 GLU 17 1HG GLU 17 -0.474 9.005 2.631
96 HG3 GLU 17 2HG GLU 17 1.226 8.609 2.873
97 H CYS 18 H CYS 18 -0.470 6.147 -1.005
98 HA CYS 18 HA CYS 18 0.070 7.312 -3.651
99 HB2 CYS 18 1HB CYS 18 1.184 5.186 -4.182
100 HB3 CYS 18 2HB CYS 18 1.890 5.941 -2.757
101 H GLN 19 H GLN 19 -2.254 5.647 -1.872
102 HA GLN 19 HA GLN 19 -4.251 4.699 -2.407
103 HB2 GLN 19 1HB GLN 19 -3.597 6.248 -4.874
104 HB3 GLN 19 2HB GLN 19 -4.946 5.120 -4.922
105 HG2 GLN 19 1HG GLN 19 -5.564 7.471 -4.386
106 HG3 GLN 19 2HG GLN 19 -6.089 6.280 -3.198
107 HE21 GLN 19 1HE2 GLN 19 -5.669 6.704 -1.152
108 HE22 GLN 19 2HE2 GLN 19 -4.500 7.834 -0.568
109 H LYS 20 H LYS 20 -2.188 2.958 -2.349
110 HA LYS 20 HA LYS 20 -2.546 1.251 -4.719
111 HB2 LYS 20 1HB LYS 20 -0.311 1.580 -2.753
112 HB3 LYS 20 2HB LYS 20 -0.499 0.050 -3.599
113 HG2 LYS 20 1HG LYS 20 -0.237 1.120 -5.724
114 HG3 LYS 20 2HG LYS 20 -0.254 2.717 -4.972
115 HD2 LYS 20 1HD LYS 20 2.018 2.204 -5.429
116 HD3 LYS 20 2HD LYS 20 1.797 2.009 -3.689
117 HE2 LYS 20 1HE LYS 20 1.336 -0.472 -4.280
118 HE3 LYS 20 2HE LYS 20 2.135 -0.084 -5.803
119 HZ1 LYS 20 3HZ LYS 20 4.104 -0.185 -4.819
120 HZ2 LYS 20 1HZ LYS 20 3.343 -0.771 -3.427
121 HZ3 LYS 20 2HZ LYS 20 3.634 0.886 -3.597
122 H ALA 21 H ALA 21 -2.079 -1.190 -3.978
123 HA ALA 21 HA ALA 21 -3.842 -1.733 -1.679
124 HB1 ALA 21 3HB ALA 21 -5.272 -2.618 -3.142
125 HB2 ALA 21 1HB ALA 21 -4.090 -2.565 -4.450
126 HB3 ALA 21 2HB ALA 21 -4.108 -3.929 -3.331
127 H PHE 22 H PHE 22 -3.258 -3.362 -0.303
128 HA PHE 22 HA PHE 22 -0.771 -4.810 -0.919
129 HB2 PHE 22 1HB PHE 22 -1.530 -3.443 1.665
130 HB3 PHE 22 2HB PHE 22 -0.225 -4.618 1.542
131 HD1 PHE 22 HD2 PHE 22 -1.375 -1.297 0.425
132 HD2 PHE 22 HD1 PHE 22 1.888 -4.019 0.675
133 HE1 PHE 22 HE2 PHE 22 0.169 0.497 -0.247
134 HE2 PHE 22 HE1 PHE 22 3.437 -2.229 0.004
135 HZ PHE 22 HZ PHE 22 2.578 0.032 -0.459
136 H ASN 23 H ASN 23 -0.867 -6.947 -0.635
137 HA ASN 23 HA ASN 23 -3.186 -8.356 -0.251
138 HB2 ASN 23 1HB ASN 23 -1.864 -10.314 -0.043
139 HB3 ASN 23 2HB ASN 23 -0.933 -9.222 -1.064
140 HD21 ASN 23 1HD2 ASN 23 0.476 -7.674 0.372
141 HD22 ASN 23 2HD2 ASN 23 1.439 -8.489 1.552
142 H THR 24 H THR 24 -0.761 -7.528 2.208
143 HA THR 24 HA THR 24 -2.765 -8.174 4.272
144 HB THR 24 HB THR 24 -0.835 -8.614 5.807
145 HG1 THR 24 HG1 THR 24 0.986 -7.864 4.976
146 HG21 THR 24 3HG2 THR 24 -0.202 -10.819 4.677
147 HG22 THR 24 1HG2 THR 24 -1.259 -10.312 3.360
148 HG23 THR 24 2HG2 THR 24 -1.916 -10.536 4.982
149 H LYS 25 H LYS 25 -2.147 -7.032 6.422
150 HA LYS 25 HA LYS 25 -2.141 -4.209 5.876
151 HB2 LYS 25 1HB LYS 25 -3.526 -5.378 7.656
152 HB3 LYS 25 2HB LYS 25 -2.041 -5.534 8.586
153 HG2 LYS 25 1HG LYS 25 -1.835 -3.003 8.360
154 HG3 LYS 25 2HG LYS 25 -3.516 -3.037 7.825
155 HD2 LYS 25 1HD LYS 25 -2.786 -4.461 10.338
156 HD3 LYS 25 2HD LYS 25 -2.896 -2.700 10.365
157 HE2 LYS 25 1HE LYS 25 -5.179 -2.946 9.325
158 HE3 LYS 25 2HE LYS 25 -5.045 -4.677 9.629
159 HZ1 LYS 25 3HZ LYS 25 -4.457 -3.715 12.033
160 HZ2 LYS 25 1HZ LYS 25 -6.032 -4.102 11.552
161 HZ3 LYS 25 2HZ LYS 25 -5.501 -2.498 11.494
162 H SER 26 H SER 26 -0.093 -6.312 7.906
163 HA SER 26 HA SER 26 1.810 -4.663 8.803
164 HB2 SER 26 1HB SER 26 1.811 -7.161 9.035
165 HB3 SER 26 2HB SER 26 2.505 -7.263 7.417
166 HG SER 26 HG SER 26 3.652 -5.952 9.660
167 H ASN 27 H ASN 27 1.837 -6.022 5.512
168 HA ASN 27 HA ASN 27 4.147 -4.809 4.579
169 HB2 ASN 27 1HB ASN 27 2.532 -6.530 3.452
170 HB3 ASN 27 2HB ASN 27 1.756 -5.094 2.789
171 HD21 ASN 27 1HD2 ASN 27 3.439 -3.476 1.885
172 HD22 ASN 27 2HD2 ASN 27 4.630 -4.170 0.843
173 H LEU 28 H LEU 28 0.807 -3.593 4.422
174 HA LEU 28 HA LEU 28 1.356 -1.184 3.120
175 HB2 LEU 28 1HB LEU 28 -0.891 -1.876 3.269
176 HB3 LEU 28 2HB LEU 28 -0.812 -2.013 5.025
177 HG LEU 28 HG LEU 28 -0.630 0.466 5.150
178 HD11 LEU 28 1HD1 LEU 28 -0.704 1.835 3.333
179 HD12 LEU 28 2HD1 LEU 28 -1.594 0.673 2.350
180 HD13 LEU 28 3HD1 LEU 28 0.136 0.459 2.618
181 HD21 LEU 28 3HD2 LEU 28 -2.980 0.890 4.673
182 HD22 LEU 28 1HD2 LEU 28 -2.772 -0.679 5.450
183 HD23 LEU 28 2HD2 LEU 28 -3.065 -0.588 3.713
184 H MET 29 H MET 29 0.890 -1.738 6.616
185 HA MET 29 HA MET 29 1.398 0.753 7.594
186 HB2 MET 29 1HB MET 29 2.315 -1.893 8.730
187 HB3 MET 29 2HB MET 29 2.330 -0.377 9.622
188 HG2 MET 29 1HG MET 29 -0.161 -0.248 9.126
189 HG3 MET 29 2HG MET 29 -0.031 -1.935 8.633
190 HE1 MET 29 3HE MET 29 -0.551 -3.860 11.498
191 HE2 MET 29 1HE MET 29 -0.128 -3.704 9.793
192 HE3 MET 29 2HE MET 29 1.142 -3.883 11.003
193 H VAL 30 H VAL 30 3.890 -1.739 7.033
194 HA VAL 30 HA VAL 30 6.100 -0.138 7.651
195 HB VAL 30 HB VAL 30 5.957 -2.467 5.732
196 HG11 VAL 30 1HG1 VAL 30 8.207 -0.835 6.774
197 HG12 VAL 30 2HG1 VAL 30 8.453 -2.575 6.616
198 HG13 VAL 30 3HG1 VAL 30 8.005 -1.615 5.206
199 HG21 VAL 30 3HG2 VAL 30 5.920 -3.839 7.491
200 HG22 VAL 30 1HG2 VAL 30 7.184 -2.931 8.319
201 HG23 VAL 30 2HG2 VAL 30 5.499 -2.429 8.462
202 H HIS 31 H HIS 31 4.666 -0.891 4.479
203 HA HIS 31 HA HIS 31 6.365 0.511 2.838
204 HB2 HIS 31 1HB HIS 31 4.769 -0.706 1.683
205 HB3 HIS 31 2HB HIS 31 3.446 -0.125 2.690
206 HD1 HIS 31 HD1 HIS 31 5.790 1.204 0.010
207 HD2 HIS 31 HD2 HIS 31 1.986 1.857 1.549
208 HE1 HIS 31 HE1 HIS 31 4.747 2.935 -1.486
209 H GLN 32 H GLN 32 3.415 1.779 4.386
210 HA GLN 32 HA GLN 32 3.261 4.306 3.534
211 HB2 GLN 32 1HB GLN 32 3.046 3.274 6.352
212 HB3 GLN 32 2HB GLN 32 2.720 4.957 5.963
213 HG2 GLN 32 1HG GLN 32 1.095 3.988 4.203
214 HG3 GLN 32 2HG GLN 32 1.214 2.509 5.155
215 HE21 GLN 32 1HE2 GLN 32 -1.183 3.188 5.179
216 HE22 GLN 32 2HE2 GLN 32 -1.676 4.110 6.554
217 H ARG 33 H ARG 33 5.596 3.205 5.973
218 HA ARG 33 HA ARG 33 6.807 5.503 6.734
219 HB2 ARG 33 1HB ARG 33 8.074 2.857 6.031
220 HB3 ARG 33 2HB ARG 33 8.972 4.174 6.774
221 HG2 ARG 33 1HG ARG 33 7.259 4.129 8.629
222 HG3 ARG 33 2HG ARG 33 6.676 2.620 7.926
223 HD2 ARG 33 1HD ARG 33 8.170 1.786 9.436
224 HD3 ARG 33 2HD ARG 33 9.235 1.985 8.045
225 HE ARG 33 HE ARG 33 10.422 3.475 9.285
226 HH11 ARG 33 1HH1 ARG 33 7.160 3.402 10.499
227 HH12 ARG 33 2HH1 ARG 33 7.476 4.518 11.786
228 HH21 ARG 33 1HH2 ARG 33 10.850 4.945 10.975
229 HH22 ARG 33 2HH2 ARG 33 9.575 5.396 12.055
230 H THR 34 H THR 34 7.700 3.663 3.814
231 HA THR 34 HA THR 34 9.697 5.087 2.740
232 HB THR 34 HB THR 34 8.854 4.601 0.496
233 HG1 THR 34 HG1 THR 34 6.776 4.380 0.140
234 HG21 THR 34 3HG2 THR 34 9.522 2.771 2.383
235 HG22 THR 34 1HG2 THR 34 9.209 2.379 0.692
236 HG23 THR 34 2HG2 THR 34 7.934 2.178 1.895
237 H HIS 35 H HIS 35 6.275 6.031 2.488
238 HA HIS 35 HA HIS 35 6.649 8.372 1.009
239 HB2 HIS 35 1HB HIS 35 4.515 7.704 3.046
240 HB3 HIS 35 2HB HIS 35 4.441 9.066 1.931
241 HD1 HIS 35 HD1 HIS 35 5.037 7.966 -0.722
242 HD2 HIS 35 HD2 HIS 35 2.899 5.777 2.088
243 HE1 HIS 35 HE1 HIS 35 3.745 6.258 -2.041
244 H THR 36 H THR 36 6.372 7.959 4.535
245 HA THR 36 HA THR 36 7.066 10.721 5.012
246 HB THR 36 HB THR 36 5.472 9.516 6.486
247 HG1 THR 36 HG1 THR 36 7.783 10.796 7.400
248 HG21 THR 36 3HG2 THR 36 6.062 7.398 6.975
249 HG22 THR 36 1HG2 THR 36 6.990 8.137 8.279
250 HG23 THR 36 2HG2 THR 36 7.782 7.722 6.759
251 H GLY 37 H GLY 37 9.065 9.355 3.571
252 HA2 GLY 37 1HA GLY 37 11.373 10.113 4.935
253 HA3 GLY 37 2HA GLY 37 11.157 8.392 5.218
254 H GLU 38 H GLU 38 10.601 10.429 2.350
255 HA GLU 38 HA GLU 38 12.527 8.736 0.901
256 HB2 GLU 38 1HB GLU 38 10.170 8.206 0.305
257 HB3 GLU 38 2HB GLU 38 9.960 9.870 -0.220
258 HG2 GLU 38 1HG GLU 38 10.337 8.492 -2.136
259 HG3 GLU 38 2HG GLU 38 11.743 9.528 -1.894
260 H SER 39 H SER 39 14.160 9.838 0.061
261 HA SER 39 HA SER 39 13.867 12.740 -0.291
262 HB2 SER 39 1HB SER 39 16.180 10.962 0.365
263 HB3 SER 39 2HB SER 39 16.491 12.484 -0.468
264 HG SER 39 HG SER 39 16.404 13.297 1.467
265 H GLY 40 H GLY 40 12.825 12.571 -2.335
266 HA2 GLY 40 1HA GLY 40 14.092 13.115 -4.576
267 HA3 GLY 40 2HA GLY 40 14.372 11.382 -4.515
268 HA PRO 41 HA PRO 41 10.601 10.827 -6.697
269 HB2 PRO 41 1HB PRO 41 10.074 8.251 -6.021
270 HB3 PRO 41 2HB PRO 41 11.349 8.704 -7.157
271 HG2 PRO 41 1HG PRO 41 11.559 8.007 -4.254
272 HG3 PRO 41 2HG PRO 41 12.598 7.509 -5.602
273 HD2 PRO 41 1HD PRO 41 13.280 9.497 -3.895
274 HD3 PRO 41 2HD PRO 41 13.764 9.497 -5.603
275 H SER 42 H SER 42 8.728 11.709 -6.106
276 HA SER 42 HA SER 42 7.524 10.871 -3.549
277 HB2 SER 42 1HB SER 42 8.272 13.209 -3.453
278 HB3 SER 42 2HB SER 42 7.322 13.579 -4.892
279 HG SER 42 HG SER 42 5.576 13.653 -3.714
280 H SER 43 H SER 43 5.935 9.499 -4.031
281 HA SER 43 HA SER 43 4.084 8.580 -4.984
282 HB2 SER 43 1HB SER 43 3.425 11.447 -5.702
283 HB3 SER 43 2HB SER 43 2.285 10.105 -5.596
284 HG SER 43 HG SER 43 3.865 10.701 -3.364
285 H GLY 44 H GLY 44 6.351 8.492 -6.581
286 HA2 GLY 44 1HA GLY 44 5.434 9.183 -9.282
287 HA3 GLY 44 2HA GLY 44 7.072 8.726 -8.836
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -3.896 -1.671 -24.828
2 HA2 GLY 1 1HA GLY 1 -4.338 -3.481 -23.073
3 HA3 GLY 1 2HA GLY 1 -2.681 -2.901 -23.169
4 H SER 2 H SER 2 -5.769 -2.052 -21.603
5 HA SER 2 HA SER 2 -4.495 -2.002 -19.019
6 HB2 SER 2 1HB SER 2 -3.933 0.243 -19.888
7 HB3 SER 2 2HB SER 2 -5.648 0.563 -20.142
8 HG SER 2 HG SER 2 -5.337 1.383 -18.182
9 H SER 3 H SER 3 -5.898 -2.862 -17.650
10 HA SER 3 HA SER 3 -8.775 -2.439 -18.131
11 HB2 SER 3 1HB SER 3 -7.490 -4.926 -16.978
12 HB3 SER 3 2HB SER 3 -9.206 -4.690 -17.310
13 HG SER 3 HG SER 3 -8.186 -4.192 -19.569
14 H GLY 4 H GLY 4 -10.138 -2.448 -16.244
15 HA2 GLY 4 1HA GLY 4 -9.132 -0.894 -14.130
16 HA3 GLY 4 2HA GLY 4 -10.683 -1.720 -14.138
17 H SER 5 H SER 5 -9.471 -1.543 -11.774
18 HA SER 5 HA SER 5 -7.588 -3.441 -11.049
19 HB2 SER 5 1HB SER 5 -9.941 -2.564 -9.360
20 HB3 SER 5 2HB SER 5 -8.402 -3.199 -8.780
21 HG SER 5 HG SER 5 -8.402 -0.948 -8.649
22 H SER 6 H SER 6 -7.586 -5.587 -10.813
23 HA SER 6 HA SER 6 -10.149 -7.010 -10.673
24 HB2 SER 6 1HB SER 6 -9.145 -6.937 -13.044
25 HB3 SER 6 2HB SER 6 -7.904 -8.019 -12.413
26 HG SER 6 HG SER 6 -9.312 -9.510 -12.882
27 H GLY 7 H GLY 7 -10.160 -8.802 -9.390
28 HA2 GLY 7 1HA GLY 7 -8.600 -10.666 -8.575
29 HA3 GLY 7 2HA GLY 7 -7.658 -9.332 -7.925
30 H THR 8 H THR 8 -10.544 -11.244 -7.596
31 HA THR 8 HA THR 8 -12.165 -11.340 -5.975
32 HB THR 8 HB THR 8 -11.290 -11.528 -3.691
33 HG1 THR 8 HG1 THR 8 -8.804 -11.272 -3.721
34 HG21 THR 8 3HG2 THR 8 -10.657 -13.135 -5.833
35 HG22 THR 8 1HG2 THR 8 -10.418 -13.546 -4.136
36 HG23 THR 8 2HG2 THR 8 -9.090 -12.860 -5.072
37 H GLY 9 H GLY 9 -12.046 -8.779 -7.115
38 HA2 GLY 9 1HA GLY 9 -13.141 -6.781 -6.686
39 HA3 GLY 9 2HA GLY 9 -13.277 -7.255 -4.999
40 H GLU 10 H GLU 10 -12.463 -5.616 -3.857
41 HA GLU 10 HA GLU 10 -9.862 -4.511 -4.689
42 HB2 GLU 10 1HB GLU 10 -12.214 -3.279 -3.290
43 HB3 GLU 10 2HB GLU 10 -10.606 -2.593 -3.099
44 HG2 GLU 10 1HG GLU 10 -10.448 -2.309 -5.526
45 HG3 GLU 10 2HG GLU 10 -12.073 -2.969 -5.700
46 H LYS 11 H LYS 11 -8.164 -4.717 -3.368
47 HA LYS 11 HA LYS 11 -8.165 -6.465 -1.202
48 HB2 LYS 11 1HB LYS 11 -6.222 -4.286 -1.968
49 HB3 LYS 11 2HB LYS 11 -5.919 -5.435 -0.672
50 HG2 LYS 11 1HG LYS 11 -4.813 -6.409 -2.431
51 HG3 LYS 11 2HG LYS 11 -6.379 -7.219 -2.507
52 HD2 LYS 11 1HD LYS 11 -7.005 -6.125 -4.417
53 HD3 LYS 11 2HD LYS 11 -6.027 -4.701 -4.051
54 HE2 LYS 11 1HE LYS 11 -5.015 -5.788 -5.907
55 HE3 LYS 11 2HE LYS 11 -3.996 -6.103 -4.504
56 HZ1 LYS 11 3HZ LYS 11 -5.091 -8.278 -4.293
57 HZ2 LYS 11 1HZ LYS 11 -4.275 -8.109 -5.765
58 HZ3 LYS 11 2HZ LYS 11 -5.960 -7.973 -5.712
59 HA PRO 12 HA PRO 12 -9.741 -4.104 2.162
60 HB2 PRO 12 1HB PRO 12 -8.583 -5.449 4.217
61 HB3 PRO 12 2HB PRO 12 -9.933 -6.102 3.280
62 HG2 PRO 12 1HG PRO 12 -7.004 -6.672 3.033
63 HG3 PRO 12 2HG PRO 12 -8.372 -7.799 2.980
64 HD2 PRO 12 1HD PRO 12 -7.121 -6.920 0.745
65 HD3 PRO 12 2HD PRO 12 -8.853 -7.309 0.780
66 H TYR 13 H TYR 13 -6.517 -4.120 1.235
67 HA TYR 13 HA TYR 13 -5.850 -2.065 3.240
68 HB2 TYR 13 1HB TYR 13 -3.836 -3.805 1.818
69 HB3 TYR 13 2HB TYR 13 -3.568 -2.756 3.206
70 HD1 TYR 13 HD2 TYR 13 -4.890 -3.365 5.368
71 HD2 TYR 13 HD1 TYR 13 -4.220 -6.070 2.153
72 HE1 TYR 13 HE2 TYR 13 -5.300 -5.258 6.883
73 HE2 TYR 13 HE1 TYR 13 -4.629 -7.971 3.659
74 HH TYR 13 HH TYR 13 -6.118 -7.744 6.542
75 H GLU 14 H GLU 14 -6.153 -0.178 2.223
76 HA GLU 14 HA GLU 14 -4.848 0.183 -0.394
77 HB2 GLU 14 1HB GLU 14 -7.553 1.029 0.549
78 HB3 GLU 14 2HB GLU 14 -6.698 2.057 -0.593
79 HG2 GLU 14 1HG GLU 14 -6.793 0.499 -2.279
80 HG3 GLU 14 2HG GLU 14 -6.968 -0.855 -1.164
81 H CYS 15 H CYS 15 -3.336 1.707 -0.446
82 HA CYS 15 HA CYS 15 -2.704 3.235 1.872
