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 |
|
|
551872 |
2m0d   |
18806 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 HT1 MET 1 -17.919 -0.900 -4.499
2 H2 MET 1 HT2 MET 1 -17.080 0.489 -4.977
3 H3 MET 1 HT3 MET 1 -18.239 0.586 -3.744
4 HA MET 1 HA MET 1 -16.028 0.644 -2.825
5 HB2 MET 1 HB2 MET 1 -17.640 -1.852 -2.317
6 HB3 MET 1 HB1 MET 1 -16.185 -1.489 -1.404
7 HG2 MET 1 HG2 MET 1 -18.070 -0.795 -0.128
8 HG3 MET 1 HG1 MET 1 -17.221 0.642 -0.689
9 HE1 MET 1 HE1 MET 1 -19.355 2.083 -0.021
10 HE2 MET 1 HE2 MET 1 -20.206 0.626 0.489
11 HE3 MET 1 HE3 MET 1 -20.983 1.759 -0.617
12 H LYS 2 HN LYS 2 -13.982 0.289 -3.308
13 HA LYS 2 HA LYS 2 -13.160 -2.407 -4.084
14 HB2 LYS 2 HB2 LYS 2 -13.373 -1.149 -6.208
15 HB3 LYS 2 HB1 LYS 2 -12.268 0.070 -5.585
16 HG2 LYS 2 HG2 LYS 2 -10.493 -1.594 -5.442
17 HG3 LYS 2 HG1 LYS 2 -11.598 -2.830 -6.044
18 HD2 LYS 2 HD2 LYS 2 -11.845 -1.561 -8.136
19 HD3 LYS 2 HD1 LYS 2 -10.705 -0.357 -7.526
20 HE2 LYS 2 HE2 LYS 2 -9.579 -1.908 -9.017
21 HE3 LYS 2 HE1 LYS 2 -8.974 -2.087 -7.372
22 HZ1 LYS 2 HZ1 LYS 2 -10.945 -3.863 -8.715
23 HZ2 LYS 2 HZ2 LYS 2 -10.428 -4.022 -7.111
24 HZ3 LYS 2 HZ3 LYS 2 -9.327 -4.238 -8.379
25 HA PRO 3 HA PRO 3 -10.395 -1.105 -0.861
26 HB2 PRO 3 HB2 PRO 3 -9.369 -3.801 -0.795
27 HB3 PRO 3 HB1 PRO 3 -10.462 -3.017 0.354
28 HG2 PRO 3 HG2 PRO 3 -11.211 -5.074 -1.280
29 HG3 PRO 3 HG1 PRO 3 -12.332 -3.844 -0.667
30 HD2 PRO 3 HD2 PRO 3 -10.958 -3.990 -3.328
31 HD3 PRO 3 HD1 PRO 3 -12.660 -3.607 -2.969
32 H TYR 4 HN TYR 4 -8.516 -0.236 -1.057
33 HA TYR 4 HA TYR 4 -6.804 -0.790 -3.316
34 HB2 TYR 4 HB2 TYR 4 -6.413 1.191 -1.053
35 HB3 TYR 4 HB1 TYR 4 -5.521 1.149 -2.578
36 HD1 TYR 4 HD1 TYR 4 -8.769 1.907 -1.018
37 HD2 TYR 4 HD2 TYR 4 -6.472 2.043 -4.594
38 HE1 TYR 4 HE1 TYR 4 -10.441 3.399 -2.025
39 HE2 TYR 4 HE2 TYR 4 -8.138 3.537 -5.616
40 HH TYR 4 HH TYR 4 -10.310 4.311 -5.414
41 H GLN 5 HN GLN 5 -6.366 -2.957 -2.643
42 HA GLN 5 HA GLN 5 -4.881 -3.399 -0.198
43 HB2 GLN 5 HB2 GLN 5 -4.929 -5.805 -1.024
44 HB3 GLN 5 HB1 GLN 5 -6.483 -5.070 -0.658
45 HG2 GLN 5 HG2 GLN 5 -6.785 -4.613 -3.071
46 HG3 GLN 5 HG1 GLN 5 -5.282 -5.475 -3.386
47 HE21 GLN 5 HE21 GLN 5 -8.076 -5.994 -4.201
48 HE22 GLN 5 HE22 GLN 5 -8.415 -7.612 -3.683
49 H CYS 6 HN CYS 6 -2.813 -4.443 -0.122
50 HA CYS 6 HA CYS 6 -1.075 -3.542 -2.291
51 HB2 CYS 6 HB2 CYS 6 -0.512 -2.990 0.021
52 HB3 CYS 6 HB1 CYS 6 -0.508 -4.693 0.432
53 H ASP 7 HN ASP 7 -0.086 -4.866 -3.663
54 HA ASP 7 HA ASP 7 -1.129 -7.430 -4.099
55 HB2 ASP 7 HB2 ASP 7 -0.225 -5.984 -5.874
56 HB3 ASP 7 HB1 ASP 7 1.405 -6.235 -5.238
57 H TYR 8 HN TYR 8 1.505 -6.484 -2.063
58 HA TYR 8 HA TYR 8 2.632 -9.210 -2.191
59 HB2 TYR 8 HB2 TYR 8 3.927 -6.975 -0.673
60 HB3 TYR 8 HB1 TYR 8 4.673 -8.383 -1.421
61 HD1 TYR 8 HD2 TYR 8 4.162 -8.335 -4.160
62 HD2 TYR 8 HD1 TYR 8 4.555 -5.001 -1.553
63 HE1 TYR 8 HE2 TYR 8 4.831 -6.930 -6.066
64 HE2 TYR 8 HE1 TYR 8 5.227 -3.586 -3.434
65 HH TYR 8 HH TYR 8 4.855 -4.539 -6.682
66 H CYS 9 HN CYS 9 0.878 -6.987 -0.334
67 HA CYS 9 HA CYS 9 1.572 -8.253 2.202
68 HB2 CYS 9 HB2 CYS 9 0.350 -5.665 1.369
69 HB3 CYS 9 HB1 CYS 9 0.215 -6.198 3.018
70 H GLY 10 HN GLY 10 -1.080 -7.890 -0.031
71 HA2 GLY 10 HA2 GLY 10 -3.169 -8.852 -0.056
72 HA3 GLY 10 HA1 GLY 10 -2.681 -9.811 1.344
73 H ARG 11 HN ARG 11 -2.118 -6.592 1.992
74 HA ARG 11 HA ARG 11 -4.404 -6.535 3.782
75 HB2 ARG 11 HB2 ARG 11 -2.261 -6.043 4.763
76 HB3 ARG 11 HB1 ARG 11 -1.926 -4.821 3.539