83 HB2 CYS 15 1HB CYS 15 -1.172 2.341 -0.072
84 HB3 CYS 15 2HB CYS 15 -1.567 3.886 -0.819
85 H ASN 16 H ASN 16 -3.437 5.162 2.468
86 HA ASN 16 HA ASN 16 -5.227 6.617 0.721
87 HB2 ASN 16 1HB ASN 16 -5.615 8.054 2.686
88 HB3 ASN 16 2HB ASN 16 -5.819 6.349 3.078
89 HD21 ASN 16 1HD2 ASN 16 -5.196 8.652 4.784
90 HD22 ASN 16 2HD2 ASN 16 -3.725 8.249 5.596
91 H GLU 17 H GLU 17 -2.274 6.460 0.209
92 HA GLU 17 HA GLU 17 -1.816 9.358 -0.006
93 HB2 GLU 17 1HB GLU 17 -0.008 7.245 1.067
94 HB3 GLU 17 2HB GLU 17 0.712 8.550 0.135
95 HG2 GLU 17 1HG GLU 17 -0.057 10.188 1.659
96 HG3 GLU 17 2HG GLU 17 -1.097 9.028 2.484
97 H CYS 18 H CYS 18 -0.890 6.151 -1.221
98 HA CYS 18 HA CYS 18 -0.466 7.372 -3.870
99 HB2 CYS 18 1HB CYS 18 1.131 5.609 -4.354
100 HB3 CYS 18 2HB CYS 18 1.593 6.425 -2.864
101 H GLN 19 H GLN 19 -2.546 5.518 -2.114
102 HA GLN 19 HA GLN 19 -4.263 4.113 -2.615
103 HB2 GLN 19 1HB GLN 19 -3.896 5.002 -5.474
104 HB3 GLN 19 2HB GLN 19 -5.368 4.418 -4.711
105 HG2 GLN 19 1HG GLN 19 -4.940 6.511 -3.146
106 HG3 GLN 19 2HG GLN 19 -4.086 7.084 -4.578
107 HE21 GLN 19 1HE2 GLN 19 -7.092 6.639 -3.088
108 HE22 GLN 19 2HE2 GLN 19 -8.093 7.128 -4.408
109 H LYS 20 H LYS 20 -1.820 2.870 -2.441
110 HA LYS 20 HA LYS 20 -1.779 0.956 -4.669
111 HB2 LYS 20 1HB LYS 20 0.353 2.090 -4.105
112 HB3 LYS 20 2HB LYS 20 0.274 1.394 -2.492
113 HG2 LYS 20 1HG LYS 20 0.776 -0.722 -3.229
114 HG3 LYS 20 2HG LYS 20 0.180 -0.411 -4.861
115 HD2 LYS 20 1HD LYS 20 2.100 0.994 -5.326
116 HD3 LYS 20 2HD LYS 20 2.674 0.800 -3.668
117 HE2 LYS 20 1HE LYS 20 2.789 -1.673 -4.111
118 HE3 LYS 20 2HE LYS 20 2.469 -1.311 -5.807
119 HZ1 LYS 20 3HZ LYS 20 4.781 -0.319 -4.228
120 HZ2 LYS 20 1HZ LYS 20 4.471 0.050 -5.850
121 HZ3 LYS 20 2HZ LYS 20 4.831 -1.540 -5.398
122 H ALA 21 H ALA 21 -2.835 -0.881 -4.369
123 HA ALA 21 HA ALA 21 -3.696 -1.730 -1.767
124 HB1 ALA 21 3HB ALA 21 -4.459 -3.783 -3.182
125 HB2 ALA 21 1HB ALA 21 -5.269 -2.227 -3.374
126 HB3 ALA 21 2HB ALA 21 -4.061 -2.744 -4.551
127 H PHE 22 H PHE 22 -3.103 -3.594 -0.649
128 HA PHE 22 HA PHE 22 -0.658 -4.942 -1.574
129 HB2 PHE 22 1HB PHE 22 -1.223 -3.834 1.177
130 HB3 PHE 22 2HB PHE 22 0.047 -5.012 0.861
131 HD1 PHE 22 HD2 PHE 22 -1.143 -1.638 -0.139
132 HD2 PHE 22 HD1 PHE 22 2.155 -4.309 0.195
133 HE1 PHE 22 HE2 PHE 22 0.392 0.188 -0.739
134 HE2 PHE 22 HE1 PHE 22 3.696 -2.486 -0.403
135 HZ PHE 22 HZ PHE 22 2.815 -0.234 -0.872
136 H ASN 23 H ASN 23 -0.254 -6.881 0.092
137 HA ASN 23 HA ASN 23 -2.722 -8.452 -0.005
138 HB2 ASN 23 1HB ASN 23 -0.603 -9.289 -1.093
139 HB3 ASN 23 2HB ASN 23 0.082 -9.448 0.521
140 HD21 ASN 23 1HD2 ASN 23 -0.187 -11.310 1.523
141 HD22 ASN 23 2HD2 ASN 23 -1.337 -12.529 1.102
142 H THR 24 H THR 24 -0.066 -7.663 2.215
143 HA THR 24 HA THR 24 -1.797 -8.494 4.452
144 HB THR 24 HB THR 24 0.260 -8.832 5.772
145 HG1 THR 24 HG1 THR 24 2.207 -9.000 4.214
146 HG21 THR 24 3HG2 THR 24 0.387 -10.372 3.181
147 HG22 THR 24 1HG2 THR 24 -0.795 -10.684 4.451
148 HG23 THR 24 2HG2 THR 24 0.925 -10.905 4.774
149 H LYS 25 H LYS 25 -1.951 -7.169 6.259
150 HA LYS 25 HA LYS 25 -1.865 -4.399 5.812
151 HB2 LYS 25 1HB LYS 25 -3.199 -5.833 7.555
152 HB3 LYS 25 2HB LYS 25 -1.805 -5.535 8.584
153 HG2 LYS 25 1HG LYS 25 -2.138 -3.161 8.441
154 HG3 LYS 25 2HG LYS 25 -3.436 -3.376 7.264
155 HD2 LYS 25 1HD LYS 25 -4.769 -4.551 8.940
156 HD3 LYS 25 2HD LYS 25 -3.467 -4.364 10.117
157 HE2 LYS 25 1HE LYS 25 -4.898 -2.622 10.656
158 HE3 LYS 25 2HE LYS 25 -3.705 -1.837 9.624
159 HZ1 LYS 25 3HZ LYS 25 -6.392 -2.780 8.780
160 HZ2 LYS 25 1HZ LYS 25 -5.241 -2.080 7.757
161 HZ3 LYS 25 2HZ LYS 25 -5.926 -1.170 9.007
162 H SER 26 H SER 26 0.196 -6.417 7.910
163 HA SER 26 HA SER 26 1.911 -4.628 8.961
164 HB2 SER 26 1HB SER 26 1.958 -7.234 9.010
165 HB3 SER 26 2HB SER 26 3.080 -7.070 7.659
166 HG SER 26 HG SER 26 4.373 -7.027 9.398
167 H ASN 27 H ASN 27 2.395 -6.096 5.746
168 HA ASN 27 HA ASN 27 4.633 -4.641 4.994
169 HB2 ASN 27 1HB ASN 27 2.433 -5.989 3.473
170 HB3 ASN 27 2HB ASN 27 3.601 -5.002 2.599
171 HD21 ASN 27 1HD2 ASN 27 4.541 -6.679 1.515
172 HD22 ASN 27 2HD2 ASN 27 5.498 -7.891 2.290
173 H LEU 28 H LEU 28 1.203 -3.860 4.520
174 HA LEU 28 HA LEU 28 1.522 -1.513 3.051
175 HB2 LEU 28 1HB LEU 28 -0.639 -2.400 3.174
176 HB3 LEU 28 2HB LEU 28 -0.603 -2.475 4.934
177 HG LEU 28 HG LEU 28 -0.703 0.012 4.981
178 HD11 LEU 28 1HD1 LEU 28 0.021 -0.138 2.352
179 HD12 LEU 28 2HD1 LEU 28 -0.651 1.286 3.145
180 HD13 LEU 28 3HD1 LEU 28 -1.707 0.199 2.244
181 HD21 LEU 28 3HD2 LEU 28 -2.961 -0.032 4.999
182 HD22 LEU 28 1HD2 LEU 28 -2.710 -1.767 4.803
183 HD23 LEU 28 2HD2 LEU 28 -3.069 -0.764 3.397
184 H MET 29 H MET 29 1.134 -1.895 6.574
185 HA MET 29 HA MET 29 1.263 0.722 7.369
186 HB2 MET 29 1HB MET 29 2.354 -1.773 8.654
187 HB3 MET 29 2HB MET 29 2.453 -0.206 9.446
188 HG2 MET 29 1HG MET 29 -0.166 -1.243 8.451
189 HG3 MET 29 2HG MET 29 0.489 -1.778 9.997
190 HE1 MET 29 3HE MET 29 0.314 0.024 12.338
191 HE2 MET 29 1HE MET 29 -1.382 0.442 12.095
192 HE3 MET 29 2HE MET 29 -0.792 -1.154 11.631
193 H VAL 30 H VAL 30 4.100 -1.443 7.222
194 HA VAL 30 HA VAL 30 6.032 0.525 7.629
195 HB VAL 30 HB VAL 30 6.298 -2.039 6.053
196 HG11 VAL 30 1HG1 VAL 30 8.091 0.050 6.173
197 HG12 VAL 30 2HG1 VAL 30 8.661 -1.049 7.430
198 HG13 VAL 30 3HG1 VAL 30 8.473 -1.624 5.773
199 HG21 VAL 30 3HG2 VAL 30 6.372 -1.386 8.955
200 HG22 VAL 30 1HG2 VAL 30 5.724 -2.804 8.131
201 HG23 VAL 30 2HG2 VAL 30 7.466 -2.629 8.347
202 H HIS 31 H HIS 31 4.503 -0.598 4.659
203 HA HIS 31 HA HIS 31 6.165 0.686 2.811
204 HB2 HIS 31 1HB HIS 31 4.733 -0.805 1.791
205 HB3 HIS 31 2HB HIS 31 3.355 -0.320 2.773
206 HD1 HIS 31 HD1 HIS 31 5.375 0.851 -0.199
207 HD2 HIS 31 HD2 HIS 31 1.701 1.535 1.616
208 HE1 HIS 31 HE1 HIS 31 4.104 2.327 -1.790
209 H GLN 32 H GLN 32 3.565 1.894 4.801
210 HA GLN 32 HA GLN 32 3.339 4.396 3.394
211 HB2 GLN 32 1HB GLN 32 2.262 3.532 6.083
212 HB3 GLN 32 2HB GLN 32 1.854 5.038 5.270
213 HG2 GLN 32 1HG GLN 32 1.095 3.517 3.330
214 HG3 GLN 32 2HG GLN 32 1.098 2.240 4.545
215 HE21 GLN 32 1HE2 GLN 32 -0.621 2.030 5.816
216 HE22 GLN 32 2HE2 GLN 32 -1.926 3.155 5.928
217 H ARG 33 H ARG 33 5.406 3.107 5.769
218 HA ARG 33 HA ARG 33 6.047 5.588 7.070
219 HB2 ARG 33 1HB ARG 33 7.101 2.791 7.170
220 HB3 ARG 33 2HB ARG 33 8.082 4.096 7.824
221 HG2 ARG 33 1HG ARG 33 5.889 4.712 9.103
222 HG3 ARG 33 2HG ARG 33 5.468 3.030 8.773
223 HD2 ARG 33 1HD ARG 33 7.189 2.206 10.070
224 HD3 ARG 33 2HD ARG 33 8.150 3.676 9.911
225 HE ARG 33 HE ARG 33 5.706 4.062 11.366
226 HH11 ARG 33 1HH1 ARG 33 9.035 3.067 11.591
227 HH12 ARG 33 2HH1 ARG 33 9.167 3.437 13.278
228 HH21 ARG 33 1HH2 ARG 33 5.868 4.554 13.587
229 HH22 ARG 33 2HH2 ARG 33 7.365 4.282 14.413
230 H THR 34 H THR 34 7.492 3.580 4.546
231 HA THR 34 HA THR 34 9.895 4.998 4.248
232 HB THR 34 HB THR 34 9.480 2.769 3.248
233 HG1 THR 34 HG1 THR 34 10.391 3.440 1.091
234 HG21 THR 34 3HG2 THR 34 7.691 2.411 1.972
235 HG22 THR 34 1HG2 THR 34 8.322 3.541 0.775
236 HG23 THR 34 2HG2 THR 34 7.268 4.120 2.066
237 H HIS 35 H HIS 35 6.668 5.634 3.098
238 HA HIS 35 HA HIS 35 7.018 7.295 0.965
239 HB2 HIS 35 1HB HIS 35 5.059 7.294 3.224
240 HB3 HIS 35 2HB HIS 35 5.043 8.641 2.089
241 HD1 HIS 35 HD1 HIS 35 5.635 6.961 -0.492
242 HD2 HIS 35 HD2 HIS 35 2.769 6.045 2.373
243 HE1 HIS 35 HE1 HIS 35 3.941 5.524 -1.671
244 H THR 36 H THR 36 7.180 8.260 4.387
245 HA THR 36 HA THR 36 8.118 10.908 3.665
246 HB THR 36 HB THR 36 6.555 10.429 5.618
247 HG1 THR 36 HG1 THR 36 8.870 11.806 6.476
248 HG21 THR 36 3HG2 THR 36 7.318 9.485 7.573
249 HG22 THR 36 1HG2 THR 36 9.004 9.871 7.229
250 HG23 THR 36 2HG2 THR 36 8.215 8.537 6.387
251 H GLY 37 H GLY 37 10.177 11.616 3.731
252 HA2 GLY 37 1HA GLY 37 12.407 11.627 4.568
253 HA3 GLY 37 2HA GLY 37 12.208 9.944 5.033
254 H GLU 38 H GLU 38 13.995 9.147 3.992
255 HA GLU 38 HA GLU 38 14.450 9.729 1.196
256 HB2 GLU 38 1HB GLU 38 15.854 7.800 3.055
257 HB3 GLU 38 2HB GLU 38 16.385 8.220 1.432
258 HG2 GLU 38 1HG GLU 38 16.495 10.618 2.243
259 HG3 GLU 38 2HG GLU 38 16.308 9.966 3.870
260 H SER 39 H SER 39 13.081 8.820 -0.206
261 HA SER 39 HA SER 39 12.204 6.058 0.231
262 HB2 SER 39 1HB SER 39 11.158 8.333 -1.428
263 HB3 SER 39 2HB SER 39 10.690 6.674 -1.800
264 HG SER 39 HG SER 39 9.619 8.235 -0.007
265 H GLY 40 H GLY 40 14.217 5.098 -0.365
266 HA2 GLY 40 1HA GLY 40 15.782 4.240 -1.824
267 HA3 GLY 40 2HA GLY 40 14.391 4.053 -2.882
268 HA PRO 41 HA PRO 41 17.426 6.798 -5.031
269 HB2 PRO 41 1HB PRO 41 17.145 5.595 -7.448
270 HB3 PRO 41 2HB PRO 41 18.274 5.021 -6.215
271 HG2 PRO 41 1HG PRO 41 15.543 4.006 -6.902
272 HG3 PRO 41 2HG PRO 41 17.019 3.091 -6.545
273 HD2 PRO 41 1HD PRO 41 15.060 3.467 -4.714
274 HD3 PRO 41 2HD PRO 41 16.773 3.340 -4.267
275 H SER 42 H SER 42 14.435 5.496 -6.484
276 HA SER 42 HA SER 42 13.919 8.004 -7.830
277 HB2 SER 42 1HB SER 42 12.054 6.883 -8.853
278 HB3 SER 42 2HB SER 42 13.412 5.758 -8.849
279 HG SER 42 HG SER 42 11.406 4.823 -8.145
280 H SER 43 H SER 43 12.757 9.627 -7.045
281 HA SER 43 HA SER 43 11.639 9.524 -4.432
282 HB2 SER 43 1HB SER 43 12.601 11.547 -5.835
283 HB3 SER 43 2HB SER 43 10.921 11.709 -6.346
284 HG SER 43 HG SER 43 10.719 12.759 -4.536
285 H GLY 44 H GLY 44 9.858 8.369 -4.036
286 HA2 GLY 44 1HA GLY 44 7.390 8.623 -4.152
287 HA3 GLY 44 2HA GLY 44 7.583 8.682 -5.897
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -2.195 0.284 -26.176
2 HA2 GLY 1 1HA GLY 1 -1.823 2.878 -27.101
3 HA3 GLY 1 2HA GLY 1 -3.532 2.520 -27.298
4 H SER 2 H SER 2 -4.778 3.101 -25.660
5 HA SER 2 HA SER 2 -3.685 2.984 -22.935
6 HB2 SER 2 1HB SER 2 -3.784 5.353 -24.083
7 HB3 SER 2 2HB SER 2 -5.499 5.245 -23.686
8 HG SER 2 HG SER 2 -4.437 4.558 -21.499
9 H SER 3 H SER 3 -5.188 2.584 -21.297
10 HA SER 3 HA SER 3 -7.993 2.373 -21.831
11 HB2 SER 3 1HB SER 3 -7.029 0.290 -22.904
12 HB3 SER 3 2HB SER 3 -6.547 -0.226 -21.288
13 HG SER 3 HG SER 3 -9.122 0.068 -22.372
14 H GLY 4 H GLY 4 -8.695 3.275 -20.006
15 HA2 GLY 4 1HA GLY 4 -7.465 3.541 -17.594
16 HA3 GLY 4 2HA GLY 4 -9.211 3.430 -17.763
17 H SER 5 H SER 5 -7.507 2.484 -15.590
18 HA SER 5 HA SER 5 -7.114 -0.287 -15.668
19 HB2 SER 5 1HB SER 5 -7.547 1.659 -13.411
20 HB3 SER 5 2HB SER 5 -7.343 -0.066 -13.105
21 HG SER 5 HG SER 5 -5.297 0.036 -13.762
22 H SER 6 H SER 6 -8.362 -2.027 -15.060
23 HA SER 6 HA SER 6 -11.088 -1.617 -14.156
24 HB2 SER 6 1HB SER 6 -10.925 -1.552 -16.774
25 HB3 SER 6 2HB SER 6 -10.762 -3.300 -16.616
26 HG SER 6 HG SER 6 -12.862 -1.825 -15.415
27 H GLY 7 H GLY 7 -11.692 -3.196 -12.806
28 HA2 GLY 7 1HA GLY 7 -10.942 -5.921 -13.105
29 HA3 GLY 7 2HA GLY 7 -9.946 -5.143 -11.885
30 H THR 8 H THR 8 -11.324 -7.149 -10.944
31 HA THR 8 HA THR 8 -13.744 -6.000 -9.718
32 HB THR 8 HB THR 8 -14.354 -8.391 -9.200
33 HG1 THR 8 HG1 THR 8 -13.170 -9.803 -10.891
34 HG21 THR 8 3HG2 THR 8 -15.146 -6.995 -11.210
35 HG22 THR 8 1HG2 THR 8 -15.379 -8.741 -11.277
36 HG23 THR 8 2HG2 THR 8 -14.049 -7.995 -12.162
37 H GLY 9 H GLY 9 -11.176 -8.369 -8.958
38 HA2 GLY 9 1HA GLY 9 -11.463 -8.472 -6.227
39 HA3 GLY 9 2HA GLY 9 -9.922 -8.651 -7.051
40 H GLU 10 H GLU 10 -10.705 -7.352 -4.466
41 HA GLU 10 HA GLU 10 -9.104 -4.967 -4.832
42 HB2 GLU 10 1HB GLU 10 -11.967 -4.847 -3.886
43 HB3 GLU 10 2HB GLU 10 -10.804 -3.565 -3.582
44 HG2 GLU 10 1HG GLU 10 -10.462 -3.452 -6.079
45 HG3 GLU 10 2HG GLU 10 -11.868 -4.505 -6.226
46 H LYS 11 H LYS 11 -7.624 -5.122 -3.296
47 HA LYS 11 HA LYS 11 -7.881 -6.764 -1.012
48 HB2 LYS 11 1HB LYS 11 -5.880 -4.759 -1.966
49 HB3 LYS 11 2HB LYS 11 -5.791 -5.316 -0.300
50 HG2 LYS 11 1HG LYS 11 -5.185 -7.437 -0.892
51 HG3 LYS 11 2HG LYS 11 -5.992 -7.349 -2.460
52 HD2 LYS 11 1HD LYS 11 -3.670 -5.555 -1.956
53 HD3 LYS 11 2HD LYS 11 -3.360 -7.266 -2.256
54 HE2 LYS 11 1HE LYS 11 -4.653 -7.106 -4.347
55 HE3 LYS 11 2HE LYS 11 -4.892 -5.385 -4.050
56 HZ1 LYS 11 3HZ LYS 11 -2.318 -6.771 -4.557
57 HZ2 LYS 11 1HZ LYS 11 -2.435 -5.156 -4.066
58 HZ3 LYS 11 2HZ LYS 11 -3.084 -5.637 -5.552
59 HA PRO 12 HA PRO 12 -9.975 -4.133 1.827
60 HB2 PRO 12 1HB PRO 12 -9.087 -5.208 4.157
61 HB3 PRO 12 2HB PRO 12 -10.272 -6.010 3.119
62 HG2 PRO 12 1HG PRO 12 -7.324 -6.481 3.343
63 HG3 PRO 12 2HG PRO 12 -8.640 -7.664 3.224
64 HD2 PRO 12 1HD PRO 12 -7.108 -6.971 1.102
65 HD3 PRO 12 2HD PRO 12 -8.816 -7.425 0.938
66 H TYR 13 H TYR 13 -6.633 -4.151 1.407
67 HA TYR 13 HA TYR 13 -6.306 -1.883 3.261
68 HB2 TYR 13 1HB TYR 13 -4.106 -3.685 2.241
69 HB3 TYR 13 2HB TYR 13 -3.984 -2.460 3.498
70 HD1 TYR 13 HD2 TYR 13 -5.244 -2.828 5.666
71 HD2 TYR 13 HD1 TYR 13 -4.723 -5.895 2.763