77 HG2 ARG 11 HG2 ARG 11 -2.479 -3.672 5.520
78 HG3 ARG 11 HG1 ARG 11 -3.872 -3.535 4.448
79 HD2 ARG 11 HD2 ARG 11 -3.717 -5.701 6.515
80 HD3 ARG 11 HD1 ARG 11 -4.263 -4.075 6.944
81 HE ARG 11 HE ARG 11 -5.971 -4.452 5.088
82 HH11 ARG 11 HH11 ARG 11 -4.698 -6.989 7.144
83 HH12 ARG 11 HH12 ARG 11 -6.077 -8.029 6.943
84 HH21 ARG 11 HH21 ARG 11 -7.815 -5.793 4.844
85 HH22 ARG 11 HH22 ARG 11 -7.859 -7.335 5.645
86 H SER 12 HN SER 12 -6.123 -5.361 3.426
87 HA SER 12 HA SER 12 -6.294 -3.719 1.062
88 HB2 SER 12 HB2 SER 12 -8.727 -3.507 1.975
89 HB3 SER 12 HB1 SER 12 -8.186 -5.066 1.348
90 HG SER 12 HG SER 12 -9.286 -5.061 3.469
91 H PHE 13 HN PHE 13 -5.670 -1.650 1.152
92 HA PHE 13 HA PHE 13 -6.075 -0.118 3.613
93 HB2 PHE 13 HB2 PHE 13 -4.763 0.768 1.032
94 HB3 PHE 13 HB1 PHE 13 -4.701 1.590 2.592
95 HD1 PHE 13 HD1 PHE 13 -3.289 0.703 4.406
96 HD2 PHE 13 HD2 PHE 13 -3.348 -1.104 0.550
97 HE1 PHE 13 HE1 PHE 13 -1.193 -0.486 4.927
98 HE2 PHE 13 HE2 PHE 13 -1.262 -2.295 1.069
99 HZ PHE 13 HZ PHE 13 -0.165 -1.989 3.255
100 H SER 14 HN SER 14 -7.766 1.215 3.837
101 HA SER 14 HA SER 14 -9.687 1.374 1.690
102 HB2 SER 14 HB2 SER 14 -9.778 2.647 4.437
103 HB3 SER 14 HB1 SER 14 -11.136 2.429 3.332
104 HG SER 14 HG SER 14 -11.245 0.361 3.817
105 H ASP 15 HN ASP 15 -6.943 2.929 2.075
106 HA ASP 15 HA ASP 15 -7.973 5.435 0.957
107 HB2 ASP 15 HB2 ASP 15 -7.644 6.151 3.166
108 HB3 ASP 15 HB1 ASP 15 -6.216 5.146 3.382
109 HA PRO 16 HA PRO 16 -4.875 4.291 -2.009
110 HB2 PRO 16 HB2 PRO 16 -5.336 6.991 -3.091
111 HB3 PRO 16 HB1 PRO 16 -5.591 5.418 -3.850
112 HG2 PRO 16 HG2 PRO 16 -7.642 6.973 -3.081
113 HG3 PRO 16 HG1 PRO 16 -7.724 5.204 -2.996
114 HD2 PRO 16 HD2 PRO 16 -7.234 7.190 -0.811
115 HD3 PRO 16 HD1 PRO 16 -8.216 5.704 -0.791
116 H THR 17 HN THR 17 -4.824 7.189 -0.094
117 HA THR 17 HA THR 17 -2.316 8.192 -0.934
118 HB THR 17 HB THR 17 -3.342 8.698 1.830
119 HG1 THR 17 HG1 THR 17 -5.258 8.888 0.795
120 HG21 THR 17 HG21 THR 17 -1.325 9.841 1.031
121 HG22 THR 17 HG22 THR 17 -2.640 10.987 1.296
122 HG23 THR 17 HG23 THR 17 -2.229 10.481 -0.343
123 H SER 18 HN SER 18 -3.277 6.440 2.035
124 HA SER 18 HA SER 18 -0.571 6.081 2.840
125 HB2 SER 18 HB2 SER 18 -1.628 4.491 4.538
126 HB3 SER 18 HB1 SER 18 -2.174 6.167 4.591
127 HG SER 18 HG SER 18 -4.049 5.586 3.561
128 H LYS 19 HN LYS 19 -2.870 4.140 1.062
129 HA LYS 19 HA LYS 19 -1.285 1.809 0.945
130 HB2 LYS 19 HB2 LYS 19 -3.395 1.321 0.232
131 HB3 LYS 19 HB1 LYS 19 -3.644 2.897 -0.492
132 HG2 LYS 19 HG2 LYS 19 -1.804 0.932 -1.796
133 HG3 LYS 19 HG1 LYS 19 -3.553 0.767 -1.973
134 HD2 LYS 19 HD2 LYS 19 -3.718 2.962 -2.935
135 HD3 LYS 19 HD1 LYS 19 -2.014 3.282 -2.610
136 HE2 LYS 19 HE2 LYS 19 -3.113 1.201 -4.491
137 HE3 LYS 19 HE1 LYS 19 -2.370 2.731 -4.951
138 HZ1 LYS 19 HZ1 LYS 19 -0.685 1.164 -5.186
139 HZ2 LYS 19 HZ2 LYS 19 -1.090 0.352 -3.752
140 HZ3 LYS 19 HZ3 LYS 19 -0.352 1.878 -3.685
141 H MET 20 HN MET 20 -0.914 4.909 -0.366
142 HA MET 20 HA MET 20 0.649 4.023 -2.663
143 HB2 MET 20 HB2 MET 20 -0.915 6.060 -2.670
144 HB3 MET 20 HB1 MET 20 0.326 6.865 -1.702
145 HG2 MET 20 HG2 MET 20 0.518 7.411 -4.076
146 HG3 MET 20 HG1 MET 20 1.948 6.581 -3.466
147 HE1 MET 20 HE1 MET 20 2.793 6.008 -5.889
148 HE2 MET 20 HE2 MET 20 1.420 6.900 -6.546
149 HE3 MET 20 HE3 MET 20 1.780 5.275 -7.132
150 H ARG 21 HN ARG 21 1.129 6.067 0.205
151 HA ARG 21 HA ARG 21 3.895 6.270 0.159
152 HB2 ARG 21 HB2 ARG 21 2.005 6.081 2.510
153 HB3 ARG 21 HB1 ARG 21 3.703 6.507 2.657
154 HG2 ARG 21 HG2 ARG 21 2.054 8.097 0.778
155 HG3 ARG 21 HG1 ARG 21 1.781 8.322 2.504
156 HD2 ARG 21 HD2 ARG 21 3.388 9.926 1.958
157 HD3 ARG 21 HD1 ARG 21 4.305 8.618 2.695
158 HE ARG 21 HE ARG 21 4.250 8.291 -0.122
159 HH11 ARG 21 HH11 ARG 21 5.669 10.257 2.410
160 HH12 ARG 21 HH12 ARG 21 7.067 10.704 1.473
161 HH21 ARG 21 HH21 ARG 21 6.084 8.909 -1.386
162 HH22 ARG 21 HH22 ARG 21 7.276 9.975 -0.694
163 H HIS 22 HN HIS 22 1.854 3.739 1.570
164 HA HIS 22 HA HIS 22 3.918 2.237 2.739
165 HB2 HIS 22 HB2 HIS 22 1.640 1.857 3.404
166 HB3 HIS 22 HB1 HIS 22 1.168 1.439 1.757
167 HD1 HIS 22 HD1 HIS 22 2.806 0.011 4.814
168 HD2 HIS 22 HD2 HIS 22 1.802 -1.131 0.942
169 HE1 HIS 22 HE1 HIS 22 3.062 -2.502 4.725
170 H LEU 23 HN LEU 23 2.653 2.300 -0.544
171 HA LEU 23 HA LEU 23 4.012 -0.125 -1.288
172 HB2 LEU 23 HB2 LEU 23 2.075 1.661 -2.501
173 HB3 LEU 23 HB1 LEU 23 3.322 1.171 -3.645
174 HG LEU 23 HG LEU 23 1.358 -0.310 -3.728
175 HD11 LEU 23 HD11 LEU 23 2.548 -2.430 -3.550
176 HD12 LEU 23 HD12 LEU 23 3.823 -1.644 -2.618
177 HD13 LEU 23 HD13 LEU 23 3.557 -1.194 -4.302
178 HD21 LEU 23 HD21 LEU 23 0.903 -1.833 -1.842
179 HD22 LEU 23 HD22 LEU 23 0.615 -0.141 -1.426
180 HD23 LEU 23 HD23 LEU 23 2.079 -0.949 -0.869
181 H GLU 24 HN GLU 24 4.649 3.315 -1.530
182 HA GLU 24 HA GLU 24 6.919 2.876 -3.272
183 HB2 GLU 24 HB2 GLU 24 7.218 5.316 -3.128
184 HB3 GLU 24 HB1 GLU 24 5.586 4.869 -3.608
185 HG2 GLU 24 HG2 GLU 24 4.867 5.203 -1.253
186 HG3 GLU 24 HG1 GLU 24 6.491 5.810 -0.897
187 H THR 25 HN THR 25 6.328 3.489 0.140
188 HA THR 25 HA THR 25 9.151 3.741 0.715
189 HB THR 25 HB THR 25 6.825 3.503 2.642
190 HG1 THR 25 HG1 THR 25 7.935 5.635 1.178
191 HG21 THR 25 HG21 THR 25 9.626 4.572 3.050
192 HG22 THR 25 HG22 THR 25 9.024 3.031 3.663
193 HG23 THR 25 HG23 THR 25 8.337 4.545 4.253
194 H HIS 26 HN HIS 26 7.079 1.194 0.091
195 HA HIS 26 HA HIS 26 8.057 -0.899 1.657
196 HB2 HIS 26 HB2 HIS 26 6.741 -0.624 -0.931
197 HB3 HIS 26 HB1 HIS 26 7.914 -1.937 -0.942
198 HD1 HIS 26 HD1 HIS 26 7.155 -2.594 2.255
199 HD2 HIS 26 HD2 HIS 26 4.668 -2.485 -1.092
200 HE1 HIS 26 HE1 HIS 26 5.136 -4.101 2.750
201 H ASP 27 HN ASP 27 9.466 0.899 -0.951
202 HA ASP 27 HA ASP 27 11.847 -0.672 -1.208
203 HB2 ASP 27 HB2 ASP 27 11.106 0.651 -3.086
204 HB3 ASP 27 HB1 ASP 27 11.096 2.119 -2.118
205 H THR 28 HN THR 28 12.102 -0.749 1.192
206 HA THR 28 HA THR 28 13.889 1.427 2.038
207 HB THR 28 HB THR 28 13.068 0.574 4.435
208 HG1 THR 28 HG1 THR 28 10.645 0.447 2.958
209 HG21 THR 28 HG21 THR 28 11.505 2.473 4.487
210 HG22 THR 28 HG22 THR 28 11.583 2.575 2.729
211 HG23 THR 28 HG23 THR 28 13.023 2.894 3.696
212 H ASP 29 HN ASP 29 14.903 -0.625 0.705
213 HA ASP 29 HA ASP 29 15.660 -2.827 2.392
214 HB2 ASP 29 HB2 ASP 29 15.390 -3.095 -0.047
215 HB3 ASP 29 HB1 ASP 29 16.718 -1.970 -0.314
216 H LYS 30 HN LYS 30 17.015 0.216 1.350
217 HA LYS 30 HA LYS 30 19.058 -0.031 3.421
218 HB2 LYS 30 HB2 LYS 30 20.164 -0.715 1.323
219 HB3 LYS 30 HB1 LYS 30 19.678 0.802 0.575
220 HG2 LYS 30 HG2 LYS 30 21.042 2.040 2.158
221 HG3 LYS 30 HG1 LYS 30 21.500 0.538 2.959
222 HD2 LYS 30 HD2 LYS 30 22.611 -0.226 0.939
223 HD3 LYS 30 HD1 LYS 30 22.097 1.232 0.084
224 HE2 LYS 30 HE2 LYS 30 24.426 1.388 0.841
225 HE3 LYS 30 HE1 LYS 30 23.402 2.609 1.594
226 HZ1 LYS 30 HZ1 LYS 30 23.298 1.255 3.591
227 HZ2 LYS 30 HZ2 LYS 30 24.914 1.587 3.186
228 HZ3 LYS 30 HZ3 LYS 30 24.256 0.058 2.861