72 HE1 TYR 13 HE2 TYR 13 -5.757 -4.522 7.373
73 HE2 TYR 13 HE1 TYR 13 -5.236 -7.598 4.462
74 HH TYR 13 HH TYR 13 -5.046 -7.249 7.532
75 H GLU 14 H GLU 14 -5.886 0.032 2.383
76 HA GLU 14 HA GLU 14 -4.525 0.191 -0.194
77 HB2 GLU 14 1HB GLU 14 -7.330 1.048 0.340
78 HB3 GLU 14 2HB GLU 14 -6.343 2.057 -0.708
79 HG2 GLU 14 1HG GLU 14 -7.502 0.602 -2.132
80 HG3 GLU 14 2HG GLU 14 -5.858 -0.028 -2.046
81 H CYS 15 H CYS 15 -2.996 1.695 -0.127
82 HA CYS 15 HA CYS 15 -2.539 3.301 2.133
83 HB2 CYS 15 1HB CYS 15 -0.933 2.493 0.213
84 HB3 CYS 15 2HB CYS 15 -1.383 4.023 -0.533
85 H ASN 16 H ASN 16 -3.125 5.322 2.667
86 HA ASN 16 HA ASN 16 -5.082 6.654 0.987
87 HB2 ASN 16 1HB ASN 16 -4.069 7.202 3.781
88 HB3 ASN 16 2HB ASN 16 -5.244 8.226 2.961
89 HD21 ASN 16 1HD2 ASN 16 -7.022 6.731 1.863
90 HD22 ASN 16 2HD2 ASN 16 -7.761 5.625 2.966
91 H GLU 17 H GLU 17 -2.101 6.539 0.407
92 HA GLU 17 HA GLU 17 -1.736 9.439 0.048
93 HB2 GLU 17 1HB GLU 17 0.258 7.357 0.897
94 HB3 GLU 17 2HB GLU 17 0.781 8.839 0.108
95 HG2 GLU 17 1HG GLU 17 -0.699 9.961 1.967
96 HG3 GLU 17 2HG GLU 17 -0.402 8.438 2.803
97 H CYS 18 H CYS 18 -0.570 6.277 -1.118
98 HA CYS 18 HA CYS 18 -0.321 7.432 -3.807
99 HB2 CYS 18 1HB CYS 18 1.090 5.486 -4.321
100 HB3 CYS 18 2HB CYS 18 1.705 6.373 -2.930
101 H GLN 19 H GLN 19 -2.384 5.568 -1.952
102 HA GLN 19 HA GLN 19 -4.229 4.322 -2.418
103 HB2 GLN 19 1HB GLN 19 -3.791 5.633 -5.094
104 HB3 GLN 19 2HB GLN 19 -5.132 4.533 -4.804
105 HG2 GLN 19 1HG GLN 19 -5.723 6.925 -4.584
106 HG3 GLN 19 2HG GLN 19 -6.045 5.973 -3.136
107 HE21 GLN 19 1HE2 GLN 19 -5.475 6.903 -1.317
108 HE22 GLN 19 2HE2 GLN 19 -4.211 8.062 -1.111
109 H LYS 20 H LYS 20 -1.817 2.967 -2.382
110 HA LYS 20 HA LYS 20 -2.034 1.047 -4.599
111 HB2 LYS 20 1HB LYS 20 0.183 2.256 -3.962
112 HB3 LYS 20 2HB LYS 20 0.236 1.103 -2.635
113 HG2 LYS 20 1HG LYS 20 0.306 -0.742 -4.146
114 HG3 LYS 20 2HG LYS 20 0.002 0.312 -5.529
115 HD2 LYS 20 1HD LYS 20 2.143 1.436 -5.138
116 HD3 LYS 20 2HD LYS 20 2.445 0.380 -3.756
117 HE2 LYS 20 1HE LYS 20 1.841 -0.879 -6.380
118 HE3 LYS 20 2HE LYS 20 3.426 -0.140 -6.161
119 HZ1 LYS 20 3HZ LYS 20 2.285 -2.503 -4.885
120 HZ2 LYS 20 1HZ LYS 20 3.299 -1.534 -3.938
121 HZ3 LYS 20 2HZ LYS 20 3.874 -2.202 -5.381
122 H ALA 21 H ALA 21 -2.909 -0.875 -4.220
123 HA ALA 21 HA ALA 21 -3.754 -1.618 -1.585
124 HB1 ALA 21 3HB ALA 21 -5.279 -2.286 -3.176
125 HB2 ALA 21 1HB ALA 21 -4.031 -2.805 -4.309
126 HB3 ALA 21 2HB ALA 21 -4.396 -3.785 -2.889
127 H PHE 22 H PHE 22 -3.144 -3.474 -0.410
128 HA PHE 22 HA PHE 22 -0.596 -4.707 -1.200
129 HB2 PHE 22 1HB PHE 22 -1.293 -3.537 1.496
130 HB3 PHE 22 2HB PHE 22 0.054 -4.642 1.245
131 HD1 PHE 22 HD2 PHE 22 -1.322 -1.398 0.057
132 HD2 PHE 22 HD1 PHE 22 2.131 -3.814 0.653
133 HE1 PHE 22 HE2 PHE 22 0.111 0.501 -0.570
134 HE2 PHE 22 HE1 PHE 22 3.570 -1.919 0.027
135 HZ PHE 22 HZ PHE 22 2.560 0.242 -0.587
136 H ASN 23 H ASN 23 -0.195 -6.793 -0.267
137 HA ASN 23 HA ASN 23 -2.415 -8.493 -0.284
138 HB2 ASN 23 1HB ASN 23 -0.075 -9.197 -0.760
139 HB3 ASN 23 2HB ASN 23 0.289 -9.043 0.956
140 HD21 ASN 23 1HD2 ASN 23 0.594 -11.050 1.635
141 HD22 ASN 23 2HD2 ASN 23 -0.509 -12.362 1.417
142 H THR 24 H THR 24 -0.433 -7.403 2.466
143 HA THR 24 HA THR 24 -2.758 -7.848 4.210
144 HB THR 24 HB THR 24 -1.326 -8.717 5.986
145 HG1 THR 24 HG1 THR 24 0.890 -9.372 5.157
146 HG21 THR 24 3HG2 THR 24 -0.379 -10.715 4.308
147 HG22 THR 24 1HG2 THR 24 -1.771 -10.057 3.450
148 HG23 THR 24 2HG2 THR 24 -1.957 -10.668 5.094
149 H LYS 25 H LYS 25 -2.542 -6.701 6.320
150 HA LYS 25 HA LYS 25 -2.011 -3.974 5.920
151 HB2 LYS 25 1HB LYS 25 -3.566 -5.062 7.635
152 HB3 LYS 25 2HB LYS 25 -2.131 -5.306 8.621
153 HG2 LYS 25 1HG LYS 25 -1.743 -2.812 8.433
154 HG3 LYS 25 2HG LYS 25 -3.372 -2.711 7.761
155 HD2 LYS 25 1HD LYS 25 -4.140 -3.956 9.844
156 HD3 LYS 25 2HD LYS 25 -2.537 -3.621 10.504
157 HE2 LYS 25 1HE LYS 25 -2.924 -1.363 10.656
158 HE3 LYS 25 2HE LYS 25 -4.112 -1.369 9.354
159 HZ1 LYS 25 3HZ LYS 25 -5.711 -2.370 10.805
160 HZ2 LYS 25 1HZ LYS 25 -5.086 -0.999 11.573
161 HZ3 LYS 25 2HZ LYS 25 -4.571 -2.540 12.043
162 H SER 26 H SER 26 -0.259 -6.333 7.942
163 HA SER 26 HA SER 26 1.768 -4.870 8.939
164 HB2 SER 26 1HB SER 26 1.591 -7.272 9.325
165 HB3 SER 26 2HB SER 26 2.045 -7.597 7.652
166 HG SER 26 HG SER 26 3.995 -6.211 8.370
167 H ASN 27 H ASN 27 1.543 -6.025 5.607
168 HA ASN 27 HA ASN 27 4.095 -5.101 4.792
169 HB2 ASN 27 1HB ASN 27 1.605 -5.683 3.173
170 HB3 ASN 27 2HB ASN 27 3.199 -5.386 2.485
171 HD21 ASN 27 1HD2 ASN 27 2.357 -7.612 1.657
172 HD22 ASN 27 2HD2 ASN 27 2.958 -8.976 2.531
173 H LEU 28 H LEU 28 0.844 -3.702 4.591
174 HA LEU 28 HA LEU 28 1.543 -1.386 3.162
175 HB2 LEU 28 1HB LEU 28 -0.739 -1.925 3.277
176 HB3 LEU 28 2HB LEU 28 -0.706 -2.049 5.035
177 HG LEU 28 HG LEU 28 -0.334 0.440 5.097
178 HD11 LEU 28 1HD1 LEU 28 -1.327 0.452 2.271
179 HD12 LEU 28 2HD1 LEU 28 0.398 0.439 2.632
180 HD13 LEU 28 3HD1 LEU 28 -0.612 1.765 3.207
181 HD21 LEU 28 3HD2 LEU 28 -2.513 -0.588 5.536
182 HD22 LEU 28 1HD2 LEU 28 -2.883 -0.535 3.812
183 HD23 LEU 28 2HD2 LEU 28 -2.681 0.966 4.716
184 H MET 29 H MET 29 1.138 -1.889 6.666
185 HA MET 29 HA MET 29 1.668 0.617 7.613
186 HB2 MET 29 1HB MET 29 2.702 -1.973 8.782
187 HB3 MET 29 2HB MET 29 2.541 -0.450 9.647
188 HG2 MET 29 1HG MET 29 0.200 -1.817 8.365
189 HG3 MET 29 2HG MET 29 0.732 -2.188 10.003
190 HE1 MET 29 3HE MET 29 1.346 0.232 11.622
191 HE2 MET 29 1HE MET 29 -0.264 0.765 12.107
192 HE3 MET 29 2HE MET 29 0.104 -0.957 12.020
193 H VAL 30 H VAL 30 4.118 -1.886 6.940
194 HA VAL 30 HA VAL 30 6.363 -0.315 7.520
195 HB VAL 30 HB VAL 30 6.138 -2.611 5.569
196 HG11 VAL 30 1HG1 VAL 30 8.684 -2.049 6.944
197 HG12 VAL 30 2HG1 VAL 30 8.378 -2.601 5.296
198 HG13 VAL 30 3HG1 VAL 30 8.209 -0.893 5.700
199 HG21 VAL 30 3HG2 VAL 30 6.894 -4.008 7.391
200 HG22 VAL 30 1HG2 VAL 30 7.014 -2.606 8.455
201 HG23 VAL 30 2HG2 VAL 30 5.436 -3.144 7.878
202 H HIS 31 H HIS 31 4.599 -0.811 4.493
203 HA HIS 31 HA HIS 31 6.336 0.564 2.785
204 HB2 HIS 31 1HB HIS 31 4.738 -0.612 1.614
205 HB3 HIS 31 2HB HIS 31 3.441 -0.154 2.714
206 HD1 HIS 31 HD1 HIS 31 5.439 1.195 -0.185
207 HD2 HIS 31 HD2 HIS 31 1.991 2.064 1.963
208 HE1 HIS 31 HE1 HIS 31 4.286 3.020 -1.474
209 H GLN 32 H GLN 32 3.318 1.778 4.259
210 HA GLN 32 HA GLN 32 3.238 4.337 3.505
211 HB2 GLN 32 1HB GLN 32 2.922 3.364 6.349
212 HB3 GLN 32 2HB GLN 32 2.382 4.933 5.766
213 HG2 GLN 32 1HG GLN 32 1.022 3.592 4.047
214 HG3 GLN 32 2HG GLN 32 1.318 2.217 5.109
215 HE21 GLN 32 1HE2 GLN 32 -0.724 4.741 4.436
216 HE22 GLN 32 2HE2 GLN 32 -1.596 4.795 5.927
217 H ARG 33 H ARG 33 5.488 3.056 5.912
218 HA ARG 33 HA ARG 33 6.630 5.341 6.893
219 HB2 ARG 33 1HB ARG 33 8.068 2.798 6.112
220 HB3 ARG 33 2HB ARG 33 8.704 4.033 7.189
221 HG2 ARG 33 1HG ARG 33 6.800 3.613 8.718
222 HG3 ARG 33 2HG ARG 33 6.297 2.290 7.663
223 HD2 ARG 33 1HD ARG 33 7.554 1.344 9.454
224 HD3 ARG 33 2HD ARG 33 8.555 1.272 8.004
225 HE ARG 33 HE ARG 33 9.344 3.579 9.138
226 HH11 ARG 33 1HH1 ARG 33 8.949 0.357 10.396
227 HH12 ARG 33 2HH1 ARG 33 10.202 0.525 11.580
228 HH21 ARG 33 1HH2 ARG 33 10.996 3.813 10.693
229 HH22 ARG 33 2HH2 ARG 33 11.366 2.491 11.749
230 H THR 34 H THR 34 7.571 3.637 3.914
231 HA THR 34 HA THR 34 9.686 5.055 3.028
232 HB THR 34 HB THR 34 9.017 4.625 0.746
233 HG1 THR 34 HG1 THR 34 6.442 3.926 1.741
234 HG21 THR 34 3HG2 THR 34 9.496 2.713 2.496
235 HG22 THR 34 1HG2 THR 34 8.992 2.329 0.850
236 HG23 THR 34 2HG2 THR 34 7.815 2.293 2.163
237 H HIS 35 H HIS 35 6.313 6.022 2.372
238 HA HIS 35 HA HIS 35 6.603 8.330 1.026
239 HB2 HIS 35 1HB HIS 35 4.726 7.647 3.272
240 HB3 HIS 35 2HB HIS 35 4.644 9.215 2.474
241 HD1 HIS 35 HD1 HIS 35 4.696 8.735 -0.384
242 HD2 HIS 35 HD2 HIS 35 2.892 6.010 2.181
243 HE1 HIS 35 HE1 HIS 35 3.099 7.422 -1.815
244 H THR 36 H THR 36 6.408 8.377 4.589
245 HA THR 36 HA THR 36 7.359 11.010 4.849
246 HB THR 36 HB THR 36 6.124 10.009 6.660
247 HG1 THR 36 HG1 THR 36 7.560 10.548 8.370
248 HG21 THR 36 3HG2 THR 36 8.390 8.026 6.744
249 HG22 THR 36 1HG2 THR 36 6.674 7.704 6.499
250 HG23 THR 36 2HG2 THR 36 7.255 8.241 8.076
251 H GLY 37 H GLY 37 9.360 11.871 5.086
252 HA2 GLY 37 1HA GLY 37 11.668 11.881 5.512
253 HA3 GLY 37 2HA GLY 37 11.657 10.124 5.495
254 H GLU 38 H GLU 38 12.248 9.070 3.681
255 HA GLU 38 HA GLU 38 13.114 10.723 1.430
256 HB2 GLU 38 1HB GLU 38 14.726 9.145 2.453
257 HB3 GLU 38 2HB GLU 38 13.672 7.809 2.011
258 HG2 GLU 38 1HG GLU 38 15.496 8.003 0.442
259 HG3 GLU 38 2HG GLU 38 13.964 8.361 -0.352
260 H SER 39 H SER 39 11.178 11.111 0.365
261 HA SER 39 HA SER 39 9.241 9.170 -0.245
262 HB2 SER 39 1HB SER 39 9.174 11.788 -0.422
263 HB3 SER 39 2HB SER 39 9.730 11.499 -2.070
264 HG SER 39 HG SER 39 7.551 11.462 -2.203
265 H GLY 40 H GLY 40 9.792 7.331 -1.256
266 HA2 GLY 40 1HA GLY 40 11.819 7.193 -3.267
267 HA3 GLY 40 2HA GLY 40 10.722 5.900 -2.805
268 HA PRO 41 HA PRO 41 9.524 8.180 -6.882
269 HB2 PRO 41 1HB PRO 41 10.989 6.817 -8.717
270 HB3 PRO 41 2HB PRO 41 11.551 8.310 -7.956
271 HG2 PRO 41 1HG PRO 41 12.233 5.471 -7.291
272 HG3 PRO 41 2HG PRO 41 13.300 6.884 -7.393
273 HD2 PRO 41 1HD PRO 41 12.393 5.910 -5.035
274 HD3 PRO 41 2HD PRO 41 12.711 7.637 -5.295
275 H SER 42 H SER 42 10.489 4.761 -6.580
276 HA SER 42 HA SER 42 8.821 3.538 -8.334
277 HB2 SER 42 1HB SER 42 9.260 2.543 -5.510
278 HB3 SER 42 2HB SER 42 8.889 1.569 -6.933
279 HG SER 42 HG SER 42 11.279 2.456 -6.047
280 H SER 43 H SER 43 7.912 3.973 -4.910
281 HA SER 43 HA SER 43 5.176 3.404 -5.363
282 HB2 SER 43 1HB SER 43 4.841 4.201 -3.054
283 HB3 SER 43 2HB SER 43 6.221 3.108 -3.162
284 HG SER 43 HG SER 43 7.385 5.283 -3.491
285 H GLY 44 H GLY 44 3.411 4.729 -5.601
286 HA2 GLY 44 1HA GLY 44 3.119 7.403 -5.196
287 HA3 GLY 44 2HA GLY 44 3.924 7.318 -6.755
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -7.197 13.460 -20.252
2 HA2 GLY 1 1HA GLY 1 -9.268 12.346 -20.477
3 HA3 GLY 1 2HA GLY 1 -8.554 11.319 -21.712
4 H SER 2 H SER 2 -10.130 10.406 -19.536
5 HA SER 2 HA SER 2 -8.384 9.332 -17.519
6 HB2 SER 2 1HB SER 2 -11.304 9.138 -18.139
7 HB3 SER 2 2HB SER 2 -10.582 7.936 -17.069
8 HG SER 2 HG SER 2 -11.408 10.289 -16.383
9 H SER 3 H SER 3 -7.352 7.437 -17.518
10 HA SER 3 HA SER 3 -8.204 5.293 -19.296
11 HB2 SER 3 1HB SER 3 -6.481 6.830 -20.464
12 HB3 SER 3 2HB SER 3 -5.311 6.126 -19.348
13 HG SER 3 HG SER 3 -5.781 5.105 -21.551
14 H GLY 4 H GLY 4 -6.833 3.289 -18.923
15 HA2 GLY 4 1HA GLY 4 -5.106 2.680 -16.986
16 HA3 GLY 4 2HA GLY 4 -6.566 2.943 -16.044
17 H SER 5 H SER 5 -5.864 0.599 -15.564
18 HA SER 5 HA SER 5 -6.578 -1.339 -17.578
19 HB2 SER 5 1HB SER 5 -5.916 -1.709 -14.646
20 HB3 SER 5 2HB SER 5 -6.079 -3.006 -15.830
21 HG SER 5 HG SER 5 -3.900 -1.765 -15.259
22 H SER 6 H SER 6 -8.616 -1.800 -18.038
23 HA SER 6 HA SER 6 -10.764 -1.159 -16.241
24 HB2 SER 6 1HB SER 6 -10.540 -2.214 -19.023
25 HB3 SER 6 2HB SER 6 -12.047 -2.497 -18.151
26 HG SER 6 HG SER 6 -12.537 -0.473 -18.401
27 H GLY 7 H GLY 7 -10.318 -2.486 -14.428
28 HA2 GLY 7 1HA GLY 7 -11.475 -5.132 -14.663
29 HA3 GLY 7 2HA GLY 7 -9.779 -5.114 -14.203
30 H THR 8 H THR 8 -12.479 -5.756 -12.840
31 HA THR 8 HA THR 8 -12.759 -3.914 -10.702
32 HB THR 8 HB THR 8 -14.585 -5.418 -11.333
33 HG1 THR 8 HG1 THR 8 -15.245 -5.580 -9.294
34 HG21 THR 8 3HG2 THR 8 -14.347 -7.626 -11.575
35 HG22 THR 8 1HG2 THR 8 -13.624 -7.791 -9.976
36 HG23 THR 8 2HG2 THR 8 -12.613 -7.382 -11.362
37 H GLY 9 H GLY 9 -11.673 -3.720 -8.843
38 HA2 GLY 9 1HA GLY 9 -10.177 -5.986 -7.777
39 HA3 GLY 9 2HA GLY 9 -9.233 -4.578 -8.243
40 H GLU 10 H GLU 10 -10.232 -6.026 -5.624
41 HA GLU 10 HA GLU 10 -10.460 -3.531 -4.129
42 HB2 GLU 10 1HB GLU 10 -12.399 -4.175 -2.911
43 HB3 GLU 10 2HB GLU 10 -12.782 -4.383 -4.614
44 HG2 GLU 10 1HG GLU 10 -13.659 -6.262 -3.514
45 HG3 GLU 10 2HG GLU 10 -12.197 -6.816 -4.328
46 H LYS 11 H LYS 11 -9.464 -3.587 -2.180
47 HA LYS 11 HA LYS 11 -8.711 -6.161 -1.023
48 HB2 LYS 11 1HB LYS 11 -6.757 -4.022 -1.867
49 HB3 LYS 11 2HB LYS 11 -6.355 -5.267 -0.692
50 HG2 LYS 11 1HG LYS 11 -7.322 -5.886 -3.469
51 HG3 LYS 11 2HG LYS 11 -5.617 -5.704 -3.052
52 HD2 LYS 11 1HD LYS 11 -7.435 -7.619 -1.612
53 HD3 LYS 11 2HD LYS 11 -6.551 -8.071 -3.071
54 HE2 LYS 11 1HE LYS 11 -4.450 -7.357 -1.905
55 HE3 LYS 11 2HE LYS 11 -5.405 -7.165 -0.435
56 HZ1 LYS 11 3HZ LYS 11 -5.379 -9.714 -1.929
57 HZ2 LYS 11 1HZ LYS 11 -5.815 -9.438 -0.317
58 HZ3 LYS 11 2HZ LYS 11 -4.190 -9.358 -0.779
59 HA PRO 12 HA PRO 12 -9.695 -4.075 2.727
60 HB2 PRO 12 1HB PRO 12 -8.373 -5.677 4.474