Start of MODEL 2
1 H1 MET 1 HT1 MET 1 -16.948 -2.441 0.634
2 H2 MET 1 HT2 MET 1 -16.102 -1.518 -0.506
3 H3 MET 1 HT3 MET 1 -15.252 -2.463 0.621
4 HA MET 1 HA MET 1 -16.076 -4.471 -0.341
5 HB2 MET 1 HB2 MET 1 -17.566 -2.590 -2.165
6 HB3 MET 1 HB1 MET 1 -17.320 -4.289 -2.539
7 HG2 MET 1 HG2 MET 1 -19.495 -4.028 -1.607
8 HG3 MET 1 HG1 MET 1 -18.487 -4.874 -0.438
9 HE1 MET 1 HE1 MET 1 -20.883 -2.815 1.864
10 HE2 MET 1 HE2 MET 1 -20.224 -4.410 1.505
11 HE3 MET 1 HE3 MET 1 -21.276 -3.609 0.338
12 H LYS 2 HN LYS 2 -15.165 -1.549 -2.146
13 HA LYS 2 HA LYS 2 -13.040 -3.096 -3.466
14 HB2 LYS 2 HB2 LYS 2 -14.378 -0.481 -4.100
15 HB3 LYS 2 HB1 LYS 2 -12.800 -0.865 -4.769
16 HG2 LYS 2 HG2 LYS 2 -15.304 -2.489 -5.142
17 HG3 LYS 2 HG1 LYS 2 -14.595 -1.393 -6.331
18 HD2 LYS 2 HD2 LYS 2 -12.470 -2.837 -6.039
19 HD3 LYS 2 HD1 LYS 2 -13.561 -4.022 -5.324
20 HE2 LYS 2 HE2 LYS 2 -13.792 -2.828 -8.083
21 HE3 LYS 2 HE1 LYS 2 -13.213 -4.446 -7.703
22 HZ1 LYS 2 HZ1 LYS 2 -15.425 -4.922 -6.752
23 HZ2 LYS 2 HZ2 LYS 2 -15.478 -4.558 -8.406
24 HZ3 LYS 2 HZ3 LYS 2 -15.958 -3.396 -7.271
25 HA PRO 3 HA PRO 3 -10.607 -0.770 -0.418
26 HB2 PRO 3 HB2 PRO 3 -9.081 -3.005 0.254
27 HB3 PRO 3 HB1 PRO 3 -10.528 -2.452 1.113
28 HG2 PRO 3 HG2 PRO 3 -10.229 -4.852 -0.366
29 HG3 PRO 3 HG1 PRO 3 -11.723 -4.204 0.327
30 HD2 PRO 3 HD2 PRO 3 -10.689 -4.028 -2.455
31 HD3 PRO 3 HD1 PRO 3 -12.369 -4.094 -1.879
32 H TYR 4 HN TYR 4 -8.360 -0.236 -0.390
33 HA TYR 4 HA TYR 4 -6.993 -0.835 -2.910
34 HB2 TYR 4 HB2 TYR 4 -6.474 1.370 -0.895
35 HB3 TYR 4 HB1 TYR 4 -5.610 1.149 -2.422
36 HD1 TYR 4 HD2 TYR 4 -6.696 1.661 -4.545
37 HD2 TYR 4 HD1 TYR 4 -8.743 2.240 -0.866
38 HE1 TYR 4 HE2 TYR 4 -8.370 3.039 -5.701
39 HE2 TYR 4 HE1 TYR 4 -10.424 3.623 -2.013
40 HH TYR 4 HH TYR 4 -10.603 4.995 -4.058
41 H GLN 5 HN GLN 5 -6.308 -2.883 -2.271
42 HA GLN 5 HA GLN 5 -4.861 -3.349 0.141
43 HB2 GLN 5 HB2 GLN 5 -4.376 -5.568 -0.901
44 HB3 GLN 5 HB1 GLN 5 -6.085 -5.166 -0.844
45 HG2 GLN 5 HG2 GLN 5 -6.041 -4.541 -3.187
46 HG3 GLN 5 HG1 GLN 5 -4.310 -4.877 -3.257
47 HE21 GLN 5 HE21 GLN 5 -3.597 -6.986 -3.279
48 HE22 GLN 5 HE22 GLN 5 -4.654 -8.329 -3.552
49 H CYS 6 HN CYS 6 -2.609 -4.122 0.230
50 HA CYS 6 HA CYS 6 -0.882 -2.423 -1.365
51 HB2 CYS 6 HB2 CYS 6 -0.723 -3.028 1.134
52 HB3 CYS 6 HB1 CYS 6 -0.113 -4.565 0.566
53 H ASP 7 HN ASP 7 0.246 -3.125 -3.125
54 HA ASP 7 HA ASP 7 -0.645 -5.485 -4.381
55 HB2 ASP 7 HB2 ASP 7 1.557 -3.544 -5.077
56 HB3 ASP 7 HB1 ASP 7 1.050 -4.866 -6.135
57 H TYR 8 HN TYR 8 1.711 -5.206 -1.998
58 HA TYR 8 HA TYR 8 3.089 -7.621 -2.998
59 HB2 TYR 8 HB2 TYR 8 4.130 -6.049 -0.670
60 HB3 TYR 8 HB1 TYR 8 5.013 -7.037 -1.833
61 HD1 TYR 8 HD2 TYR 8 4.964 -6.058 -4.324
62 HD2 TYR 8 HD1 TYR 8 4.333 -3.801 -0.776
63 HE1 TYR 8 HE2 TYR 8 5.612 -4.006 -5.520
64 HE2 TYR 8 HE1 TYR 8 4.971 -1.750 -1.950
65 HH TYR 8 HH TYR 8 5.242 -1.578 -5.334
66 H CYS 9 HN CYS 9 0.750 -6.544 -0.887
67 HA CYS 9 HA CYS 9 1.530 -8.437 1.230
68 HB2 CYS 9 HB2 CYS 9 0.301 -5.707 1.413
69 HB3 CYS 9 HB1 CYS 9 0.499 -6.754 2.783
70 H GLY 10 HN GLY 10 -1.166 -7.007 -0.545
71 HA2 GLY 10 HA2 GLY 10 -3.248 -7.962 -0.936
72 HA3 GLY 10 HA1 GLY 10 -2.839 -9.262 0.186
73 H ARG 11 HN ARG 11 -2.024 -6.945 2.093
74 HA ARG 11 HA ARG 11 -4.364 -6.890 3.638
75 HB2 ARG 11 HB2 ARG 11 -2.237 -6.538 4.714
76 HB3 ARG 11 HB1 ARG 11 -1.891 -5.146 3.689
77 HG2 ARG 11 HG2 ARG 11 -3.681 -3.910 4.711
78 HG3 ARG 11 HG1 ARG 11 -4.131 -5.299 5.695