61 HB3 PRO 12 2HB PRO 12 -9.869 -6.164 3.668
62 HG2 PRO 12 1HG PRO 12 -7.037 -6.852 2.983
63 HG3 PRO 12 2HG PRO 12 -8.469 -7.898 3.006
64 HD2 PRO 12 1HD PRO 12 -7.459 -6.861 0.717
65 HD3 PRO 12 2HD PRO 12 -9.194 -7.164 0.944
66 H TYR 13 H TYR 13 -6.544 -4.308 1.477
67 HA TYR 13 HA TYR 13 -5.590 -2.326 3.437
68 HB2 TYR 13 1HB TYR 13 -3.706 -4.169 2.002
69 HB3 TYR 13 2HB TYR 13 -3.461 -3.283 3.503
70 HD1 TYR 13 HD2 TYR 13 -4.918 -4.016 5.523
71 HD2 TYR 13 HD1 TYR 13 -4.285 -6.420 2.070
72 HE1 TYR 13 HE2 TYR 13 -5.539 -6.018 6.809
73 HE2 TYR 13 HE1 TYR 13 -4.905 -8.429 3.347
74 HH TYR 13 HH TYR 13 -6.549 -8.629 5.774
75 H GLU 14 H GLU 14 -5.319 -0.410 2.526
76 HA GLU 14 HA GLU 14 -4.029 -0.205 -0.073
77 HB2 GLU 14 1HB GLU 14 -6.837 0.685 0.490
78 HB3 GLU 14 2HB GLU 14 -5.854 1.561 -0.675
79 HG2 GLU 14 1HG GLU 14 -5.742 -0.242 -2.131
80 HG3 GLU 14 2HG GLU 14 -6.176 -1.404 -0.879
81 H CYS 15 H CYS 15 -2.755 1.562 -0.250
82 HA CYS 15 HA CYS 15 -2.161 3.067 2.073
83 HB2 CYS 15 1HB CYS 15 -0.722 2.475 -0.072
84 HB3 CYS 15 2HB CYS 15 -1.326 4.033 -0.627
85 H ASN 16 H ASN 16 -1.889 5.602 1.687
86 HA ASN 16 HA ASN 16 -4.560 6.586 0.929
87 HB2 ASN 16 1HB ASN 16 -4.285 6.915 3.265
88 HB3 ASN 16 2HB ASN 16 -2.636 7.502 3.064
89 HD21 ASN 16 1HD2 ASN 16 -5.942 8.262 2.032
90 HD22 ASN 16 2HD2 ASN 16 -5.773 9.976 2.172
91 H GLU 17 H GLU 17 -1.122 7.485 1.026
92 HA GLU 17 HA GLU 17 -1.449 9.794 -0.610
93 HB2 GLU 17 1HB GLU 17 0.963 8.189 0.222
94 HB3 GLU 17 2HB GLU 17 1.085 9.593 -0.828
95 HG2 GLU 17 1HG GLU 17 -0.330 9.837 1.783
96 HG3 GLU 17 2HG GLU 17 1.433 9.826 1.741
97 H CYS 18 H CYS 18 -0.047 6.580 -1.254
98 HA CYS 18 HA CYS 18 -0.092 7.117 -4.116
99 HB2 CYS 18 1HB CYS 18 1.212 5.129 -4.366
100 HB3 CYS 18 2HB CYS 18 1.864 6.003 -2.984
101 H GLN 19 H GLN 19 -1.974 5.541 -1.728
102 HA GLN 19 HA GLN 19 -3.868 4.282 -1.800
103 HB2 GLN 19 1HB GLN 19 -4.164 5.277 -4.633
104 HB3 GLN 19 2HB GLN 19 -5.440 4.756 -3.542
105 HG2 GLN 19 1HG GLN 19 -4.473 6.733 -2.069
106 HG3 GLN 19 2HG GLN 19 -3.960 7.319 -3.651
107 HE21 GLN 19 1HE2 GLN 19 -6.537 6.972 -1.472
108 HE22 GLN 19 2HE2 GLN 19 -7.790 7.606 -2.478
109 H LYS 20 H LYS 20 -1.639 2.802 -2.221
110 HA LYS 20 HA LYS 20 -2.256 1.037 -4.486
111 HB2 LYS 20 1HB LYS 20 0.110 2.054 -3.958
112 HB3 LYS 20 2HB LYS 20 0.194 0.740 -2.792
113 HG2 LYS 20 1HG LYS 20 -0.510 -0.723 -4.844
114 HG3 LYS 20 2HG LYS 20 0.136 0.637 -5.767
115 HD2 LYS 20 1HD LYS 20 2.027 -0.636 -5.548
116 HD3 LYS 20 2HD LYS 20 2.161 0.364 -4.100
117 HE2 LYS 20 1HE LYS 20 2.528 -1.721 -3.216
118 HE3 LYS 20 2HE LYS 20 0.783 -1.580 -3.008
119 HZ1 LYS 20 3HZ LYS 20 1.130 -3.685 -3.927
120 HZ2 LYS 20 1HZ LYS 20 2.263 -3.124 -5.051
121 HZ3 LYS 20 2HZ LYS 20 0.626 -2.741 -5.237
122 H ALA 21 H ALA 21 -2.837 -1.058 -4.203
123 HA ALA 21 HA ALA 21 -3.686 -1.846 -1.554
124 HB1 ALA 21 3HB ALA 21 -4.905 -2.225 -3.823
125 HB2 ALA 21 1HB ALA 21 -3.860 -3.642 -3.934
126 HB3 ALA 21 2HB ALA 21 -4.969 -3.469 -2.574
127 H PHE 22 H PHE 22 -3.073 -3.798 -0.510
128 HA PHE 22 HA PHE 22 -0.541 -4.976 -1.422
129 HB2 PHE 22 1HB PHE 22 -1.174 -3.970 1.355
130 HB3 PHE 22 2HB PHE 22 0.175 -5.043 0.999
131 HD1 PHE 22 HD2 PHE 22 -1.259 -1.841 -0.278
132 HD2 PHE 22 HD1 PHE 22 2.226 -4.066 0.733
133 HE1 PHE 22 HE2 PHE 22 0.139 0.107 -0.827
134 HE2 PHE 22 HE1 PHE 22 3.630 -2.121 0.186
135 HZ PHE 22 HZ PHE 22 2.587 -0.031 -0.596
136 H ASN 23 H ASN 23 -0.043 -7.038 -0.217
137 HA ASN 23 HA ASN 23 -2.362 -8.731 -0.321
138 HB2 ASN 23 1HB ASN 23 -0.574 -10.470 0.463
139 HB3 ASN 23 2HB ASN 23 -0.485 -9.807 -1.166
140 HD21 ASN 23 1HD2 ASN 23 1.636 -9.850 -1.560
141 HD22 ASN 23 2HD2 ASN 23 2.836 -9.051 -0.607
142 H THR 24 H THR 24 -0.122 -7.648 2.204
143 HA THR 24 HA THR 24 -2.078 -8.564 4.210
144 HB THR 24 HB THR 24 -0.153 -8.828 5.785
145 HG1 THR 24 HG1 THR 24 1.892 -8.646 5.048
146 HG21 THR 24 3HG2 THR 24 -0.005 -10.532 3.296
147 HG22 THR 24 1HG2 THR 24 -1.141 -10.760 4.624
148 HG23 THR 24 2HG2 THR 24 0.588 -10.973 4.896
149 H LYS 25 H LYS 25 -1.900 -7.365 6.306
150 HA LYS 25 HA LYS 25 -2.028 -4.552 5.798
151 HB2 LYS 25 1HB LYS 25 -3.585 -5.471 7.365
152 HB3 LYS 25 2HB LYS 25 -2.295 -6.193 8.316
153 HG2 LYS 25 1HG LYS 25 -2.738 -4.381 9.607
154 HG3 LYS 25 2HG LYS 25 -1.531 -3.672 8.533
155 HD2 LYS 25 1HD LYS 25 -4.382 -3.563 7.697
156 HD3 LYS 25 2HD LYS 25 -3.858 -2.492 8.999
157 HE2 LYS 25 1HE LYS 25 -2.584 -2.685 6.271
158 HE3 LYS 25 2HE LYS 25 -3.710 -1.428 6.782
159 HZ1 LYS 25 3HZ LYS 25 -2.108 -0.346 7.864
160 HZ2 LYS 25 1HZ LYS 25 -1.014 -1.306 7.001
161 HZ3 LYS 25 2HZ LYS 25 -1.481 -1.753 8.564
162 H SER 26 H SER 26 0.114 -6.636 7.719
163 HA SER 26 HA SER 26 1.756 -4.698 8.817
164 HB2 SER 26 1HB SER 26 3.494 -6.477 8.925
165 HB3 SER 26 2HB SER 26 1.916 -7.029 9.486
166 HG SER 26 HG SER 26 1.811 -7.618 7.029
167 H ASN 27 H ASN 27 1.602 -5.874 5.557
168 HA ASN 27 HA ASN 27 4.163 -4.877 4.747
169 HB2 ASN 27 1HB ASN 27 2.616 -6.718 3.660
170 HB3 ASN 27 2HB ASN 27 1.944 -5.339 2.794
171 HD21 ASN 27 1HD2 ASN 27 3.932 -3.789 2.140
172 HD22 ASN 27 2HD2 ASN 27 5.132 -4.610 1.208
173 H LEU 28 H LEU 28 0.894 -3.633 4.836
174 HA LEU 28 HA LEU 28 1.460 -1.330 3.217
175 HB2 LEU 28 1HB LEU 28 -0.777 -2.155 3.244
176 HB3 LEU 28 2HB LEU 28 -0.848 -2.067 5.002
177 HG LEU 28 HG LEU 28 -0.774 0.395 4.854
178 HD11 LEU 28 1HD1 LEU 28 -1.363 1.277 2.491
179 HD12 LEU 28 2HD1 LEU 28 -0.606 -0.215 1.933
180 HD13 LEU 28 3HD1 LEU 28 0.321 0.938 2.892
181 HD21 LEU 28 3HD2 LEU 28 -3.045 0.690 4.036
182 HD22 LEU 28 1HD2 LEU 28 -2.913 -0.793 4.982
183 HD23 LEU 28 2HD2 LEU 28 -2.971 -0.873 3.221
184 H MET 29 H MET 29 0.902 -1.871 6.692
185 HA MET 29 HA MET 29 1.177 0.703 7.621
186 HB2 MET 29 1HB MET 29 1.800 -0.245 9.755
187 HB3 MET 29 2HB MET 29 0.575 -1.263 9.011
188 HG2 MET 29 1HG MET 29 2.290 -2.838 8.308
189 HG3 MET 29 2HG MET 29 3.534 -1.810 9.017
190 HE1 MET 29 3HE MET 29 4.459 -2.880 11.656
191 HE2 MET 29 1HE MET 29 3.908 -4.542 11.436
192 HE3 MET 29 2HE MET 29 4.490 -3.616 10.052
193 H VAL 30 H VAL 30 3.754 -1.656 6.983
194 HA VAL 30 HA VAL 30 5.869 0.080 7.774
195 HB VAL 30 HB VAL 30 5.952 -2.381 6.023
196 HG11 VAL 30 1HG1 VAL 30 8.320 -1.499 7.557
197 HG12 VAL 30 2HG1 VAL 30 8.214 -2.275 5.976
198 HG13 VAL 30 3HG1 VAL 30 7.899 -0.547 6.134
199 HG21 VAL 30 3HG2 VAL 30 5.623 -3.534 7.893
200 HG22 VAL 30 1HG2 VAL 30 7.096 -2.829 8.561
201 HG23 VAL 30 2HG2 VAL 30 5.540 -2.042 8.831
202 H HIS 31 H HIS 31 4.334 -0.696 4.696
203 HA HIS 31 HA HIS 31 6.160 0.588 2.997
204 HB2 HIS 31 1HB HIS 31 4.686 -0.731 1.818
205 HB3 HIS 31 2HB HIS 31 3.301 -0.241 2.790
206 HD1 HIS 31 HD1 HIS 31 5.277 0.711 -0.224
207 HD2 HIS 31 HD2 HIS 31 2.009 2.105 1.930
208 HE1 HIS 31 HE1 HIS 31 4.200 2.451 -1.687
209 H GLN 32 H GLN 32 3.082 1.798 4.331
210 HA GLN 32 HA GLN 32 2.933 4.290 3.322
211 HB2 GLN 32 1HB GLN 32 2.473 3.449 6.184
212 HB3 GLN 32 2HB GLN 32 2.006 5.022 5.551
213 HG2 GLN 32 1HG GLN 32 0.726 3.647 3.769
214 HG3 GLN 32 2HG GLN 32 0.889 2.326 4.926
215 HE21 GLN 32 1HE2 GLN 32 -1.136 4.645 3.909
216 HE22 GLN 32 2HE2 GLN 32 -2.052 4.912 5.349
217 H ARG 33 H ARG 33 5.051 3.310 5.989
218 HA ARG 33 HA ARG 33 6.082 5.688 6.822
219 HB2 ARG 33 1HB ARG 33 7.562 3.099 6.338
220 HB3 ARG 33 2HB ARG 33 8.228 4.458 7.233
221 HG2 ARG 33 1HG ARG 33 6.370 4.268 8.844
222 HG3 ARG 33 2HG ARG 33 5.791 2.849 7.968
223 HD2 ARG 33 1HD ARG 33 7.098 2.176 9.900
224 HD3 ARG 33 2HD ARG 33 7.923 1.720 8.410
225 HE ARG 33 HE ARG 33 8.913 4.200 9.140
226 HH11 ARG 33 1HH1 ARG 33 8.818 0.978 10.455
227 HH12 ARG 33 2HH1 ARG 33 10.309 1.147 11.321
228 HH21 ARG 33 1HH2 ARG 33 10.877 4.435 10.276
229 HH22 ARG 33 2HH2 ARG 33 11.479 3.114 11.219
230 H THR 34 H THR 34 7.361 3.772 4.100
231 HA THR 34 HA THR 34 9.426 5.209 3.201
232 HB THR 34 HB THR 34 8.837 4.643 0.891
233 HG1 THR 34 HG1 THR 34 6.683 4.978 0.708
234 HG21 THR 34 3HG2 THR 34 9.465 2.901 2.793
235 HG22 THR 34 1HG2 THR 34 9.096 2.384 1.149
236 HG23 THR 34 2HG2 THR 34 7.863 2.276 2.405
237 H HIS 35 H HIS 35 6.039 6.065 2.520
238 HA HIS 35 HA HIS 35 6.449 8.323 0.982
239 HB2 HIS 35 1HB HIS 35 4.273 7.587 2.926
240 HB3 HIS 35 2HB HIS 35 4.231 9.110 2.042
241 HD1 HIS 35 HD1 HIS 35 5.025 8.288 -0.738
242 HD2 HIS 35 HD2 HIS 35 2.493 6.011 1.641
243 HE1 HIS 35 HE1 HIS 35 3.700 6.868 -2.335
244 H THR 36 H THR 36 5.905 8.262 4.509
245 HA THR 36 HA THR 36 6.664 11.011 4.804
246 HB THR 36 HB THR 36 6.497 10.572 7.241
247 HG1 THR 36 HG1 THR 36 6.277 8.569 7.989
248 HG21 THR 36 3HG2 THR 36 4.017 9.465 6.871
249 HG22 THR 36 1HG2 THR 36 4.366 10.142 5.281
250 HG23 THR 36 2HG2 THR 36 4.401 11.179 6.708
251 H GLY 37 H GLY 37 8.637 11.826 5.097
252 HA2 GLY 37 1HA GLY 37 10.700 10.427 6.504
253 HA3 GLY 37 2HA GLY 37 10.988 10.443 4.770
254 H GLU 38 H GLU 38 10.470 12.808 3.854
255 HA GLU 38 HA GLU 38 12.257 14.567 5.365
256 HB2 GLU 38 1HB GLU 38 11.321 14.637 2.493
257 HB3 GLU 38 2HB GLU 38 12.336 15.873 3.223
258 HG2 GLU 38 1HG GLU 38 13.181 13.013 3.307
259 HG3 GLU 38 2HG GLU 38 13.409 13.962 1.839
260 H SER 39 H SER 39 10.885 15.434 6.902
261 HA SER 39 HA SER 39 8.761 17.184 5.848
262 HB2 SER 39 1HB SER 39 8.778 15.408 8.272
263 HB3 SER 39 2HB SER 39 7.749 16.838 8.221
264 HG SER 39 HG SER 39 6.990 15.932 6.143
265 H GLY 40 H GLY 40 10.347 18.871 5.729
266 HA2 GLY 40 1HA GLY 40 10.709 20.979 6.822
267 HA3 GLY 40 2HA GLY 40 10.799 20.124 8.355
268 HA PRO 41 HA PRO 41 15.129 21.083 7.116
269 HB2 PRO 41 1HB PRO 41 15.942 21.694 9.633
270 HB3 PRO 41 2HB PRO 41 15.171 22.869 8.561
271 HG2 PRO 41 1HG PRO 41 13.974 21.265 10.786
272 HG3 PRO 41 2HG PRO 41 13.728 22.974 10.381
273 HD2 PRO 41 1HD PRO 41 11.951 21.047 9.704
274 HD3 PRO 41 2HD PRO 41 12.220 22.490 8.707
275 H SER 42 H SER 42 13.548 18.756 8.955
276 HA SER 42 HA SER 42 15.699 17.440 10.215
277 HB2 SER 42 1HB SER 42 13.184 17.097 10.592
278 HB3 SER 42 2HB SER 42 13.233 16.047 9.176
279 HG SER 42 HG SER 42 15.079 15.024 10.420
280 H SER 43 H SER 43 17.063 15.838 9.559
281 HA SER 43 HA SER 43 17.376 15.523 6.687
282 HB2 SER 43 1HB SER 43 19.273 15.960 8.401
283 HB3 SER 43 2HB SER 43 19.139 14.239 8.761
284 HG SER 43 HG SER 43 19.620 13.790 6.610
285 H GLY 44 H GLY 44 16.403 13.925 5.643
286 HA2 GLY 44 1HA GLY 44 16.102 11.334 7.028
287 HA3 GLY 44 2HA GLY 44 14.791 12.025 6.085
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -14.791 -15.765 -23.412
2 HA2 GLY 1 1HA GLY 1 -15.033 -12.984 -24.306
3 HA3 GLY 1 2HA GLY 1 -16.352 -14.133 -24.139
4 H SER 2 H SER 2 -13.823 -12.931 -21.931
5 HA SER 2 HA SER 2 -15.500 -12.966 -19.666
6 HB2 SER 2 1HB SER 2 -12.814 -11.826 -20.299
7 HB3 SER 2 2HB SER 2 -13.631 -11.271 -18.838
8 HG SER 2 HG SER 2 -12.769 -13.868 -19.514
9 H SER 3 H SER 3 -17.289 -11.779 -19.518
10 HA SER 3 HA SER 3 -17.652 -9.292 -20.850
11 HB2 SER 3 1HB SER 3 -19.237 -10.930 -18.920
12 HB3 SER 3 2HB SER 3 -19.686 -9.240 -19.147
13 HG SER 3 HG SER 3 -19.515 -9.911 -21.520
14 H GLY 4 H GLY 4 -17.300 -10.131 -17.402
15 HA2 GLY 4 1HA GLY 4 -17.240 -7.438 -16.508
16 HA3 GLY 4 2HA GLY 4 -16.723 -8.843 -15.587
17 H SER 5 H SER 5 -15.702 -5.985 -16.816
18 HA SER 5 HA SER 5 -13.340 -6.194 -18.068
19 HB2 SER 5 1HB SER 5 -13.736 -4.495 -15.594
20 HB3 SER 5 2HB SER 5 -12.568 -4.209 -16.884
21 HG SER 5 HG SER 5 -15.321 -3.795 -16.843
22 H SER 6 H SER 6 -11.536 -7.319 -17.823
23 HA SER 6 HA SER 6 -11.006 -8.647 -15.288
24 HB2 SER 6 1HB SER 6 -9.260 -9.865 -16.573
25 HB3 SER 6 2HB SER 6 -10.858 -10.001 -17.305
26 HG SER 6 HG SER 6 -9.049 -7.993 -18.111
27 H GLY 7 H GLY 7 -9.401 -8.142 -13.913
28 HA2 GLY 7 1HA GLY 7 -7.040 -7.333 -13.750
29 HA3 GLY 7 2HA GLY 7 -7.566 -5.975 -14.733
30 H THR 8 H THR 8 -8.990 -7.576 -11.889
31 HA THR 8 HA THR 8 -8.899 -4.975 -10.506
32 HB THR 8 HB THR 8 -11.022 -5.880 -9.307
33 HG1 THR 8 HG1 THR 8 -11.547 -7.146 -11.756
34 HG21 THR 8 3HG2 THR 8 -12.233 -5.193 -11.697
35 HG22 THR 8 1HG2 THR 8 -10.653 -4.419 -11.795
36 HG23 THR 8 2HG2 THR 8 -11.720 -4.076 -10.433
37 H GLY 9 H GLY 9 -9.347 -5.327 -8.056
38 HA2 GLY 9 1HA GLY 9 -8.207 -7.827 -7.061
39 HA3 GLY 9 2HA GLY 9 -7.308 -6.354 -6.726
40 H GLU 10 H GLU 10 -9.269 -4.557 -6.137
41 HA GLU 10 HA GLU 10 -10.440 -3.797 -4.335
42 HB2 GLU 10 1HB GLU 10 -11.750 -6.514 -4.540
43 HB3 GLU 10 2HB GLU 10 -12.408 -5.112 -3.709
44 HG2 GLU 10 1HG GLU 10 -12.111 -4.011 -6.092
45 HG3 GLU 10 2HG GLU 10 -12.232 -5.691 -6.610
46 H LYS 11 H LYS 11 -7.968 -4.776 -3.631
47 HA LYS 11 HA LYS 11 -7.944 -6.702 -1.594