79 HD2 ARG 11 HD2 ARG 11 -2.000 -5.202 6.847
80 HD3 ARG 11 HD1 ARG 11 -1.476 -3.865 5.814
81 HE ARG 11 HE ARG 11 -3.919 -3.252 7.138
82 HH11 ARG 11 HH11 ARG 11 -0.461 -3.450 7.689
83 HH12 ARG 11 HH12 ARG 11 -0.477 -2.264 8.954
84 HH21 ARG 11 HH21 ARG 11 -3.930 -1.692 8.784
85 HH22 ARG 11 HH22 ARG 11 -2.442 -1.257 9.579
86 H SER 12 HN SER 12 -6.001 -5.437 3.795
87 HA SER 12 HA SER 12 -6.337 -3.745 1.466
88 HB2 SER 12 HB2 SER 12 -8.711 -3.570 2.548
89 HB3 SER 12 HB1 SER 12 -8.217 -5.069 1.759
90 HG SER 12 HG SER 12 -8.365 -6.049 3.603
91 H PHE 13 HN PHE 13 -5.618 -1.741 1.599
92 HA PHE 13 HA PHE 13 -6.053 -0.198 4.055
93 HB2 PHE 13 HB2 PHE 13 -4.549 0.582 1.545
94 HB3 PHE 13 HB1 PHE 13 -4.595 1.487 3.062
95 HD1 PHE 13 HD1 PHE 13 -3.349 0.726 4.996
96 HD2 PHE 13 HD2 PHE 13 -3.157 -1.385 1.306
97 HE1 PHE 13 HE1 PHE 13 -1.364 -0.480 5.794
98 HE2 PHE 13 HE2 PHE 13 -1.165 -2.597 2.102
99 HZ PHE 13 HZ PHE 13 -0.230 -2.158 4.279
100 H SER 14 HN SER 14 -7.593 1.312 4.183
101 HA SER 14 HA SER 14 -9.563 1.347 2.085
102 HB2 SER 14 HB2 SER 14 -9.504 2.963 4.645
103 HB3 SER 14 HB1 SER 14 -10.911 2.603 3.645
104 HG SER 14 HG SER 14 -10.704 0.426 4.195
105 H ASP 15 HN ASP 15 -6.721 2.818 2.204
106 HA ASP 15 HA ASP 15 -7.757 5.330 1.063
107 HB2 ASP 15 HB2 ASP 15 -5.481 5.081 3.038
108 HB3 ASP 15 HB1 ASP 15 -5.883 6.551 2.158
109 HA PRO 16 HA PRO 16 -5.178 3.809 -2.245
110 HB2 PRO 16 HB2 PRO 16 -5.523 6.021 -3.842
111 HB3 PRO 16 HB1 PRO 16 -6.666 4.677 -3.746
112 HG2 PRO 16 HG2 PRO 16 -6.744 7.334 -2.373
113 HG3 PRO 16 HG1 PRO 16 -8.066 6.422 -3.129
114 HD2 PRO 16 HD2 PRO 16 -7.724 6.461 -0.465
115 HD3 PRO 16 HD1 PRO 16 -8.294 5.001 -1.313
116 H THR 17 HN THR 17 -4.932 7.049 -0.888
117 HA THR 17 HA THR 17 -2.340 7.615 -1.892
118 HB THR 17 HB THR 17 -2.372 9.387 -0.062
119 HG1 THR 17 HG1 THR 17 -5.123 8.890 0.224
120 HG21 THR 17 HG21 THR 17 -4.095 10.743 -1.177
121 HG22 THR 17 HG22 THR 17 -4.700 9.298 -1.989
122 HG23 THR 17 HG23 THR 17 -3.077 9.898 -2.341
123 H SER 18 HN SER 18 -3.587 6.427 1.211
124 HA SER 18 HA SER 18 -1.026 6.339 2.425
125 HB2 SER 18 HB2 SER 18 -3.547 4.898 3.282
126 HB3 SER 18 HB1 SER 18 -2.139 5.234 4.291
127 HG SER 18 HG SER 18 -2.576 7.478 4.026
128 H LYS 19 HN LYS 19 -3.034 3.955 0.808
129 HA LYS 19 HA LYS 19 -1.299 1.768 1.249
130 HB2 LYS 19 HB2 LYS 19 -3.358 1.044 0.521
131 HB3 LYS 19 HB1 LYS 19 -3.566 2.378 -0.596
132 HG2 LYS 19 HG2 LYS 19 -1.520 0.283 -1.181
133 HG3 LYS 19 HG1 LYS 19 -3.225 -0.077 -1.450
134 HD2 LYS 19 HD2 LYS 19 -3.430 1.713 -3.019
135 HD3 LYS 19 HD1 LYS 19 -1.839 2.345 -2.595
136 HE2 LYS 19 HE2 LYS 19 -1.619 1.216 -4.677
137 HE3 LYS 19 HE1 LYS 19 -0.857 0.206 -3.452
138 HZ1 LYS 19 HZ1 LYS 19 -2.893 -1.144 -3.401
139 HZ2 LYS 19 HZ2 LYS 19 -2.167 -1.136 -4.930
140 HZ3 LYS 19 HZ3 LYS 19 -3.549 -0.194 -4.644
141 H MET 20 HN MET 20 -0.999 4.573 -0.603
142 HA MET 20 HA MET 20 0.728 3.337 -2.617
143 HB2 MET 20 HB2 MET 20 -0.818 4.888 -3.534
144 HB3 MET 20 HB1 MET 20 -0.426 6.110 -2.323
145 HG2 MET 20 HG2 MET 20 0.531 6.672 -4.485
146 HG3 MET 20 HG1 MET 20 1.798 6.360 -3.301
147 HE1 MET 20 HE1 MET 20 2.458 6.450 -6.398
148 HE2 MET 20 HE2 MET 20 3.516 5.043 -6.521
149 HE3 MET 20 HE3 MET 20 3.629 6.113 -5.123
150 H ARG 21 HN ARG 21 0.874 5.873 -0.138
151 HA ARG 21 HA ARG 21 3.650 6.342 -0.343
152 HB2 ARG 21 HB2 ARG 21 1.862 6.646 2.084
153 HB3 ARG 21 HB1 ARG 21 3.445 7.386 1.870
154 HG2 ARG 21 HG2 ARG 21 1.047 7.927 0.126
155 HG3 ARG 21 HG1 ARG 21 1.570 8.941 1.472
156 HD2 ARG 21 HD2 ARG 21 3.405 8.254 -0.801
157 HD3 ARG 21 HD1 ARG 21 2.293 9.618 -0.887
158 HE ARG 21 HE ARG 21 3.510 10.220 1.361
159 HH11 ARG 21 HH11 ARG 21 4.952 8.867 -1.532
160 HH12 ARG 21 HH12 ARG 21 6.452 9.720 -1.332
161 HH21 ARG 21 HH21 ARG 21 5.478 11.333 1.629
162 HH22 ARG 21 HH22 ARG 21 6.765 11.097 0.481
163 H HIS 22 HN HIS 22 1.726 4.032 1.484
164 HA HIS 22 HA HIS 22 3.896 2.894 2.928
165 HB2 HIS 22 HB2 HIS 22 1.760 2.520 3.833
166 HB3 HIS 22 HB1 HIS 22 1.085 2.039 2.276
167 HD1 HIS 22 HD1 HIS 22 3.154 0.676 5.136
168 HD2 HIS 22 HD2 HIS 22 1.271 -0.595 1.655
169 HE1 HIS 22 HE1 HIS 22 3.142 -1.847 5.220
170 H LEU 23 HN LEU 23 2.451 2.324 -0.196
171 HA LEU 23 HA LEU 23 3.491 -0.186 -0.819
172 HB2 LEU 23 HB2 LEU 23 1.842 1.492 -2.070
173 HB3 LEU 23 HB1 LEU 23 3.320 1.896 -2.943
174 HG LEU 23 HG LEU 23 3.515 -0.632 -3.379
175 HD11 LEU 23 HD11 LEU 23 0.606 -0.438 -2.617
176 HD12 LEU 23 HD12 LEU 23 1.851 -1.346 -1.757
177 HD13 LEU 23 HD13 LEU 23 1.379 -1.825 -3.389
178 HD21 LEU 23 HD21 LEU 23 2.066 -0.464 -5.329
179 HD22 LEU 23 HD22 LEU 23 2.989 1.019 -5.092
180 HD23 LEU 23 HD23 LEU 23 1.286 0.959 -4.635
181 H GLU 24 HN GLU 24 4.737 3.004 -1.760
182 HA GLU 24 HA GLU 24 7.080 2.032 -2.980
183 HB2 GLU 24 HB2 GLU 24 7.836 4.405 -2.881
184 HB3 GLU 24 HB1 GLU 24 6.229 4.199 -3.566
185 HG2 GLU 24 HG2 GLU 24 5.203 4.931 -1.526
186 HG3 GLU 24 HG1 GLU 24 6.774 4.990 -0.713
187 H THR 25 HN THR 25 6.375 2.951 0.330
188 HA THR 25 HA THR 25 9.115 3.192 1.115
189 HB THR 25 HB THR 25 6.708 2.841 2.916
190 HG1 THR 25 HG1 THR 25 6.271 4.678 1.811
191 HG21 THR 25 HG21 THR 25 9.422 4.083 3.416
192 HG22 THR 25 HG22 THR 25 8.872 2.530 4.048
193 HG23 THR 25 HG23 THR 25 8.084 4.022 4.566
194 H HIS 26 HN HIS 26 7.243 0.502 0.395
195 HA HIS 26 HA HIS 26 8.274 -1.366 2.264
196 HB2 HIS 26 HB2 HIS 26 6.934 -1.547 -0.379
197 HB3 HIS 26 HB1 HIS 26 7.918 -2.935 0.098
198 HD1 HIS 26 HD1 HIS 26 7.230 -4.053 2.471
199 HD2 HIS 26 HD2 HIS 26 4.473 -1.422 0.790
200 HE1 HIS 26 HE1 HIS 26 4.987 -4.477 3.616
201 H ASP 27 HN ASP 27 9.673 0.299 -0.358
202 HA ASP 27 HA ASP 27 12.093 -1.357 -0.105
203 HB2 ASP 27 HB2 ASP 27 11.108 -1.386 -2.390
204 HB3 ASP 27 HB1 ASP 27 11.282 0.366 -2.459
205 H THR 28 HN THR 28 13.111 -0.297 1.504
206 HA THR 28 HA THR 28 13.062 2.563 1.726
207 HB THR 28 HB THR 28 14.765 2.056 3.610
208 HG1 THR 28 HG1 THR 28 13.679 -0.562 3.418
209 HG21 THR 28 HG21 THR 28 12.958 1.376 5.118
210 HG22 THR 28 HG22 THR 28 11.955 0.951 3.731
211 HG23 THR 28 HG23 THR 28 12.424 2.630 4.003
212 H ASP 29 HN ASP 29 14.424 1.218 -0.608
213 HA ASP 29 HA ASP 29 17.165 2.140 -0.371
214 HB2 ASP 29 HB2 ASP 29 16.813 0.137 -1.670
215 HB3 ASP 29 HB1 ASP 29 15.567 0.918 -2.635
216 H LYS 30 HN LYS 30 14.103 3.305 -1.258
217 HA LYS 30 HA LYS 30 15.273 5.636 -2.624
218 HB2 LYS 30 HB2 LYS 30 12.621 4.302 -3.214
219 HB3 LYS 30 HB1 LYS 30 13.285 5.706 -4.046
220 HG2 LYS 30 HG2 LYS 30 14.920 4.459 -5.115
221 HG3 LYS 30 HG1 LYS 30 14.801 3.129 -3.963
222 HD2 LYS 30 HD2 LYS 30 12.491 2.704 -4.841
223 HD3 LYS 30 HD1 LYS 30 12.826 3.885 -6.109
224 HE2 LYS 30 HE2 LYS 30 13.215 1.542 -6.817
225 HE3 LYS 30 HE1 LYS 30 14.648 2.561 -6.942
226 HZ1 LYS 30 HZ1 LYS 30 14.132 0.827 -4.585
227 HZ2 LYS 30 HZ2 LYS 30 15.590 1.569 -5.046
228 HZ3 LYS 30 HZ3 LYS 30 14.972 0.280 -5.957
Start of MODEL 3
1 H1 MET 1 HT1 MET 1 -16.807 1.464 1.499