48 HB2 LYS 11 1HB LYS 11 -6.122 -4.340 -2.077
49 HB3 LYS 11 2HB LYS 11 -5.798 -5.609 -0.902
50 HG2 LYS 11 1HG LYS 11 -6.062 -7.198 -2.942
51 HG3 LYS 11 2HG LYS 11 -5.763 -5.735 -3.883
52 HD2 LYS 11 1HD LYS 11 -3.748 -5.460 -2.224
53 HD3 LYS 11 2HD LYS 11 -3.955 -7.200 -2.015
54 HE2 LYS 11 1HE LYS 11 -3.842 -6.054 -4.769
55 HE3 LYS 11 2HE LYS 11 -2.347 -6.257 -3.856
56 HZ1 LYS 11 3HZ LYS 11 -3.903 -8.601 -3.666
57 HZ2 LYS 11 1HZ LYS 11 -2.357 -8.406 -4.324
58 HZ3 LYS 11 2HZ LYS 11 -3.724 -8.186 -5.296
59 HA PRO 12 HA PRO 12 -9.839 -4.662 1.814
60 HB2 PRO 12 1HB PRO 12 -8.672 -6.029 3.849
61 HB3 PRO 12 2HB PRO 12 -9.923 -6.729 2.814
62 HG2 PRO 12 1HG PRO 12 -6.951 -7.060 2.680
63 HG3 PRO 12 2HG PRO 12 -8.222 -8.283 2.501
64 HD2 PRO 12 1HD PRO 12 -6.946 -7.186 0.379
65 HD3 PRO 12 2HD PRO 12 -8.642 -7.707 0.309
66 H TYR 13 H TYR 13 -6.511 -4.511 1.156
67 HA TYR 13 HA TYR 13 -6.171 -2.397 3.181
68 HB2 TYR 13 1HB TYR 13 -3.983 -4.181 2.099
69 HB3 TYR 13 2HB TYR 13 -3.835 -2.985 3.382
70 HD1 TYR 13 HD2 TYR 13 -5.107 -3.381 5.544
71 HD2 TYR 13 HD1 TYR 13 -4.611 -6.394 2.581
72 HE1 TYR 13 HE2 TYR 13 -5.636 -5.104 7.217
73 HE2 TYR 13 HE1 TYR 13 -5.140 -8.126 4.245
74 HH TYR 13 HH TYR 13 -5.888 -7.269 7.613
75 H GLU 14 H GLU 14 -5.586 -0.446 2.456
76 HA GLU 14 HA GLU 14 -4.265 -0.170 -0.125
77 HB2 GLU 14 1HB GLU 14 -7.049 0.721 0.461
78 HB3 GLU 14 2HB GLU 14 -6.038 1.767 -0.525
79 HG2 GLU 14 1HG GLU 14 -6.983 0.527 -2.166
80 HG3 GLU 14 2HG GLU 14 -5.585 -0.491 -1.820
81 H CYS 15 H CYS 15 -2.914 1.549 -0.219
82 HA CYS 15 HA CYS 15 -2.176 2.857 2.163
83 HB2 CYS 15 1HB CYS 15 -0.854 2.419 -0.072
84 HB3 CYS 15 2HB CYS 15 -1.476 4.006 -0.510
85 H ASN 16 H ASN 16 -1.869 5.395 2.039
86 HA ASN 16 HA ASN 16 -4.531 6.523 1.466
87 HB2 ASN 16 1HB ASN 16 -2.558 7.549 3.513
88 HB3 ASN 16 2HB ASN 16 -4.246 8.013 3.323
89 HD21 ASN 16 1HD2 ASN 16 -2.720 6.854 5.593
90 HD22 ASN 16 2HD2 ASN 16 -3.613 5.452 6.063
91 H GLU 17 H GLU 17 -1.066 7.001 1.230
92 HA GLU 17 HA GLU 17 -1.335 9.609 0.008
93 HB2 GLU 17 1HB GLU 17 1.027 7.809 0.536
94 HB3 GLU 17 2HB GLU 17 1.171 9.327 -0.338
95 HG2 GLU 17 1HG GLU 17 0.202 8.991 2.492
96 HG3 GLU 17 2HG GLU 17 1.777 9.605 1.990
97 H CYS 18 H CYS 18 -0.203 6.396 -1.032
98 HA CYS 18 HA CYS 18 -0.397 7.259 -3.824
99 HB2 CYS 18 1HB CYS 18 0.865 5.259 -4.366
100 HB3 CYS 18 2HB CYS 18 1.679 6.129 -3.070
101 H GLN 19 H GLN 19 -2.219 5.674 -1.497
102 HA GLN 19 HA GLN 19 -4.093 4.382 -1.539
103 HB2 GLN 19 1HB GLN 19 -4.324 5.645 -4.274
104 HB3 GLN 19 2HB GLN 19 -5.616 4.759 -3.474
105 HG2 GLN 19 1HG GLN 19 -6.183 6.905 -2.955
106 HG3 GLN 19 2HG GLN 19 -5.203 6.479 -1.553
107 HE21 GLN 19 1HE2 GLN 19 -5.172 8.907 -1.502
108 HE22 GLN 19 2HE2 GLN 19 -3.881 9.691 -2.341
109 H LYS 20 H LYS 20 -1.730 3.029 -2.208
110 HA LYS 20 HA LYS 20 -2.388 1.285 -4.449
111 HB2 LYS 20 1HB LYS 20 -0.060 2.125 -4.097
112 HB3 LYS 20 2HB LYS 20 0.008 1.191 -2.608
113 HG2 LYS 20 1HG LYS 20 -0.485 -0.848 -4.018
114 HG3 LYS 20 2HG LYS 20 -0.185 0.174 -5.426
115 HD2 LYS 20 1HD LYS 20 2.039 0.752 -4.252
116 HD3 LYS 20 2HD LYS 20 1.720 -0.682 -3.274
117 HE2 LYS 20 1HE LYS 20 1.782 -0.666 -6.288
118 HE3 LYS 20 2HE LYS 20 3.162 -1.086 -5.275
119 HZ1 LYS 20 3HZ LYS 20 1.258 -2.675 -4.271
120 HZ2 LYS 20 1HZ LYS 20 2.346 -3.148 -5.477
121 HZ3 LYS 20 2HZ LYS 20 0.793 -2.625 -5.897
122 H ALA 21 H ALA 21 -2.900 -0.863 -4.275
123 HA ALA 21 HA ALA 21 -4.001 -1.711 -1.746
124 HB1 ALA 21 3HB ALA 21 -4.319 -3.866 -3.327
125 HB2 ALA 21 1HB ALA 21 -5.417 -2.485 -3.321
126 HB3 ALA 21 2HB ALA 21 -4.156 -2.606 -4.550
127 H PHE 22 H PHE 22 -3.449 -3.647 -0.645
128 HA PHE 22 HA PHE 22 -0.840 -4.811 -1.300
129 HB2 PHE 22 1HB PHE 22 -1.636 -3.696 1.395
130 HB3 PHE 22 2HB PHE 22 -0.238 -4.734 1.136
131 HD1 PHE 22 HD2 PHE 22 -1.737 -1.545 -0.067
132 HD2 PHE 22 HD1 PHE 22 1.809 -3.780 0.676
133 HE1 PHE 22 HE2 PHE 22 -0.379 0.430 -0.623
134 HE2 PHE 22 HE1 PHE 22 3.172 -1.809 0.122
135 HZ PHE 22 HZ PHE 22 2.079 0.300 -0.530
136 H ASN 23 H ASN 23 -0.414 -6.799 0.060
137 HA ASN 23 HA ASN 23 -2.775 -8.466 -0.031
138 HB2 ASN 23 1HB ASN 23 -1.223 -10.316 0.416
139 HB3 ASN 23 2HB ASN 23 -0.644 -9.311 -0.909
140 HD21 ASN 23 1HD2 ASN 23 0.592 -11.095 1.265
141 HD22 ASN 23 2HD2 ASN 23 1.901 -10.138 1.862
142 H THR 24 H THR 24 -0.414 -7.451 2.421
143 HA THR 24 HA THR 24 -2.366 -8.226 4.490
144 HB THR 24 HB THR 24 -0.502 -8.656 6.020
145 HG1 THR 24 HG1 THR 24 1.339 -7.764 5.490
146 HG21 THR 24 3HG2 THR 24 -1.170 -10.207 3.722
147 HG22 THR 24 1HG2 THR 24 -0.642 -10.762 5.310
148 HG23 THR 24 2HG2 THR 24 0.549 -10.411 4.057
149 H LYS 25 H LYS 25 -2.001 -7.014 6.587
150 HA LYS 25 HA LYS 25 -2.030 -4.197 6.014
151 HB2 LYS 25 1HB LYS 25 -3.466 -5.514 7.728
152 HB3 LYS 25 2HB LYS 25 -2.063 -5.373 8.779
153 HG2 LYS 25 1HG LYS 25 -2.221 -3.032 8.857
154 HG3 LYS 25 2HG LYS 25 -3.331 -2.980 7.485
155 HD2 LYS 25 1HD LYS 25 -5.096 -3.924 8.779
156 HD3 LYS 25 2HD LYS 25 -3.999 -4.302 10.110
157 HE2 LYS 25 1HE LYS 25 -3.733 -2.012 10.657
158 HE3 LYS 25 2HE LYS 25 -4.504 -1.492 9.159
159 HZ1 LYS 25 3HZ LYS 25 -5.692 -2.168 11.661
160 HZ2 LYS 25 1HZ LYS 25 -6.371 -3.065 10.397
161 HZ3 LYS 25 2HZ LYS 25 -6.371 -1.375 10.330
162 H SER 26 H SER 26 -0.063 -6.268 8.150
163 HA SER 26 HA SER 26 1.708 -4.467 9.154
164 HB2 SER 26 1HB SER 26 1.607 -7.035 9.460
165 HB3 SER 26 2HB SER 26 2.712 -7.098 8.087
166 HG SER 26 HG SER 26 3.117 -5.880 10.609
167 H ASN 27 H ASN 27 1.834 -5.965 5.949
168 HA ASN 27 HA ASN 27 4.296 -4.843 5.154
169 HB2 ASN 27 1HB ASN 27 2.001 -6.145 3.778
170 HB3 ASN 27 2HB ASN 27 3.101 -5.193 2.785
171 HD21 ASN 27 1HD2 ASN 27 3.042 -7.687 2.107
172 HD22 ASN 27 2HD2 ASN 27 4.406 -8.575 2.687
173 H LEU 28 H LEU 28 0.944 -3.787 4.634
174 HA LEU 28 HA LEU 28 1.508 -1.526 3.085
175 HB2 LEU 28 1HB LEU 28 -0.718 -2.223 3.120
176 HB3 LEU 28 2HB LEU 28 -0.765 -2.287 4.880
177 HG LEU 28 HG LEU 28 -0.649 0.214 4.891
178 HD11 LEU 28 1HD1 LEU 28 0.036 1.143 2.978
179 HD12 LEU 28 2HD1 LEU 28 -1.629 0.927 2.440
180 HD13 LEU 28 3HD1 LEU 28 -0.405 -0.271 2.022
181 HD21 LEU 28 3HD2 LEU 28 -3.018 0.497 4.105
182 HD22 LEU 28 1HD2 LEU 28 -2.761 -0.812 5.258
183 HD23 LEU 28 2HD2 LEU 28 -2.957 -1.174 3.543
184 H MET 29 H MET 29 0.955 -1.783 6.596
185 HA MET 29 HA MET 29 1.256 0.850 7.317
186 HB2 MET 29 1HB MET 29 2.253 -1.583 8.810
187 HB3 MET 29 2HB MET 29 2.041 0.015 9.512
188 HG2 MET 29 1HG MET 29 -0.383 -0.142 8.871
189 HG3 MET 29 2HG MET 29 -0.083 -1.830 8.464
190 HE1 MET 29 3HE MET 29 -1.120 0.632 10.600
191 HE2 MET 29 1HE MET 29 -1.992 -0.464 11.672
192 HE3 MET 29 2HE MET 29 -0.544 0.363 12.245
193 H VAL 30 H VAL 30 3.858 -1.579 7.114
194 HA VAL 30 HA VAL 30 5.983 0.125 7.725
195 HB VAL 30 HB VAL 30 5.985 -2.322 5.952
196 HG11 VAL 30 1HG1 VAL 30 8.452 -1.738 7.350
197 HG12 VAL 30 2HG1 VAL 30 8.178 -2.084 5.641
198 HG13 VAL 30 3HG1 VAL 30 8.001 -0.437 6.249
199 HG21 VAL 30 3HG2 VAL 30 6.143 -3.605 7.803
200 HG22 VAL 30 1HG2 VAL 30 7.092 -2.406 8.682
201 HG23 VAL 30 2HG2 VAL 30 5.341 -2.234 8.570
202 H HIS 31 H HIS 31 4.473 -0.637 4.620
203 HA HIS 31 HA HIS 31 6.297 0.691 2.958
204 HB2 HIS 31 1HB HIS 31 4.857 -0.641 1.751
205 HB3 HIS 31 2HB HIS 31 3.452 -0.172 2.705
206 HD1 HIS 31 HD1 HIS 31 5.573 0.974 -0.175
207 HD2 HIS 31 HD2 HIS 31 2.034 2.008 1.740
208 HE1 HIS 31 HE1 HIS 31 4.471 2.671 -1.669
209 H GLN 32 H GLN 32 3.148 1.847 4.178
210 HA GLN 32 HA GLN 32 2.948 4.326 3.225
211 HB2 GLN 32 1HB GLN 32 2.615 3.568 6.131
212 HB3 GLN 32 2HB GLN 32 2.009 5.056 5.415
213 HG2 GLN 32 1HG GLN 32 0.842 3.388 3.752
214 HG3 GLN 32 2HG GLN 32 1.050 2.263 5.093
215 HE21 GLN 32 1HE2 GLN 32 -1.442 2.693 4.427
216 HE22 GLN 32 2HE2 GLN 32 -2.245 3.749 5.534
217 H ARG 33 H ARG 33 5.226 3.369 5.749
218 HA ARG 33 HA ARG 33 6.204 5.885 6.436
219 HB2 ARG 33 1HB ARG 33 7.544 3.182 6.399
220 HB3 ARG 33 2HB ARG 33 8.313 4.622 7.052
221 HG2 ARG 33 1HG ARG 33 6.176 4.804 8.503
222 HG3 ARG 33 2HG ARG 33 5.961 3.103 8.086
223 HD2 ARG 33 1HD ARG 33 7.147 3.073 10.106
224 HD3 ARG 33 2HD ARG 33 8.368 2.785 8.867
225 HE ARG 33 HE ARG 33 9.378 4.736 9.481
226 HH11 ARG 33 1HH1 ARG 33 6.096 4.763 10.641
227 HH12 ARG 33 2HH1 ARG 33 6.285 6.237 11.531
228 HH21 ARG 33 1HH2 ARG 33 9.639 6.678 10.649
229 HH22 ARG 33 2HH2 ARG 33 8.300 7.326 11.534
230 H THR 34 H THR 34 7.438 3.601 3.999
231 HA THR 34 HA THR 34 9.627 4.759 3.013
232 HB THR 34 HB THR 34 9.038 4.024 0.758
233 HG1 THR 34 HG1 THR 34 6.457 4.186 1.814
234 HG21 THR 34 3HG2 THR 34 9.527 2.405 2.732
235 HG22 THR 34 1HG2 THR 34 8.920 1.749 1.213
236 HG23 THR 34 2HG2 THR 34 7.824 1.976 2.576
237 H HIS 35 H HIS 35 6.351 5.968 2.480
238 HA HIS 35 HA HIS 35 6.820 7.930 0.600
239 HB2 HIS 35 1HB HIS 35 4.890 7.781 2.903
240 HB3 HIS 35 2HB HIS 35 4.922 9.179 1.833
241 HD1 HIS 35 HD1 HIS 35 5.061 8.052 -0.895
242 HD2 HIS 35 HD2 HIS 35 2.832 6.237 2.104
243 HE1 HIS 35 HE1 HIS 35 3.348 6.648 -2.087
244 H THR 36 H THR 36 6.990 8.274 4.141
245 HA THR 36 HA THR 36 7.743 10.939 4.261
246 HB THR 36 HB THR 36 8.619 10.502 6.470
247 HG1 THR 36 HG1 THR 36 8.788 7.859 5.496
248 HG21 THR 36 3HG2 THR 36 6.724 9.240 7.458
249 HG22 THR 36 1HG2 THR 36 6.234 8.762 5.834
250 HG23 THR 36 2HG2 THR 36 6.207 10.463 6.298
251 H GLY 37 H GLY 37 9.173 11.267 2.468
252 HA2 GLY 37 1HA GLY 37 11.432 11.975 2.134
253 HA3 GLY 37 2HA GLY 37 11.962 10.665 3.179
254 H GLU 38 H GLU 38 13.272 10.975 0.859
255 HA GLU 38 HA GLU 38 12.198 9.593 -1.354
256 HB2 GLU 38 1HB GLU 38 15.080 10.055 -0.567
257 HB3 GLU 38 2HB GLU 38 14.551 9.461 -2.135
258 HG2 GLU 38 1HG GLU 38 13.240 11.575 -2.396
259 HG3 GLU 38 2HG GLU 38 14.020 12.162 -0.928
260 H SER 39 H SER 39 12.523 7.490 -2.092
261 HA SER 39 HA SER 39 12.510 5.473 -0.117
262 HB2 SER 39 1HB SER 39 11.495 5.457 -2.506
263 HB3 SER 39 2HB SER 39 13.096 4.920 -3.016
264 HG SER 39 HG SER 39 12.653 3.355 -1.093
265 H GLY 40 H GLY 40 14.364 5.457 1.107
266 HA2 GLY 40 1HA GLY 40 16.430 3.839 0.653
267 HA3 GLY 40 2HA GLY 40 16.955 5.277 -0.210
268 HA PRO 41 HA PRO 41 16.725 6.280 4.548
269 HB2 PRO 41 1HB PRO 41 16.919 4.100 6.155
270 HB3 PRO 41 2HB PRO 41 15.371 4.769 5.627
271 HG2 PRO 41 1HG PRO 41 16.893 2.431 4.541
272 HG3 PRO 41 2HG PRO 41 15.154 2.587 4.853
273 HD2 PRO 41 1HD PRO 41 16.218 2.841 2.376
274 HD3 PRO 41 2HD PRO 41 14.778 3.741 2.894
275 H SER 42 H SER 42 18.607 3.642 3.211
276 HA SER 42 HA SER 42 20.875 4.117 4.931
277 HB2 SER 42 1HB SER 42 21.964 2.353 3.684
278 HB3 SER 42 2HB SER 42 20.309 1.853 4.030
279 HG SER 42 HG SER 42 21.399 1.829 1.717
280 H SER 43 H SER 43 22.855 5.000 4.334
281 HA SER 43 HA SER 43 22.736 6.764 1.985
282 HB2 SER 43 1HB SER 43 24.490 6.970 4.445
283 HB3 SER 43 2HB SER 43 24.427 8.132 3.120
284 HG SER 43 HG SER 43 22.129 7.432 4.609
285 H GLY 44 H GLY 44 24.769 7.145 0.820
286 HA2 GLY 44 1HA GLY 44 27.128 6.261 0.614
287 HA3 GLY 44 2HA GLY 44 26.382 4.673 0.716
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -3.688 9.609 -23.258
2 HA2 GLY 1 1HA GLY 1 -1.758 8.261 -22.474
3 HA3 GLY 1 2HA GLY 1 -1.433 9.569 -21.346
4 H SER 2 H SER 2 -4.157 7.456 -22.264
5 HA SER 2 HA SER 2 -5.305 7.574 -19.647
6 HB2 SER 2 1HB SER 2 -5.883 5.876 -22.076
7 HB3 SER 2 2HB SER 2 -6.774 5.702 -20.564
8 HG SER 2 HG SER 2 -6.906 7.678 -22.477
9 H SER 3 H SER 3 -4.591 6.524 -17.927
10 HA SER 3 HA SER 3 -3.808 3.748 -18.103
11 HB2 SER 3 1HB SER 3 -1.823 5.795 -17.083
12 HB3 SER 3 2HB SER 3 -1.600 4.045 -17.103
13 HG SER 3 HG SER 3 -0.784 4.381 -19.006
14 H GLY 4 H GLY 4 -3.769 2.691 -16.075
15 HA2 GLY 4 1HA GLY 4 -3.929 2.681 -13.690
16 HA3 GLY 4 2HA GLY 4 -4.602 4.303 -13.762
17 H SER 5 H SER 5 -5.476 1.540 -12.678
18 HA SER 5 HA SER 5 -8.090 1.384 -14.006
19 HB2 SER 5 1HB SER 5 -6.629 -0.547 -12.196
20 HB3 SER 5 2HB SER 5 -8.303 -0.775 -12.701
21 HG SER 5 HG SER 5 -6.096 -0.493 -14.465
22 H SER 6 H SER 6 -9.943 1.882 -12.977
23 HA SER 6 HA SER 6 -10.111 3.624 -10.910
24 HB2 SER 6 1HB SER 6 -11.992 2.762 -12.410
25 HB3 SER 6 2HB SER 6 -12.168 1.442 -11.254
26 HG SER 6 HG SER 6 -12.748 4.156 -10.970
27 H GLY 7 H GLY 7 -10.299 0.081 -10.600
28 HA2 GLY 7 1HA GLY 7 -9.103 0.236 -7.968
29 HA3 GLY 7 2HA GLY 7 -10.776 -0.301 -7.975
30 H THR 8 H THR 8 -7.500 -1.084 -8.892
31 HA THR 8 HA THR 8 -8.343 -3.788 -9.670
32 HB THR 8 HB THR 8 -6.927 -2.667 -11.307
33 HG1 THR 8 HG1 THR 8 -5.782 -4.448 -11.639
34 HG21 THR 8 3HG2 THR 8 -4.403 -2.675 -10.025
35 HG22 THR 8 1HG2 THR 8 -5.517 -1.789 -8.985
36 HG23 THR 8 2HG2 THR 8 -5.296 -1.295 -10.663
37 H GLY 9 H GLY 9 -7.890 -5.514 -8.438