2 H2 MET 1 HT2 MET 1 -17.469 1.345 -0.056
3 H3 MET 1 HT3 MET 1 -17.626 2.785 0.817
4 HA MET 1 HA MET 1 -15.953 3.004 -0.881
5 HB2 MET 1 HB2 MET 1 -14.845 2.891 1.932
6 HB3 MET 1 HB1 MET 1 -14.055 3.686 0.582
7 HG2 MET 1 HG2 MET 1 -15.129 5.365 1.857
8 HG3 MET 1 HG1 MET 1 -16.060 5.160 0.376
9 HE1 MET 1 HE1 MET 1 -18.064 6.499 1.455
10 HE2 MET 1 HE2 MET 1 -17.181 6.690 2.970
11 HE3 MET 1 HE3 MET 1 -18.830 6.067 2.983
12 H LYS 2 HN LYS 2 -14.464 2.043 -2.125
13 HA LYS 2 HA LYS 2 -13.718 -0.686 -1.521
14 HB2 LYS 2 HB2 LYS 2 -14.408 -0.148 -3.786
15 HB3 LYS 2 HB1 LYS 2 -13.162 1.082 -3.910
16 HG2 LYS 2 HG2 LYS 2 -12.595 -0.981 -5.123
17 HG3 LYS 2 HG1 LYS 2 -11.431 -0.592 -3.858
18 HD2 LYS 2 HD2 LYS 2 -12.372 -2.259 -2.400
19 HD3 LYS 2 HD1 LYS 2 -13.697 -2.554 -3.526
20 HE2 LYS 2 HE2 LYS 2 -11.909 -4.287 -3.593
21 HE3 LYS 2 HE1 LYS 2 -12.203 -3.499 -5.142
22 HZ1 LYS 2 HZ1 LYS 2 -10.037 -2.637 -3.307
23 HZ2 LYS 2 HZ2 LYS 2 -10.234 -2.258 -4.951
24 HZ3 LYS 2 HZ3 LYS 2 -9.808 -3.834 -4.488
25 HA PRO 3 HA PRO 3 -9.757 0.723 0.046
26 HB2 PRO 3 HB2 PRO 3 -9.327 -1.931 1.047
27 HB3 PRO 3 HB1 PRO 3 -9.781 -0.482 1.959
28 HG2 PRO 3 HG2 PRO 3 -11.409 -2.674 1.613
29 HG3 PRO 3 HG1 PRO 3 -11.991 -1.036 1.967
30 HD2 PRO 3 HD2 PRO 3 -11.798 -2.448 -0.672
31 HD3 PRO 3 HD1 PRO 3 -13.120 -1.438 -0.034
32 H TYR 4 HN TYR 4 -7.590 0.189 -0.404
33 HA TYR 4 HA TYR 4 -7.322 -1.355 -2.887
34 HB2 TYR 4 HB2 TYR 4 -5.707 0.989 -1.866
35 HB3 TYR 4 HB1 TYR 4 -5.367 0.102 -3.359
36 HD1 TYR 4 HD2 TYR 4 -7.083 0.131 -5.200
37 HD2 TYR 4 HD1 TYR 4 -7.327 2.701 -1.815
38 HE1 TYR 4 HE2 TYR 4 -8.648 1.584 -6.420
39 HE2 TYR 4 HE1 TYR 4 -8.891 4.154 -3.026
40 HH TYR 4 HH TYR 4 -10.456 3.220 -5.850
41 H GLN 5 HN GLN 5 -6.183 -3.120 -2.842
42 HA GLN 5 HA GLN 5 -4.969 -4.049 -0.427
43 HB2 GLN 5 HB2 GLN 5 -6.229 -5.479 -1.983
44 HB3 GLN 5 HB1 GLN 5 -5.006 -5.216 -3.214
45 HG2 GLN 5 HG2 GLN 5 -3.360 -6.350 -1.844
46 HG3 GLN 5 HG1 GLN 5 -4.561 -6.582 -0.573
47 HE21 GLN 5 HE21 GLN 5 -6.702 -7.118 -2.497
48 HE22 GLN 5 HE22 GLN 5 -6.405 -8.713 -3.097
49 H CYS 6 HN CYS 6 -2.830 -4.337 0.078
50 HA CYS 6 HA CYS 6 -0.851 -2.919 -1.448
51 HB2 CYS 6 HB2 CYS 6 -0.898 -3.267 1.113
52 HB3 CYS 6 HB1 CYS 6 -0.284 -4.884 0.770
53 H ASP 7 HN ASP 7 0.297 -3.722 -3.058
54 HA ASP 7 HA ASP 7 -0.484 -6.154 -4.210
55 HB2 ASP 7 HB2 ASP 7 1.830 -4.326 -4.888
56 HB3 ASP 7 HB1 ASP 7 1.246 -5.643 -5.914
57 H TYR 8 HN TYR 8 1.721 -5.721 -1.689
58 HA TYR 8 HA TYR 8 3.213 -8.138 -2.508
59 HB2 TYR 8 HB2 TYR 8 4.075 -6.312 -0.277
60 HB3 TYR 8 HB1 TYR 8 5.041 -7.466 -1.191
61 HD1 TYR 8 HD2 TYR 8 5.262 -6.876 -3.789
62 HD2 TYR 8 HD1 TYR 8 4.312 -4.094 -0.715
63 HE1 TYR 8 HE2 TYR 8 6.088 -5.035 -5.199
64 HE2 TYR 8 HE1 TYR 8 5.130 -2.256 -2.111
65 HH TYR 8 HH TYR 8 5.747 -2.583 -5.410
66 H CYS 9 HN CYS 9 0.900 -6.861 -0.383
67 HA CYS 9 HA CYS 9 1.679 -8.710 1.770
68 HB2 CYS 9 HB2 CYS 9 0.341 -6.013 1.959
69 HB3 CYS 9 HB1 CYS 9 0.786 -7.033 3.311
70 H GLY 10 HN GLY 10 -1.026 -7.509 -0.121
71 HA2 GLY 10 HA2 GLY 10 -3.028 -8.666 -0.475
72 HA3 GLY 10 HA1 GLY 10 -2.636 -9.718 0.884
73 H ARG 11 HN ARG 11 -2.079 -6.865 2.215
74 HA ARG 11 HA ARG 11 -4.646 -6.733 3.491
75 HB2 ARG 11 HB2 ARG 11 -2.758 -6.313 4.894
76 HB3 ARG 11 HB1 ARG 11 -2.120 -5.104 3.776
77 HG2 ARG 11 HG2 ARG 11 -3.927 -3.606 4.301
78 HG3 ARG 11 HG1 ARG 11 -4.693 -4.819 5.325
79 HD2 ARG 11 HD2 ARG 11 -2.910 -4.717 6.903
80 HD3 ARG 11 HD1 ARG 11 -1.938 -3.706 5.823