38 HA2 GLY 9 1HA GLY 9 -6.191 -6.626 -7.015
39 HA3 GLY 9 2HA GLY 9 -6.072 -5.105 -6.142
40 H GLU 10 H GLU 10 -8.714 -4.428 -5.814
41 HA GLU 10 HA GLU 10 -10.424 -4.736 -4.342
42 HB2 GLU 10 1HB GLU 10 -10.192 -7.464 -5.592
43 HB3 GLU 10 2HB GLU 10 -11.417 -7.108 -4.383
44 HG2 GLU 10 1HG GLU 10 -12.361 -5.388 -5.787
45 HG3 GLU 10 2HG GLU 10 -11.081 -5.620 -6.977
46 H LYS 11 H LYS 11 -8.008 -4.676 -3.096
47 HA LYS 11 HA LYS 11 -7.997 -6.899 -1.186
48 HB2 LYS 11 1HB LYS 11 -5.998 -4.702 -1.734
49 HB3 LYS 11 2HB LYS 11 -5.834 -5.861 -0.422
50 HG2 LYS 11 1HG LYS 11 -5.684 -7.684 -1.981
51 HG3 LYS 11 2HG LYS 11 -6.015 -6.601 -3.335
52 HD2 LYS 11 1HD LYS 11 -3.905 -5.332 -2.351
53 HD3 LYS 11 2HD LYS 11 -3.537 -6.941 -1.726
54 HE2 LYS 11 1HE LYS 11 -3.705 -7.855 -3.990
55 HE3 LYS 11 2HE LYS 11 -4.076 -6.248 -4.613
56 HZ1 LYS 11 3HZ LYS 11 -1.528 -7.286 -3.570
57 HZ2 LYS 11 1HZ LYS 11 -1.846 -5.625 -3.504
58 HZ3 LYS 11 2HZ LYS 11 -1.829 -6.425 -4.994
59 HA PRO 12 HA PRO 12 -9.931 -4.528 1.972
60 HB2 PRO 12 1HB PRO 12 -8.899 -5.754 4.163
61 HB3 PRO 12 2HB PRO 12 -10.127 -6.500 3.135
62 HG2 PRO 12 1HG PRO 12 -7.165 -6.930 3.163
63 HG3 PRO 12 2HG PRO 12 -8.468 -8.126 3.028
64 HD2 PRO 12 1HD PRO 12 -7.066 -7.249 0.883
65 HD3 PRO 12 2HD PRO 12 -8.774 -7.723 0.779
66 H TYR 13 H TYR 13 -6.597 -4.489 1.410
67 HA TYR 13 HA TYR 13 -6.230 -2.308 3.357
68 HB2 TYR 13 1HB TYR 13 -4.078 -4.117 2.243
69 HB3 TYR 13 2HB TYR 13 -3.880 -2.886 3.486
70 HD1 TYR 13 HD2 TYR 13 -4.674 -3.272 5.758
71 HD2 TYR 13 HD1 TYR 13 -5.098 -6.256 2.754
72 HE1 TYR 13 HE2 TYR 13 -5.148 -4.946 7.496
73 HE2 TYR 13 HE1 TYR 13 -5.574 -7.938 4.484
74 HH TYR 13 HH TYR 13 -6.359 -7.162 7.635
75 H GLU 14 H GLU 14 -5.492 -0.382 2.636
76 HA GLU 14 HA GLU 14 -4.352 -0.152 -0.029
77 HB2 GLU 14 1HB GLU 14 -7.054 0.839 0.730
78 HB3 GLU 14 2HB GLU 14 -6.064 1.878 -0.285
79 HG2 GLU 14 1HG GLU 14 -7.140 0.715 -1.901
80 HG3 GLU 14 2HG GLU 14 -5.762 -0.357 -1.660
81 H CYS 15 H CYS 15 -3.165 1.740 -0.354
82 HA CYS 15 HA CYS 15 -2.129 2.933 2.028
83 HB2 CYS 15 1HB CYS 15 -1.002 2.454 -0.323
84 HB3 CYS 15 2HB CYS 15 -1.563 4.087 -0.667
85 H ASN 16 H ASN 16 -1.720 5.488 1.753
86 HA ASN 16 HA ASN 16 -4.388 6.688 1.395
87 HB2 ASN 16 1HB ASN 16 -2.234 7.316 3.418
88 HB3 ASN 16 2HB ASN 16 -3.621 8.362 3.132
89 HD21 ASN 16 1HD2 ASN 16 -4.708 8.151 4.990
90 HD22 ASN 16 2HD2 ASN 16 -5.316 6.658 5.611
91 H GLU 17 H GLU 17 -0.902 7.211 1.123
92 HA GLU 17 HA GLU 17 -1.206 9.749 -0.197
93 HB2 GLU 17 1HB GLU 17 1.169 7.948 0.272
94 HB3 GLU 17 2HB GLU 17 1.282 9.465 -0.610
95 HG2 GLU 17 1HG GLU 17 1.965 9.862 1.631
96 HG3 GLU 17 2HG GLU 17 0.395 10.629 1.398
97 H CYS 18 H CYS 18 -0.126 6.509 -1.208
98 HA CYS 18 HA CYS 18 -0.343 7.314 -4.008
99 HB2 CYS 18 1HB CYS 18 0.911 5.387 -4.546
100 HB3 CYS 18 2HB CYS 18 1.639 6.002 -3.066
101 H GLN 19 H GLN 19 -2.105 5.650 -1.604
102 HA GLN 19 HA GLN 19 -4.090 4.541 -1.612
103 HB2 GLN 19 1HB GLN 19 -4.267 5.866 -4.317
104 HB3 GLN 19 2HB GLN 19 -5.583 4.934 -3.616
105 HG2 GLN 19 1HG GLN 19 -4.337 7.363 -2.350
106 HG3 GLN 19 2HG GLN 19 -5.823 7.366 -3.300
107 HE21 GLN 19 1HE2 GLN 19 -7.044 5.087 -2.411
108 HE22 GLN 19 2HE2 GLN 19 -7.452 5.257 -0.741
109 H LYS 20 H LYS 20 -1.878 3.008 -2.200
110 HA LYS 20 HA LYS 20 -2.663 1.273 -4.425
111 HB2 LYS 20 1HB LYS 20 -0.320 1.949 -4.352
112 HB3 LYS 20 2HB LYS 20 -0.164 1.305 -2.723
113 HG2 LYS 20 1HG LYS 20 -0.179 -0.882 -3.438
114 HG3 LYS 20 2HG LYS 20 -1.024 -0.496 -4.939
115 HD2 LYS 20 1HD LYS 20 0.907 0.311 -5.961
116 HD3 LYS 20 2HD LYS 20 1.737 0.549 -4.422
117 HE2 LYS 20 1HE LYS 20 2.689 -1.356 -5.543
118 HE3 LYS 20 2HE LYS 20 1.798 -1.909 -4.126
119 HZ1 LYS 20 3HZ LYS 20 1.200 -2.289 -6.963
120 HZ2 LYS 20 1HZ LYS 20 -0.109 -2.127 -5.904
121 HZ3 LYS 20 2HZ LYS 20 1.022 -3.362 -5.668
122 H ALA 21 H ALA 21 -3.262 -0.839 -4.165
123 HA ALA 21 HA ALA 21 -4.187 -1.591 -1.526
124 HB1 ALA 21 3HB ALA 21 -4.682 -3.718 -3.241
125 HB2 ALA 21 1HB ALA 21 -5.810 -2.440 -2.787
126 HB3 ALA 21 2HB ALA 21 -4.844 -2.284 -4.255
127 H PHE 22 H PHE 22 -3.511 -3.352 -0.337
128 HA PHE 22 HA PHE 22 -1.130 -4.777 -1.309
129 HB2 PHE 22 1HB PHE 22 -1.537 -3.516 1.404
130 HB3 PHE 22 2HB PHE 22 -0.285 -4.710 1.076
131 HD1 PHE 22 HD2 PHE 22 -1.542 -1.402 -0.061
132 HD2 PHE 22 HD1 PHE 22 1.784 -4.036 0.287
133 HE1 PHE 22 HE2 PHE 22 -0.047 0.388 -0.844
134 HE2 PHE 22 HE1 PHE 22 3.285 -2.249 -0.494
135 HZ PHE 22 HZ PHE 22 2.370 -0.034 -1.062
136 H ASN 23 H ASN 23 -0.742 -6.841 -0.240
137 HA ASN 23 HA ASN 23 -3.144 -8.348 0.016
138 HB2 ASN 23 1HB ASN 23 -1.365 -9.550 -0.915
139 HB3 ASN 23 2HB ASN 23 -0.222 -8.984 0.299
140 HD21 ASN 23 1HD2 ASN 23 -3.438 -10.407 0.661
141 HD22 ASN 23 2HD2 ASN 23 -2.923 -11.763 1.601
142 H THR 24 H THR 24 -0.548 -7.554 2.323
143 HA THR 24 HA THR 24 -2.461 -8.073 4.506
144 HB THR 24 HB THR 24 -0.443 -8.520 5.937
145 HG1 THR 24 HG1 THR 24 0.914 -7.528 4.053
146 HG21 THR 24 3HG2 THR 24 -1.698 -10.401 5.196
147 HG22 THR 24 1HG2 THR 24 -0.000 -10.790 4.926
148 HG23 THR 24 2HG2 THR 24 -1.019 -10.299 3.572
149 H LYS 25 H LYS 25 -1.847 -6.872 6.561
150 HA LYS 25 HA LYS 25 -1.694 -4.073 5.942
151 HB2 LYS 25 1HB LYS 25 -3.161 -5.032 7.727
152 HB3 LYS 25 2HB LYS 25 -1.715 -5.402 8.657
153 HG2 LYS 25 1HG LYS 25 -1.199 -3.102 8.929
154 HG3 LYS 25 2HG LYS 25 -2.429 -2.623 7.758
155 HD2 LYS 25 1HD LYS 25 -4.100 -3.745 9.351
156 HD3 LYS 25 2HD LYS 25 -2.795 -3.698 10.539
157 HE2 LYS 25 1HE LYS 25 -2.677 -1.314 10.414
158 HE3 LYS 25 2HE LYS 25 -3.784 -1.277 9.042
159 HZ1 LYS 25 3HZ LYS 25 -5.162 -0.754 10.782
160 HZ2 LYS 25 1HZ LYS 25 -4.366 -1.763 11.882
161 HZ3 LYS 25 2HZ LYS 25 -5.382 -2.429 10.705
162 H SER 26 H SER 26 0.243 -6.193 8.062
163 HA SER 26 HA SER 26 2.228 -4.558 8.857
164 HB2 SER 26 1HB SER 26 1.983 -7.102 9.198
165 HB3 SER 26 2HB SER 26 2.938 -7.258 7.724
166 HG SER 26 HG SER 26 3.704 -6.485 10.255
167 H ASN 27 H ASN 27 1.772 -5.787 5.613
168 HA ASN 27 HA ASN 27 4.313 -4.893 4.633
169 HB2 ASN 27 1HB ASN 27 1.794 -5.783 3.217
170 HB3 ASN 27 2HB ASN 27 3.290 -5.368 2.384
171 HD21 ASN 27 1HD2 ASN 27 2.734 -7.689 1.708
172 HD22 ASN 27 2HD2 ASN 27 3.504 -8.935 2.624
173 H LEU 28 H LEU 28 1.013 -3.640 4.615
174 HA LEU 28 HA LEU 28 1.595 -1.386 2.970
175 HB2 LEU 28 1HB LEU 28 -0.646 -2.049 3.002
176 HB3 LEU 28 2HB LEU 28 -0.684 -2.148 4.761
177 HG LEU 28 HG LEU 28 -0.525 0.344 4.831
178 HD11 LEU 28 1HD1 LEU 28 -0.377 1.629 2.996
179 HD12 LEU 28 2HD1 LEU 28 -1.433 0.582 2.048
180 HD13 LEU 28 3HD1 LEU 28 0.270 0.169 2.249
181 HD21 LEU 28 3HD2 LEU 28 -2.733 -1.315 4.229
182 HD22 LEU 28 1HD2 LEU 28 -2.934 0.182 3.319
183 HD23 LEU 28 2HD2 LEU 28 -2.726 0.236 5.070
184 H MET 29 H MET 29 1.034 -1.738 6.473
185 HA MET 29 HA MET 29 1.351 0.822 7.332
186 HB2 MET 29 1HB MET 29 2.098 -0.049 9.447
187 HB3 MET 29 2HB MET 29 0.904 -1.155 8.782
188 HG2 MET 29 1HG MET 29 2.624 -2.685 8.098
189 HG3 MET 29 2HG MET 29 3.879 -1.548 8.584
190 HE1 MET 29 3HE MET 29 4.481 -4.154 9.583
191 HE2 MET 29 1HE MET 29 5.259 -2.806 10.413
192 HE3 MET 29 2HE MET 29 4.522 -4.108 11.347
193 H VAL 30 H VAL 30 3.940 -1.439 6.482
194 HA VAL 30 HA VAL 30 6.051 0.367 7.156
195 HB VAL 30 HB VAL 30 6.054 -2.147 5.485
196 HG11 VAL 30 1HG1 VAL 30 8.367 -0.476 6.460
197 HG12 VAL 30 2HG1 VAL 30 8.511 -2.085 5.750
198 HG13 VAL 30 3HG1 VAL 30 7.891 -0.746 4.784
199 HG21 VAL 30 3HG2 VAL 30 7.077 -3.169 7.446
200 HG22 VAL 30 1HG2 VAL 30 6.993 -1.631 8.305
201 HG23 VAL 30 2HG2 VAL 30 5.509 -2.472 7.854
202 H HIS 31 H HIS 31 4.271 -0.415 4.232
203 HA HIS 31 HA HIS 31 5.989 0.995 2.449
204 HB2 HIS 31 1HB HIS 31 4.645 -0.650 1.436
205 HB3 HIS 31 2HB HIS 31 3.186 -0.079 2.240
206 HD1 HIS 31 HD1 HIS 31 5.398 0.602 -0.694
207 HD2 HIS 31 HD2 HIS 31 1.889 2.062 0.985
208 HE1 HIS 31 HE1 HIS 31 4.397 2.113 -2.436
209 H GLN 32 H GLN 32 3.552 1.950 4.656
210 HA GLN 32 HA GLN 32 2.892 4.421 3.327
211 HB2 GLN 32 1HB GLN 32 2.268 3.400 6.101
212 HB3 GLN 32 2HB GLN 32 1.664 4.917 5.447
213 HG2 GLN 32 1HG GLN 32 0.600 3.603 3.608
214 HG3 GLN 32 2HG GLN 32 1.060 2.138 4.475
215 HE21 GLN 32 1HE2 GLN 32 -1.578 2.831 3.848
216 HE22 GLN 32 2HE2 GLN 32 -2.432 3.116 5.323
217 H ARG 33 H ARG 33 4.834 3.441 6.125
218 HA ARG 33 HA ARG 33 5.611 6.059 6.872
219 HB2 ARG 33 1HB ARG 33 7.398 4.898 8.170
220 HB3 ARG 33 2HB ARG 33 5.782 4.275 8.473
221 HG2 ARG 33 1HG ARG 33 6.266 2.434 6.865
222 HG3 ARG 33 2HG ARG 33 7.928 3.022 6.778
223 HD2 ARG 33 1HD ARG 33 7.745 2.846 9.409
224 HD3 ARG 33 2HD ARG 33 6.496 1.668 9.007
225 HE ARG 33 HE ARG 33 8.124 0.244 8.204
226 HH11 ARG 33 1HH1 ARG 33 9.494 3.372 8.882
227 HH12 ARG 33 2HH1 ARG 33 11.133 2.833 8.724
228 HH21 ARG 33 1HH2 ARG 33 10.278 -0.478 7.993
229 HH22 ARG 33 2HH2 ARG 33 11.578 0.644 8.217
230 H THR 34 H THR 34 7.190 3.557 4.912
231 HA THR 34 HA THR 34 9.621 4.747 4.429
232 HB THR 34 HB THR 34 9.427 3.626 2.098
233 HG1 THR 34 HG1 THR 34 7.245 2.293 3.310
234 HG21 THR 34 3HG2 THR 34 10.415 1.864 3.068
235 HG22 THR 34 1HG2 THR 34 8.984 1.482 4.025
236 HG23 THR 34 2HG2 THR 34 10.128 2.697 4.595
237 H HIS 35 H HIS 35 6.569 5.280 2.696
238 HA HIS 35 HA HIS 35 7.188 6.804 0.598
239 HB2 HIS 35 1HB HIS 35 5.012 7.029 2.614
240 HB3 HIS 35 2HB HIS 35 5.202 8.363 1.480
241 HD1 HIS 35 HD1 HIS 35 5.856 6.823 -1.081
242 HD2 HIS 35 HD2 HIS 35 2.869 5.714 1.585
243 HE1 HIS 35 HE1 HIS 35 4.245 5.431 -2.418
244 H THR 36 H THR 36 6.870 8.223 3.856
245 HA THR 36 HA THR 36 7.521 10.789 3.500
246 HB THR 36 HB THR 36 8.737 10.784 5.655
247 HG1 THR 36 HG1 THR 36 9.870 8.884 5.625
248 HG21 THR 36 3HG2 THR 36 6.132 10.411 5.295
249 HG22 THR 36 1HG2 THR 36 6.857 10.411 6.902
250 HG23 THR 36 2HG2 THR 36 6.494 8.884 6.098
251 H GLY 37 H GLY 37 9.996 8.232 3.781
252 HA2 GLY 37 1HA GLY 37 11.982 10.112 2.711
253 HA3 GLY 37 2HA GLY 37 12.336 8.593 3.521
254 H GLU 38 H GLU 38 12.277 10.124 0.588
255 HA GLU 38 HA GLU 38 12.075 7.564 -0.859
256 HB2 GLU 38 1HB GLU 38 11.541 8.998 -2.873
257 HB3 GLU 38 2HB GLU 38 10.300 8.936 -1.630
258 HG2 GLU 38 1HG GLU 38 12.317 11.153 -1.820
259 HG3 GLU 38 2HG GLU 38 10.752 11.196 -2.629
260 H SER 39 H SER 39 13.973 6.839 -1.528
261 HA SER 39 HA SER 39 15.784 8.359 -3.056
262 HB2 SER 39 1HB SER 39 17.699 8.412 -1.479
263 HB3 SER 39 2HB SER 39 16.359 9.423 -0.938
264 HG SER 39 HG SER 39 16.604 6.753 -0.068
265 H GLY 40 H GLY 40 16.158 6.753 -4.454
266 HA2 GLY 40 1HA GLY 40 17.641 4.439 -3.543
267 HA3 GLY 40 2HA GLY 40 16.046 4.074 -4.186
268 HA PRO 41 HA PRO 41 19.296 4.290 -7.599
269 HB2 PRO 41 1HB PRO 41 19.158 1.682 -8.341
270 HB3 PRO 41 2HB PRO 41 20.275 2.271 -7.105
271 HG2 PRO 41 1HG PRO 41 17.625 0.919 -6.774
272 HG3 PRO 41 2HG PRO 41 19.136 0.653 -5.884
273 HD2 PRO 41 1HD PRO 41 17.101 2.137 -4.890
274 HD3 PRO 41 2HD PRO 41 18.803 2.483 -4.523
275 H SER 42 H SER 42 17.860 5.504 -8.832
276 HA SER 42 HA SER 42 16.292 3.984 -10.736
277 HB2 SER 42 1HB SER 42 14.677 4.397 -8.919
278 HB3 SER 42 2HB SER 42 14.996 6.127 -9.033
279 HG SER 42 HG SER 42 13.764 4.438 -10.938
280 H SER 43 H SER 43 15.449 5.391 -12.497
281 HA SER 43 HA SER 43 17.493 7.275 -13.263
282 HB2 SER 43 1HB SER 43 16.369 7.329 -15.418
283 HB3 SER 43 2HB SER 43 16.506 5.656 -14.877
284 HG SER 43 HG SER 43 14.245 7.281 -15.107
285 H GLY 44 H GLY 44 13.992 7.400 -12.655
286 HA2 GLY 44 1HA GLY 44 12.684 9.144 -11.909
287 HA3 GLY 44 2HA GLY 44 14.159 10.050 -11.607
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -9.430 17.916 -14.562
2 HA2 GLY 1 1HA GLY 1 -9.664 18.613 -11.834
3 HA3 GLY 1 2HA GLY 1 -11.267 18.513 -12.547
4 H SER 2 H SER 2 -8.284 16.698 -11.998
5 HA SER 2 HA SER 2 -9.882 14.277 -11.668
6 HB2 SER 2 1HB SER 2 -7.570 14.537 -13.599
7 HB3 SER 2 2HB SER 2 -8.197 12.986 -13.040
8 HG SER 2 HG SER 2 -10.315 14.123 -13.804
9 H SER 3 H SER 3 -9.227 13.100 -9.979
10 HA SER 3 HA SER 3 -6.487 12.982 -9.138
11 HB2 SER 3 1HB SER 3 -7.222 15.176 -8.196
12 HB3 SER 3 2HB SER 3 -8.458 14.323 -7.272
13 HG SER 3 HG SER 3 -6.988 13.830 -5.869
14 H GLY 4 H GLY 4 -6.240 11.620 -7.156
15 HA2 GLY 4 1HA GLY 4 -7.887 9.298 -7.394
16 HA3 GLY 4 2HA GLY 4 -6.584 9.534 -6.239
17 H SER 5 H SER 5 -9.979 10.272 -6.886
18 HA SER 5 HA SER 5 -10.380 10.826 -4.033
19 HB2 SER 5 1HB SER 5 -12.063 11.401 -6.473
20 HB3 SER 5 2HB SER 5 -12.674 11.596 -4.830
21 HG SER 5 HG SER 5 -10.919 13.157 -6.255
22 H SER 6 H SER 6 -11.626 8.833 -6.683
23 HA SER 6 HA SER 6 -13.327 7.326 -4.885
24 HB2 SER 6 1HB SER 6 -13.953 7.891 -7.272
25 HB3 SER 6 2HB SER 6 -12.734 6.726 -7.789
26 HG SER 6 HG SER 6 -13.942 5.223 -6.343
27 H GLY 7 H GLY 7 -11.890 6.324 -3.468
28 HA2 GLY 7 1HA GLY 7 -10.052 4.361 -4.684
29 HA3 GLY 7 2HA GLY 7 -9.840 5.071 -3.091
30 H THR 8 H THR 8 -11.200 2.511 -4.892
31 HA THR 8 HA THR 8 -12.485 1.465 -2.453
32 HB THR 8 HB THR 8 -13.269 0.773 -5.288
33 HG1 THR 8 HG1 THR 8 -14.315 2.606 -5.227
34 HG21 THR 8 3HG2 THR 8 -15.283 -0.151 -4.180
35 HG22 THR 8 1HG2 THR 8 -14.552 0.199 -2.615
36 HG23 THR 8 2HG2 THR 8 -13.800 -0.974 -3.697
37 H GLY 9 H GLY 9 -11.217 0.279 -5.578
38 HA2 GLY 9 1HA GLY 9 -9.937 -1.558 -6.086
39 HA3 GLY 9 2HA GLY 9 -9.152 -1.270 -4.540
40 H GLU 10 H GLU 10 -9.497 -3.827 -5.589
41 HA GLU 10 HA GLU 10 -11.712 -4.974 -4.049
42 HB2 GLU 10 1HB GLU 10 -10.055 -5.926 -6.348
43 HB3 GLU 10 2HB GLU 10 -10.809 -7.114 -5.294
44 HG2 GLU 10 1HG GLU 10 -12.132 -5.047 -7.015
45 HG3 GLU 10 2HG GLU 10 -12.297 -6.801 -7.079
46 H LYS 11 H LYS 11 -9.507 -3.938 -2.621
47 HA LYS 11 HA LYS 11 -8.520 -6.410 -1.382
48 HB2 LYS 11 1HB LYS 11 -6.901 -4.024 -2.238
49 HB3 LYS 11 2HB LYS 11 -6.357 -5.069 -0.932
50 HG2 LYS 11 1HG LYS 11 -7.085 -6.190 -3.612
51 HG3 LYS 11 2HG LYS 11 -5.484 -5.515 -3.299
52 HD2 LYS 11 1HD LYS 11 -6.625 -7.532 -1.414
53 HD3 LYS 11 2HD LYS 11 -5.937 -8.069 -2.948
54 HE2 LYS 11 1HE LYS 11 -4.440 -6.248 -1.088
55 HE3 LYS 11 2HE LYS 11 -4.395 -8.001 -0.906
56 HZ1 LYS 11 3HZ LYS 11 -2.955 -6.372 -2.707
57 HZ2 LYS 11 1HZ LYS 11 -3.905 -7.467 -3.580
58 HZ3 LYS 11 2HZ LYS 11 -2.806 -8.034 -2.427
59 HA PRO 12 HA PRO 12 -9.950 -4.546 2.341
60 HB2 PRO 12 1HB PRO 12 -8.480 -5.969 4.126
61 HB3 PRO 12 2HB PRO 12 -9.857 -6.653 3.254
62 HG2 PRO 12 1HG PRO 12 -6.931 -6.915 2.679
63 HG3 PRO 12 2HG PRO 12 -8.196 -8.157 2.633
64 HD2 PRO 12 1HD PRO 12 -7.258 -6.949 0.398
65 HD3 PRO 12 2HD PRO 12 -8.938 -7.503 0.551
66 H TYR 13 H TYR 13 -6.746 -4.311 1.227
67 HA TYR 13 HA TYR 13 -6.175 -2.230 3.232
68 HB2 TYR 13 1HB TYR 13 -4.023 -3.859 1.897
69 HB3 TYR 13 2HB TYR 13 -3.900 -2.852 3.336
70 HD1 TYR 13 HD2 TYR 13 -5.107 -3.621 5.441
71 HD2 TYR 13 HD1 TYR 13 -4.501 -6.151 2.073
72 HE1 TYR 13 HE2 TYR 13 -5.495 -5.593 6.859
73 HE2 TYR 13 HE1 TYR 13 -4.889 -8.129 3.482
74 HH TYR 13 HH TYR 13 -6.244 -8.520 5.772
75 H GLU 14 H GLU 14 -5.711 -0.274 2.446
76 HA GLU 14 HA GLU 14 -4.632 0.022 -0.240
77 HB2 GLU 14 1HB GLU 14 -7.382 0.844 0.572
78 HB3 GLU 14 2HB GLU 14 -6.485 1.903 -0.508
79 HG2 GLU 14 1HG GLU 14 -6.101 -0.196 -1.927
80 HG3 GLU 14 2HG GLU 14 -7.396 -0.910 -0.969
81 H CYS 15 H CYS 15 -2.957 1.331 -0.001
82 HA CYS 15 HA CYS 15 -2.356 2.868 2.213
83 HB2 CYS 15 1HB CYS 15 -0.943 2.193 0.088
84 HB3 CYS 15 2HB CYS 15 -1.429 3.787 -0.478
85 H ASN 16 H ASN 16 -1.878 5.373 1.905
86 HA ASN 16 HA ASN 16 -4.448 6.596 1.148
87 HB2 ASN 16 1HB ASN 16 -3.549 8.455 2.762
88 HB3 ASN 16 2HB ASN 16 -4.281 6.997 3.426
89 HD21 ASN 16 1HD2 ASN 16 -2.865 5.315 4.172
90 HD22 ASN 16 2HD2 ASN 16 -1.293 5.717 4.766
91 H GLU 17 H GLU 17 -0.943 7.168 1.237
92 HA GLU 17 HA GLU 17 -1.045 9.547 -0.316
93 HB2 GLU 17 1HB GLU 17 0.827 8.870 1.229
94 HB3 GLU 17 2HB GLU 17 1.313 7.692 0.017
95 HG2 GLU 17 1HG GLU 17 2.701 9.535 -0.334
96 HG3 GLU 17 2HG GLU 17 1.477 9.641 -1.598
97 H CYS 18 H CYS 18 0.015 6.239 -1.123
98 HA CYS 18 HA CYS 18 -0.091 6.895 -3.961
99 HB2 CYS 18 1HB CYS 18 0.993 4.763 -4.325
100 HB3 CYS 18 2HB CYS 18 1.835 5.620 -3.037
101 H GLN 19 H GLN 19 -1.998 5.387 -1.554
102 HA GLN 19 HA GLN 19 -4.000 4.309 -1.591
103 HB2 GLN 19 1HB GLN 19 -4.108 5.609 -4.314
104 HB3 GLN 19 2HB GLN 19 -5.465 4.758 -3.587
105 HG2 GLN 19 1HG GLN 19 -4.098 7.101 -2.293
106 HG3 GLN 19 2HG GLN 19 -5.496 7.251 -3.357
107 HE21 GLN 19 1HE2 GLN 19 -5.283 7.998 -0.584
108 HE22 GLN 19 2HE2 GLN 19 -6.469 7.080 0.273
109 H LYS 20 H LYS 20 -1.721 2.793 -2.284
110 HA LYS 20 HA LYS 20 -2.618 1.031 -4.441
111 HB2 LYS 20 1HB LYS 20 -0.034 1.184 -2.887
112 HB3 LYS 20 2HB LYS 20 -0.382 -0.077 -4.062
113 HG2 LYS 20 1HG LYS 20 -0.489 1.511 -5.841
114 HG3 LYS 20 2HG LYS 20 -0.394 2.862 -4.708
115 HD2 LYS 20 1HD LYS 20 1.859 2.063 -4.030
116 HD3 LYS 20 2HD LYS 20 1.757 0.826 -5.286
117 HE2 LYS 20 1HE LYS 20 1.908 2.369 -6.999
118 HE3 LYS 20 2HE LYS 20 1.326 3.696 -5.995
119 HZ1 LYS 20 3HZ LYS 20 3.621 2.970 -4.767
120 HZ2 LYS 20 1HZ LYS 20 3.467 4.253 -5.859
121 HZ3 LYS 20 2HZ LYS 20 4.009 2.744 -6.398
122 H ALA 21 H ALA 21 -2.695 -1.277 -4.119
123 HA ALA 21 HA ALA 21 -3.710 -1.955 -1.460
124 HB1 ALA 21 3HB ALA 21 -3.865 -3.697 -3.901
125 HB2 ALA 21 1HB ALA 21 -4.875 -3.734 -2.456
126 HB3 ALA 21 2HB ALA 21 -5.018 -2.398 -3.598
127 H PHE 22 H PHE 22 -3.087 -3.921 -0.413
128 HA PHE 22 HA PHE 22 -0.571 -5.116 -1.319
129 HB2 PHE 22 1HB PHE 22 -1.053 -3.924 1.415
130 HB3 PHE 22 2HB PHE 22 0.281 -5.012 1.049
131 HD1 PHE 22 HD2 PHE 22 -1.245 -1.828 -0.141
132 HD2 PHE 22 HD1 PHE 22 2.300 -4.119 0.403
133 HE1 PHE 22 HE2 PHE 22 0.104 0.088 -0.892
134 HE2 PHE 22 HE1 PHE 22 3.655 -2.207 -0.346
135 HZ PHE 22 HZ PHE 22 2.558 -0.100 -0.995
136 H ASN 23 H ASN 23 -0.194 -7.226 -0.572
137 HA ASN 23 HA ASN 23 -2.458 -8.840 -0.265
138 HB2 ASN 23 1HB ASN 23 -0.747 -10.608 0.437
139 HB3 ASN 23 2HB ASN 23 -0.525 -9.873 -1.148
140 HD21 ASN 23 1HD2 ASN 23 1.147 -10.978 1.314
141 HD22 ASN 23 2HD2 ASN 23 2.495 -9.897 1.324
142 H THR 24 H THR 24 -0.076 -7.757 2.138
143 HA THR 24 HA THR 24 -1.977 -8.547 4.249
144 HB THR 24 HB THR 24 -0.069 -8.821 5.765
145 HG1 THR 24 HG1 THR 24 1.657 -7.750 5.134
146 HG21 THR 24 3HG2 THR 24 1.049 -10.585 3.856
147 HG22 THR 24 1HG2 THR 24 -0.678 -10.478 3.518
148 HG23 THR 24 2HG2 THR 24 -0.122 -10.953 5.123
149 H LYS 25 H LYS 25 -1.766 -7.247 6.271
150 HA LYS 25 HA LYS 25 -1.919 -4.459 5.632
151 HB2 LYS 25 1HB LYS 25 -3.451 -5.343 7.261
152 HB3 LYS 25 2HB LYS 25 -2.130 -5.964 8.242
153 HG2 LYS 25 1HG LYS 25 -1.393 -3.620 8.624
154 HG3 LYS 25 2HG LYS 25 -2.842 -3.077 7.773
155 HD2 LYS 25 1HD LYS 25 -3.091 -4.981 10.065
156 HD3 LYS 25 2HD LYS 25 -2.843 -3.261 10.378
157 HE2 LYS 25 1HE LYS 25 -4.844 -2.674 9.263
158 HE3 LYS 25 2HE LYS 25 -5.005 -4.280 8.552
159 HZ1 LYS 25 3HZ LYS 25 -6.460 -3.709 10.546
160 HZ2 LYS 25 1HZ LYS 25 -5.060 -3.889 11.479
161 HZ3 LYS 25 2HZ LYS 25 -5.648 -5.193 10.577
162 H SER 26 H SER 26 0.160 -6.350 7.827
163 HA SER 26 HA SER 26 1.821 -4.487 8.834
164 HB2 SER 26 1HB SER 26 2.289 -7.282 7.907
165 HB3 SER 26 2HB SER 26 3.698 -6.313 8.336
166 HG SER 26 HG SER 26 2.319 -7.627 10.003
167 H ASN 27 H ASN 27 2.065 -5.852 5.570
168 HA ASN 27 HA ASN 27 4.398 -4.540 4.769
169 HB2 ASN 27 1HB ASN 27 3.316 -6.394 3.518
170 HB3 ASN 27 2HB ASN 27 2.034 -5.288 3.034
171 HD21 ASN 27 1HD2 ASN 27 4.280 -6.817 1.636
172 HD22 ASN 27 2HD2 ASN 27 4.989 -5.630 0.599
173 H LEU 28 H LEU 28 1.002 -3.546 4.482
174 HA LEU 28 HA LEU 28 1.494 -1.126 3.124
175 HB2 LEU 28 1HB LEU 28 -0.700 -1.944 3.050
176 HB3 LEU 28 2HB LEU 28 -0.778 -2.136 4.801
177 HG LEU 28 HG LEU 28 -0.798 0.342 5.013
178 HD11 LEU 28 1HD1 LEU 28 -1.568 0.683 2.194
179 HD12 LEU 28 2HD1 LEU 28 0.147 0.395 2.487
180 HD13 LEU 28 3HD1 LEU 28 -0.665 1.753 3.267
181 HD21 LEU 28 3HD2 LEU 28 -3.133 0.592 4.017
182 HD22 LEU 28 1HD2 LEU 28 -2.892 -0.697 5.198
183 HD23 LEU 28 2HD2 LEU 28 -2.953 -1.078 3.477
184 H MET 29 H MET 29 0.808 -1.727 6.573
185 HA MET 29 HA MET 29 1.023 0.822 7.552
186 HB2 MET 29 1HB MET 29 2.039 -1.714 8.847
187 HB3 MET 29 2HB MET 29 1.746 -0.197 9.687
188 HG2 MET 29 1HG MET 29 -0.379 -1.722 8.207
189 HG3 MET 29 2HG MET 29 -0.050 -1.910 9.928
190 HE1 MET 29 3HE MET 29 -3.139 -0.734 10.218
191 HE2 MET 29 1HE MET 29 -1.756 -1.448 11.047
192 HE3 MET 29 2HE MET 29 -2.309 0.167 11.487
193 H VAL 30 H VAL 30 3.691 -1.501 7.136
194 HA VAL 30 HA VAL 30 5.726 0.280 7.969
195 HB VAL 30 HB VAL 30 5.912 -2.175 6.218
196 HG11 VAL 30 1HG1 VAL 30 8.306 -1.634 7.660
197 HG12 VAL 30 2HG1 VAL 30 8.064 -1.726 5.915
198 HG13 VAL 30 3HG1 VAL 30 7.855 -0.189 6.755
199 HG21 VAL 30 3HG2 VAL 30 6.335 -1.781 9.179
200 HG22 VAL 30 1HG2 VAL 30 5.030 -2.684 8.410
201 HG23 VAL 30 2HG2 VAL 30 6.692 -3.265 8.295
202 H HIS 31 H HIS 31 4.490 -0.620 4.770
203 HA HIS 31 HA HIS 31 6.303 0.727 3.171
204 HB2 HIS 31 1HB HIS 31 4.856 -0.563 1.931
205 HB3 HIS 31 2HB HIS 31 3.446 -0.069 2.862
206 HD1 HIS 31 HD1 HIS 31 5.707 1.156 0.101
207 HD2 HIS 31 HD2 HIS 31 2.021 2.032 1.805
208 HE1 HIS 31 HE1 HIS 31 4.649 2.853 -1.423
209 H GLN 32 H GLN 32 3.168 1.966 4.339
210 HA GLN 32 HA GLN 32 3.072 4.457 3.372
211 HB2 GLN 32 1HB GLN 32 2.589 3.680 6.252
212 HB3 GLN 32 2HB GLN 32 2.072 5.201 5.536
213 HG2 GLN 32 1HG GLN 32 0.536 4.125 4.111
214 HG3 GLN 32 2HG GLN 32 1.225 2.538 4.445
215 HE21 GLN 32 1HE2 GLN 32 -1.517 3.369 4.700
216 HE22 GLN 32 2HE2 GLN 32 -1.956 3.146 6.355
217 H ARG 33 H ARG 33 5.208 3.419 5.987
218 HA ARG 33 HA ARG 33 6.228 5.866 6.783
219 HB2 ARG 33 1HB ARG 33 7.689 3.228 6.562
220 HB3 ARG 33 2HB ARG 33 8.241 4.617 7.488
221 HG2 ARG 33 1HG ARG 33 6.107 4.447 8.809
222 HG3 ARG 33 2HG ARG 33 5.824 2.906 7.997
223 HD2 ARG 33 1HD ARG 33 8.187 3.624 9.728
224 HD3 ARG 33 2HD ARG 33 6.866 2.536 10.153
225 HE ARG 33 HE ARG 33 7.859 1.410 7.918
226 HH11 ARG 33 1HH1 ARG 33 9.347 2.524 10.862
227 HH12 ARG 33 2HH1 ARG 33 10.632 1.363 10.805
228 HH21 ARG 33 1HH2 ARG 33 9.546 -0.123 7.832
229 HH22 ARG 33 2HH2 ARG 33 10.745 -0.141 9.081
230 H THR 34 H THR 34 7.409 3.730 4.197
231 HA THR 34 HA THR 34 9.640 4.992 3.337
232 HB THR 34 HB THR 34 9.158 4.245 1.063
233 HG1 THR 34 HG1 THR 34 6.938 3.103 0.984
234 HG21 THR 34 3HG2 THR 34 9.113 1.956 1.493
235 HG22 THR 34 1HG2 THR 34 8.000 2.132 2.849
236 HG23 THR 34 2HG2 THR 34 9.684 2.631 3.019
237 H HIS 35 H HIS 35 6.336 5.881 2.339
238 HA HIS 35 HA HIS 35 6.744 7.913 0.618
239 HB2 HIS 35 1HB HIS 35 4.755 7.666 2.860
240 HB3 HIS 35 2HB HIS 35 4.745 9.066 1.791
241 HD1 HIS 35 HD1 HIS 35 5.053 7.928 -0.930
242 HD2 HIS 35 HD2 HIS 35 2.788 6.039 1.996
243 HE1 HIS 35 HE1 HIS 35 3.452 6.441 -2.175
244 H THR 36 H THR 36 6.547 8.459 4.141
245 HA THR 36 HA THR 36 7.956 10.999 3.783
246 HB THR 36 HB THR 36 5.879 11.004 5.127
247 HG1 THR 36 HG1 THR 36 6.859 12.594 6.105
248 HG21 THR 36 3HG2 THR 36 6.082 10.037 7.467
249 HG22 THR 36 1HG2 THR 36 7.460 9.118 6.863
250 HG23 THR 36 2HG2 THR 36 5.861 8.875 6.159
251 H GLY 37 H GLY 37 9.483 8.649 3.422
252 HA2 GLY 37 1HA GLY 37 11.280 7.451 4.296
253 HA3 GLY 37 2HA GLY 37 11.832 9.090 4.606
254 H GLU 38 H GLU 38 12.943 8.638 6.478
255 HA GLU 38 HA GLU 38 11.264 7.894 8.779
256 HB2 GLU 38 1HB GLU 38 13.910 6.819 7.930
257 HB3 GLU 38 2HB GLU 38 13.619 7.014 9.652
258 HG2 GLU 38 1HG GLU 38 12.161 5.274 7.697
259 HG3 GLU 38 2HG GLU 38 13.017 4.808 9.166
260 H SER 39 H SER 39 11.694 10.521 7.969
261 HA SER 39 HA SER 39 12.735 11.658 10.357
262 HB2 SER 39 1HB SER 39 14.851 11.126 9.085
263 HB3 SER 39 2HB SER 39 14.324 12.280 7.860
264 HG SER 39 HG SER 39 15.690 12.843 9.970
265 H GLY 40 H GLY 40 12.659 14.073 10.292
266 HA2 GLY 40 1HA GLY 40 10.971 15.143 8.146
267 HA3 GLY 40 2HA GLY 40 10.361 15.218 9.793
268 HA PRO 41 HA PRO 41 14.253 18.110 9.545
269 HB2 PRO 41 1HB PRO 41 15.062 18.765 7.038
270 HB3 PRO 41 2HB PRO 41 15.711 17.381 7.926
271 HG2 PRO 41 1HG PRO 41 13.599 17.449 5.806
272 HG3 PRO 41 2HG PRO 41 14.941 16.309 6.012
273 HD2 PRO 41 1HD PRO 41 12.407 15.727 6.767
274 HD3 PRO 41 2HD PRO 41 13.827 15.094 7.623
275 H SER 42 H SER 42 11.298 18.195 8.048
276 HA SER 42 HA SER 42 11.346 21.138 7.900
277 HB2 SER 42 1HB SER 42 11.070 19.790 5.688
278 HB3 SER 42 2HB SER 42 9.432 19.493 6.269
279 HG SER 42 HG SER 42 9.605 21.978 6.603
280 H SER 43 H SER 43 10.164 22.016 9.451
281 HA SER 43 HA SER 43 8.319 20.505 11.014
282 HB2 SER 43 1HB SER 43 9.752 22.477 11.792
283 HB3 SER 43 2HB SER 43 8.558 23.514 11.011
284 HG SER 43 HG SER 43 7.860 23.312 13.070
285 H GLY 44 H GLY 44 6.260 20.095 10.582
286 HA2 GLY 44 1HA GLY 44 4.559 22.097 9.374
287 HA3 GLY 44 2HA GLY 44 4.853 20.698 8.352
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -10.729 -8.279 -24.343
2 HA2 GLY 1 1HA GLY 1 -10.604 -7.146 -21.808
3 HA3 GLY 1 2HA GLY 1 -9.287 -8.020 -22.576
4 H SER 2 H SER 2 -10.780 -4.839 -22.233
5 HA SER 2 HA SER 2 -8.980 -3.277 -23.619
6 HB2 SER 2 1HB SER 2 -11.084 -2.477 -22.514
7 HB3 SER 2 2HB SER 2 -10.236 -2.526 -20.969
8 HG SER 2 HG SER 2 -9.463 -0.987 -23.228
9 H SER 3 H SER 3 -7.308 -1.796 -22.711
10 HA SER 3 HA SER 3 -5.493 -3.337 -21.007
11 HB2 SER 3 1HB SER 3 -4.677 -2.549 -23.222
12 HB3 SER 3 2HB SER 3 -4.910 -0.885 -22.686
13 HG SER 3 HG SER 3 -3.352 -2.629 -21.135
14 H GLY 4 H GLY 4 -5.977 -2.915 -18.916
15 HA2 GLY 4 1HA GLY 4 -5.186 -0.456 -17.779
16 HA3 GLY 4 2HA GLY 4 -6.940 -0.508 -17.875
17 H SER 5 H SER 5 -5.888 -0.274 -15.430
18 HA SER 5 HA SER 5 -5.275 -2.707 -14.124
19 HB2 SER 5 1HB SER 5 -6.399 -0.146 -12.962
20 HB3 SER 5 2HB SER 5 -5.660 -1.456 -12.041
21 HG SER 5 HG SER 5 -4.082 0.054 -12.386
22 H SER 6 H SER 6 -6.547 -4.327 -13.527
23 HA SER 6 HA SER 6 -9.455 -3.854 -13.420
24 HB2 SER 6 1HB SER 6 -9.648 -6.316 -13.964
25 HB3 SER 6 2HB SER 6 -8.987 -5.318 -15.259
26 HG SER 6 HG SER 6 -7.768 -7.228 -14.942
27 H GLY 7 H GLY 7 -6.861 -5.903 -12.088
28 HA2 GLY 7 1HA GLY 7 -6.484 -6.446 -9.857
29 HA3 GLY 7 2HA GLY 7 -7.962 -5.598 -9.429
30 H THR 8 H THR 8 -6.529 -8.568 -9.577
31 HA THR 8 HA THR 8 -9.029 -10.024 -10.040
32 HB THR 8 HB THR 8 -7.649 -12.057 -10.055
33 HG1 THR 8 HG1 THR 8 -5.703 -10.238 -9.201
34 HG21 THR 8 3HG2 THR 8 -6.090 -11.266 -12.022
35 HG22 THR 8 1HG2 THR 8 -7.011 -9.771 -11.864
36 HG23 THR 8 2HG2 THR 8 -7.843 -11.286 -12.215
37 H GLY 9 H GLY 9 -8.902 -8.501 -7.685
38 HA2 GLY 9 1HA GLY 9 -9.974 -9.941 -5.740
39 HA3 GLY 9 2HA GLY 9 -8.283 -10.373 -5.532
40 H GLU 10 H GLU 10 -10.406 -7.530 -5.788
41 HA GLU 10 HA GLU 10 -8.809 -5.524 -4.931
42 HB2 GLU 10 1HB GLU 10 -11.282 -5.408 -5.455
43 HB3 GLU 10 2HB GLU 10 -11.578 -5.936 -3.805
44 HG2 GLU 10 1HG GLU 10 -9.841 -3.566 -4.257
45 HG3 GLU 10 2HG GLU 10 -11.586 -3.396 -4.443
46 H LYS 11 H LYS 11 -7.488 -5.242 -3.274
47 HA LYS 11 HA LYS 11 -7.569 -6.989 -0.991
48 HB2 LYS 11 1HB LYS 11 -5.772 -4.755 -1.882
49 HB3 LYS 11 2HB LYS 11 -5.648 -5.397 -0.249
50 HG2 LYS 11 1HG LYS 11 -4.034 -6.539 -1.514
51 HG3 LYS 11 2HG LYS 11 -5.368 -7.676 -1.305
52 HD2 LYS 11 1HD LYS 11 -6.207 -6.886 -3.565
53 HD3 LYS 11 2HD LYS 11 -4.647 -6.081 -3.754
54 HE2 LYS 11 1HE LYS 11 -4.225 -8.094 -4.776
55 HE3 LYS 11 2HE LYS 11 -3.699 -8.441 -3.129
56 HZ1 LYS 11 3HZ LYS 11 -5.169 -10.074 -3.035
57 HZ2 LYS 11 1HZ LYS 11 -5.655 -9.757 -4.624
58 HZ3 LYS 11 2HZ LYS 11 -6.440 -8.998 -3.333
59 HA PRO 12 HA PRO 12 -10.038 -4.495 1.668
60 HB2 PRO 12 1HB PRO 12 -9.155 -5.417 4.064
61 HB3 PRO 12 2HB PRO 12 -10.212 -6.356 3.004
62 HG2 PRO 12 1HG PRO 12 -7.245 -6.537 3.364
63 HG3 PRO 12 2HG PRO 12 -8.437 -7.843 3.227
64 HD2 PRO 12 1HD PRO 12 -6.886 -7.063 1.150
65 HD3 PRO 12 2HD PRO 12 -8.535 -7.684 0.930
66 H TYR 13 H TYR 13 -6.672 -4.240 1.436
67 HA TYR 13 HA TYR 13 -6.645 -1.899 3.225
68 HB2 TYR 13 1HB TYR 13 -4.239 -3.482 2.312
69 HB3 TYR 13 2HB TYR 13 -4.294 -2.245 3.563
70 HD1 TYR 13 HD2 TYR 13 -5.332 -2.733 5.744
71 HD2 TYR 13 HD1 TYR 13 -4.911 -5.741 2.764
72 HE1 TYR 13 HE2 TYR 13 -5.736 -4.465 7.443
73 HE2 TYR 13 HE1 TYR 13 -5.315 -7.481 4.455
74 HH TYR 13 HH TYR 13 -6.722 -7.152 7.132
75 H GLU 14 H GLU 14 -5.827 0.033 2.487
76 HA GLU 14 HA GLU 14 -4.659 0.231 -0.151
77 HB2 GLU 14 1HB GLU 14 -7.461 1.053 0.434
78 HB3 GLU 14 2HB GLU 14 -6.500 2.104 -0.597
79 HG2 GLU 14 1HG GLU 14 -7.476 0.757 -2.156
80 HG3 GLU 14 2HG GLU 14 -5.974 -0.118 -1.868
81 H CYS 15 H CYS 15 -3.082 1.671 -0.010
82 HA CYS 15 HA CYS 15 -2.524 3.227 2.208
83 HB2 CYS 15 1HB CYS 15 -1.109 2.601 0.057
84 HB3 CYS 15 2HB CYS 15 -1.636 4.195 -0.473
85 H ASN 16 H ASN 16 -2.105 5.762 1.805
86 HA ASN 16 HA ASN 16 -4.732 6.883 1.079
87 HB2 ASN 16 1HB ASN 16 -4.033 6.967 3.523
88 HB3 ASN 16 2HB ASN 16 -2.779 8.102 3.031
89 HD21 ASN 16 1HD2 ASN 16 -4.207 9.233 4.748
90 HD22 ASN 16 2HD2 ASN 16 -5.446 10.253 4.108
91 H GLU 17 H GLU 17 -1.275 7.722 1.288
92 HA GLU 17 HA GLU 17 -1.480 10.026 -0.345
93 HB2 GLU 17 1HB GLU 17 0.796 8.322 0.607
94 HB3 GLU 17 2HB GLU 17 1.078 9.572 -0.597
95 HG2 GLU 17 1HG GLU 17 -0.384 10.300 1.885
96 HG3 GLU 17 2HG GLU 17 1.359 10.048 1.969
97 H CYS 18 H CYS 18 -0.214 6.767 -1.043
98 HA CYS 18 HA CYS 18 -0.272 7.361 -3.900
99 HB2 CYS 18 1HB CYS 18 1.081 5.452 -4.211
100 HB3 CYS 18 2HB CYS 18 1.679 6.194 -2.731
101 H GLN 19 H GLN 19 -2.120 5.760 -1.505
102 HA GLN 19 HA GLN 19 -4.035 4.534 -1.565
103 HB2 GLN 19 1HB GLN 19 -4.334 5.465 -4.417
104 HB3 GLN 19 2HB GLN 19 -5.608 5.006 -3.294
105 HG2 GLN 19 1HG GLN 19 -4.584 7.010 -1.899
106 HG3 GLN 19 2HG GLN 19 -4.078 7.533 -3.505
107 HE21 GLN 19 1HE2 GLN 19 -6.656 7.252 -1.299
108 HE22 GLN 19 2HE2 GLN 19 -7.899 7.900 -2.307
109 H LYS 20 H LYS 20 -1.782 3.059 -1.994
110 HA LYS 20 HA LYS 20 -2.363 1.282 -4.248
111 HB2 LYS 20 1HB LYS 20 -0.061 1.956 -4.107
112 HB3 LYS 20 2HB LYS 20 0.020 1.509 -2.407
113 HG2 LYS 20 1HG LYS 20 -0.292 -0.845 -3.023
114 HG3 LYS 20 2HG LYS 20 -0.329 -0.382 -4.726
115 HD2 LYS 20 1HD LYS 20 1.914 0.051 -4.798
116 HD3 LYS 20 2HD LYS 20 1.992 0.503 -3.094
117 HE2 LYS 20 1HE LYS 20 3.075 -1.512 -3.029
118 HE3 LYS 20 2HE LYS 20 1.418 -2.040 -2.737
119 HZ1 LYS 20 3HZ LYS 20 1.270 -2.411 -5.200
120 HZ2 LYS 20 1HZ LYS 20 2.304 -3.463 -4.372
121 HZ3 LYS 20 2HZ LYS 20 2.944 -2.182 -5.272
122 H ALA 21 H ALA 21 -2.998 -0.806 -4.007
123 HA ALA 21 HA ALA 21 -4.012 -1.574 -1.405
124 HB1 ALA 21 3HB ALA 21 -5.542 -2.651 -2.597
125 HB2 ALA 21 1HB ALA 21 -4.751 -2.083 -4.068
126 HB3 ALA 21 2HB ALA 21 -4.302 -3.639 -3.368
127 H PHE 22 H PHE 22 -3.280 -3.208 -0.130
128 HA PHE 22 HA PHE 22 -0.885 -4.657 -1.045
129 HB2 PHE 22 1HB PHE 22 -1.419 -3.453 1.675
130 HB3 PHE 22 2HB PHE 22 -0.111 -4.585 1.349
131 HD1 PHE 22 HD2 PHE 22 -1.486 -1.347 0.123
132 HD2 PHE 22 HD1 PHE 22 1.958 -3.760 0.777
133 HE1 PHE 22 HE2 PHE 22 -0.048 0.524 -0.572
134 HE2 PHE 22 HE1 PHE 22 3.403 -1.892 0.085
135 HZ PHE 22 HZ PHE 22 2.400 0.253 -0.592
136 H ASN 23 H ASN 23 -0.878 -6.811 -0.750
137 HA ASN 23 HA ASN 23 -3.217 -8.217 -0.227
138 HB2 ASN 23 1HB ASN 23 -1.078 -9.018 -1.397
139 HB3 ASN 23 2HB ASN 23 -0.473 -9.380 0.217
140 HD21 ASN 23 1HD2 ASN 23 -1.849 -10.801 1.552
141 HD22 ASN 23 2HD2 ASN 23 -2.688 -12.089 0.763
142 H THR 24 H THR 24 -0.490 -7.499 1.918
143 HA THR 24 HA THR 24 -2.124 -8.436 4.186
144 HB THR 24 HB THR 24 -0.035 -8.810 5.419
145 HG1 THR 24 HG1 THR 24 1.106 -7.836 3.015
146 HG21 THR 24 3HG2 THR 24 0.801 -10.736 4.102
147 HG22 THR 24 1HG2 THR 24 -0.144 -10.172 2.725
148 HG23 THR 24 2HG2 THR 24 -0.959 -10.688 4.201
149 H LYS 25 H LYS 25 -2.021 -7.231 6.147
150 HA LYS 25 HA LYS 25 -2.047 -4.417 5.755
151 HB2 LYS 25 1HB LYS 25 -3.527 -5.464 7.373
152 HB3 LYS 25 2HB LYS 25 -2.150 -6.063 8.288
153 HG2 LYS 25 1HG LYS 25 -2.863 -4.213 9.495
154 HG3 LYS 25 2HG LYS 25 -1.499 -3.600 8.556
155 HD2 LYS 25 1HD LYS 25 -3.315 -2.952 6.819
156 HD3 LYS 25 2HD LYS 25 -4.431 -3.119 8.176
157 HE2 LYS 25 1HE LYS 25 -1.958 -1.406 8.277
158 HE3 LYS 25 2HE LYS 25 -3.528 -0.796 7.758
159 HZ1 LYS 25 3HZ LYS 25 -3.805 -2.180 10.200
160 HZ2 LYS 25 1HZ LYS 25 -4.125 -0.553 9.861
161 HZ3 LYS 25 2HZ LYS 25 -2.577 -1.026 10.353
162 H SER 26 H SER 26 0.010 -6.449 7.849
163 HA SER 26 HA SER 26 1.764 -4.693 8.859
164 HB2 SER 26 1HB SER 26 1.808 -7.267 8.967
165 HB3 SER 26 2HB SER 26 2.830 -7.179 7.532
166 HG SER 26 HG SER 26 4.029 -7.225 9.505
167 H ASN 27 H ASN 27 1.915 -5.964 5.550
168 HA ASN 27 HA ASN 27 4.264 -4.679 4.749
169 HB2 ASN 27 1HB ASN 27 2.717 -6.462 3.554
170 HB3 ASN 27 2HB ASN 27 2.028 -5.028 2.797
171 HD21 ASN 27 1HD2 ASN 27 3.595 -3.543 1.770
172 HD22 ASN 27 2HD2 ASN 27 4.950 -4.239 0.953
173 H LEU 28 H LEU 28 0.883 -3.614 4.510
174 HA LEU 28 HA LEU 28 1.290 -1.218 3.164
175 HB2 LEU 28 1HB LEU 28 -0.924 -1.896 3.395
176 HB3 LEU 28 2HB LEU 28 -0.766 -2.144 5.133
177 HG LEU 28 HG LEU 28 -0.596 0.357 5.366
178 HD11 LEU 28 1HD1 LEU 28 -1.982 1.003 2.958
179 HD12 LEU 28 2HD1 LEU 28 -0.457 0.215 2.554
180 HD13 LEU 28 3HD1 LEU 28 -0.463 1.653 3.575
181 HD21 LEU 28 3HD2 LEU 28 -2.668 -0.187 6.037
182 HD22 LEU 28 1HD2 LEU 28 -2.950 -1.239 4.650
183 HD23 LEU 28 2HD2 LEU 28 -3.167 0.504 4.492
184 H MET 29 H MET 29 1.165 -1.777 6.681
185 HA MET 29 HA MET 29 1.597 0.807 7.551
186 HB2 MET 29 1HB MET 29 2.366 -1.861 8.700
187 HB3 MET 29 2HB MET 29 2.787 -0.367 9.528
188 HG2 MET 29 1HG MET 29 -0.031 -0.923 8.694
189 HG3 MET 29 2HG MET 29 0.627 -1.589 10.187
190 HE1 MET 29 3HE MET 29 0.090 0.399 12.644
191 HE2 MET 29 1HE MET 29 1.394 -0.583 11.977
192 HE3 MET 29 2HE MET 29 1.653 1.134 12.284
193 H VAL 30 H VAL 30 4.101 -1.689 7.059
194 HA VAL 30 HA VAL 30 6.314 -0.063 7.524
195 HB VAL 30 HB VAL 30 6.184 -2.394 5.607
196 HG11 VAL 30 1HG1 VAL 30 8.621 -1.956 7.155
197 HG12 VAL 30 2HG1 VAL 30 8.413 -2.296 5.435
198 HG13 VAL 30 3HG1 VAL 30 8.250 -0.645 6.035
199 HG21 VAL 30 3HG2 VAL 30 7.239 -2.844 8.300
200 HG22 VAL 30 1HG2 VAL 30 5.517 -2.468 8.252
201 HG23 VAL 30 2HG2 VAL 30 6.148 -3.832 7.329
202 H HIS 31 H HIS 31 4.330 -0.437 4.675
203 HA HIS 31 HA HIS 31 6.116 0.820 2.851
204 HB2 HIS 31 1HB HIS 31 4.505 -0.484 1.792
205 HB3 HIS 31 2HB HIS 31 3.202 0.119 2.813
206 HD1 HIS 31 HD1 HIS 31 5.435 1.314 -0.012
207 HD2 HIS 31 HD2 HIS 31 1.736 2.123 1.698
208 HE1 HIS 31 HE1 HIS 31 4.353 3.009 -1.521
209 H GLN 32 H GLN 32 3.104 1.992 4.365
210 HA GLN 32 HA GLN 32 3.057 4.567 3.508
211 HB2 GLN 32 1HB GLN 32 2.467 3.615 6.315
212 HB3 GLN 32 2HB GLN 32 1.953 5.157 5.644
213 HG2 GLN 32 1HG GLN 32 0.446 4.151 4.175
214 HG3 GLN 32 2HG GLN 32 1.194 2.564 4.353
215 HE21 GLN 32 1HE2 GLN 32 -1.547 3.962 4.921
216 HE22 GLN 32 2HE2 GLN 32 -1.995 3.286 6.446
217 H ARG 33 H ARG 33 5.392 3.143 5.599
218 HA ARG 33 HA ARG 33 6.360 5.602 6.720
219 HB2 ARG 33 1HB ARG 33 7.329 2.760 6.711
220 HB3 ARG 33 2HB ARG 33 8.364 4.053 7.301
221 HG2 ARG 33 1HG ARG 33 6.259 4.651 8.747
222 HG3 ARG 33 2HG ARG 33 5.851 2.960 8.452
223 HD2 ARG 33 1HD ARG 33 8.036 2.288 9.340
224 HD3 ARG 33 2HD ARG 33 8.424 3.980 9.650
225 HE ARG 33 HE ARG 33 7.036 3.943 11.491
226 HH11 ARG 33 1HH1 ARG 33 6.644 1.023 9.636
227 HH12 ARG 33 2HH1 ARG 33 5.722 0.214 10.859
228 HH21 ARG 33 1HH2 ARG 33 5.823 2.888 13.110
229 HH22 ARG 33 2HH2 ARG 33 5.254 1.276 12.834
230 H THR 34 H THR 34 7.487 3.370 4.196
231 HA THR 34 HA THR 34 9.850 4.645 3.504
232 HB THR 34 HB THR 34 9.072 2.429 2.624
233 HG1 THR 34 HG1 THR 34 9.860 3.038 0.363
234 HG21 THR 34 3HG2 THR 34 7.074 4.163 1.384
235 HG22 THR 34 1HG2 THR 34 7.040 2.423 1.671
236 HG23 THR 34 2HG2 THR 34 7.854 3.066 0.244
237 H HIS 35 H HIS 35 6.616 5.677 3.032
238 HA HIS 35 HA HIS 35 6.835 7.261 0.744
239 HB2 HIS 35 1HB HIS 35 5.059 7.233 3.131
240 HB3 HIS 35 2HB HIS 35 5.054 8.688 2.139
241 HD1 HIS 35 HD1 HIS 35 5.350 7.241 -0.632
242 HD2 HIS 35 HD2 HIS 35 2.628 6.230 2.339
243 HE1 HIS 35 HE1 HIS 35 3.480 6.043 -1.813
244 H THR 36 H THR 36 7.131 8.292 4.148
245 HA THR 36 HA THR 36 8.227 10.843 3.366
246 HB THR 36 HB THR 36 8.460 11.236 5.811
247 HG1 THR 36 HG1 THR 36 8.712 9.338 6.803
248 HG21 THR 36 3HG2 THR 36 6.360 11.751 4.588
249 HG22 THR 36 1HG2 THR 36 6.095 11.362 6.287
250 HG23 THR 36 2HG2 THR 36 5.744 10.162 5.043
251 H GLY 37 H GLY 37 10.185 10.486 2.357
252 HA2 GLY 37 1HA GLY 37 12.470 10.284 3.980
253 HA3 GLY 37 2HA GLY 37 12.185 8.720 3.230
254 H GLU 38 H GLU 38 12.720 8.409 1.123
255 HA GLU 38 HA GLU 38 14.567 10.151 -0.077
256 HB2 GLU 38 1HB GLU 38 14.214 7.628 -0.459
257 HB3 GLU 38 2HB GLU 38 12.973 8.109 -1.607
258 HG2 GLU 38 1HG GLU 38 14.504 9.080 -3.053
259 HG3 GLU 38 2HG GLU 38 15.743 9.215 -1.806
260 H SER 39 H SER 39 14.263 10.903 -2.432
261 HA SER 39 HA SER 39 11.935 12.651 -2.455
262 HB2 SER 39 1HB SER 39 14.272 12.585 -4.377
263 HB3 SER 39 2HB SER 39 13.081 13.874 -4.204
264 HG SER 39 HG SER 39 14.033 14.540 -2.412
265 H GLY 40 H GLY 40 13.470 10.215 -4.533
266 HA2 GLY 40 1HA GLY 40 12.121 8.605 -5.709
267 HA3 GLY 40 2HA GLY 40 10.852 9.815 -5.824
268 HA PRO 41 HA PRO 41 13.383 9.614 -9.786
269 HB2 PRO 41 1HB PRO 41 11.343 8.867 -11.414
270 HB3 PRO 41 2HB PRO 41 12.374 7.705 -10.571
271 HG2 PRO 41 1HG PRO 41 9.644 8.692 -9.842
272 HG3 PRO 41 2HG PRO 41 10.289 7.041 -9.785
273 HD2 PRO 41 1HD PRO 41 10.081 8.600 -7.581
274 HD3 PRO 41 2HD PRO 41 11.372 7.399 -7.782
275 H SER 42 H SER 42 13.509 11.341 -11.121
276 HA SER 42 HA SER 42 11.578 13.477 -10.744
277 HB2 SER 42 1HB SER 42 14.259 13.327 -12.124
278 HB3 SER 42 2HB SER 42 13.230 14.757 -12.212
279 HG SER 42 HG SER 42 14.690 13.740 -10.082
280 H SER 43 H SER 43 9.775 12.637 -11.850
281 HA SER 43 HA SER 43 10.072 12.531 -14.780
282 HB2 SER 43 1HB SER 43 8.069 11.113 -13.008
283 HB3 SER 43 2HB SER 43 8.030 11.099 -14.771
284 HG SER 43 HG SER 43 9.573 9.671 -14.778
285 H GLY 44 H GLY 44 9.506 14.490 -15.516
286 HA2 GLY 44 1HA GLY 44 8.326 16.457 -15.772
287 HA3 GLY 44 2HA GLY 44 6.942 15.374 -15.758
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