81 HE ARG 11 HE ARG 11 -4.321 -2.352 6.308
82 HH11 ARG 11 HH11 ARG 11 -1.580 -3.487 8.179
83 HH12 ARG 11 HH12 ARG 11 -1.660 -2.163 9.313
84 HH21 ARG 11 HH21 ARG 11 -4.408 -0.617 7.788
85 HH22 ARG 11 HH22 ARG 11 -3.263 -0.553 9.098
86 H SER 12 HN SER 12 -6.242 -5.272 3.179
87 HA SER 12 HA SER 12 -5.904 -3.462 0.894
88 HB2 SER 12 HB2 SER 12 -8.444 -4.369 2.275
89 HB3 SER 12 HB1 SER 12 -8.349 -3.397 0.806
90 HG SER 12 HG SER 12 -7.818 -6.118 1.188
91 H PHE 13 HN PHE 13 -5.432 -1.436 1.329
92 HA PHE 13 HA PHE 13 -6.176 -0.231 3.895
93 HB2 PHE 13 HB2 PHE 13 -4.504 0.938 1.661
94 HB3 PHE 13 HB1 PHE 13 -4.646 1.547 3.309
95 HD1 PHE 13 HD2 PHE 13 -3.246 -1.131 1.205
96 HD2 PHE 13 HD1 PHE 13 -3.334 0.629 5.076
97 HE1 PHE 13 HE2 PHE 13 -1.267 -2.434 1.839
98 HE2 PHE 13 HE1 PHE 13 -1.345 -0.674 5.715
99 HZ PHE 13 HZ PHE 13 -0.298 -2.215 4.089
100 H SER 14 HN SER 14 -7.827 1.181 4.065
101 HA SER 14 HA SER 14 -9.389 1.702 1.683
102 HB2 SER 14 HB2 SER 14 -10.355 1.044 3.949
103 HB3 SER 14 HB1 SER 14 -9.971 2.682 4.480
104 HG SER 14 HG SER 14 -11.231 2.931 2.181
105 H ASP 15 HN ASP 15 -6.704 2.959 2.408
106 HA ASP 15 HA ASP 15 -7.542 5.714 1.788
107 HB2 ASP 15 HB2 ASP 15 -5.003 5.948 2.907
108 HB3 ASP 15 HB1 ASP 15 -6.525 6.405 3.664
109 HA PRO 16 HA PRO 16 -5.467 4.335 -1.956
110 HB2 PRO 16 HB2 PRO 16 -5.831 6.804 -3.186
111 HB3 PRO 16 HB1 PRO 16 -6.967 5.453 -3.251
112 HG2 PRO 16 HG2 PRO 16 -6.979 7.866 -1.494
113 HG3 PRO 16 HG1 PRO 16 -8.341 7.033 -2.268
114 HD2 PRO 16 HD2 PRO 16 -7.824 6.721 0.337
115 HD3 PRO 16 HD1 PRO 16 -8.385 5.352 -0.659
116 H THR 17 HN THR 17 -4.893 7.441 -0.363
117 HA THR 17 HA THR 17 -2.373 7.876 -1.636
118 HB THR 17 HB THR 17 -3.315 9.182 0.914
119 HG1 THR 17 HG1 THR 17 -3.845 10.451 -1.510
120 HG21 THR 17 HG21 THR 17 -2.019 11.079 0.090
121 HG22 THR 17 HG22 THR 17 -1.608 10.182 -1.371
122 HG23 THR 17 HG23 THR 17 -1.004 9.643 0.196
123 H SER 18 HN SER 18 -3.430 6.449 1.408
124 HA SER 18 HA SER 18 -0.789 6.406 2.500
125 HB2 SER 18 HB2 SER 18 -2.875 6.545 3.908
126 HB3 SER 18 HB1 SER 18 -3.201 4.868 3.474
127 HG SER 18 HG SER 18 -1.708 5.747 5.445
128 H LYS 19 HN LYS 19 -2.958 4.037 1.042
129 HA LYS 19 HA LYS 19 -1.196 1.858 1.221
130 HB2 LYS 19 HB2 LYS 19 -3.362 1.240 0.738
131 HB3 LYS 19 HB1 LYS 19 -3.611 2.559 -0.389
132 HG2 LYS 19 HG2 LYS 19 -1.683 0.439 -1.153
133 HG3 LYS 19 HG1 LYS 19 -3.403 0.040 -1.169
134 HD2 LYS 19 HD2 LYS 19 -3.788 2.045 -2.595
135 HD3 LYS 19 HD1 LYS 19 -2.039 2.276 -2.669
136 HE2 LYS 19 HE2 LYS 19 -3.440 -0.241 -3.528
137 HE3 LYS 19 HE1 LYS 19 -3.038 1.077 -4.625
138 HZ1 LYS 19 HZ1 LYS 19 -1.398 -0.765 -4.594
139 HZ2 LYS 19 HZ2 LYS 19 -1.039 -0.377 -2.988
140 HZ3 LYS 19 HZ3 LYS 19 -0.732 0.750 -4.218
141 H MET 20 HN MET 20 -1.064 4.714 -0.548
142 HA MET 20 HA MET 20 0.333 3.606 -2.852
143 HB2 MET 20 HB2 MET 20 -1.331 5.584 -2.869
144 HB3 MET 20 HB1 MET 20 -0.001 6.532 -2.203
145 HG2 MET 20 HG2 MET 20 0.186 5.008 -4.783
146 HG3 MET 20 HG1 MET 20 -0.329 6.687 -4.679
147 HE1 MET 20 HE1 MET 20 3.279 6.858 -6.210
148 HE2 MET 20 HE2 MET 20 1.575 7.249 -6.446
149 HE3 MET 20 HE3 MET 20 2.104 5.566 -6.452
150 H ARG 21 HN ARG 21 1.033 5.974 -0.297
151 HA ARG 21 HA ARG 21 3.839 5.930 -0.756
152 HB2 ARG 21 HB2 ARG 21 2.187 6.863 1.584
153 HB3 ARG 21 HB1 ARG 21 3.940 7.005 1.535
154 HG2 ARG 21 HG2 ARG 21 3.760 8.381 -0.483
155 HG3 ARG 21 HG1 ARG 21 2.001 8.255 -0.401
156 HD2 ARG 21 HD2 ARG 21 2.920 10.365 0.558
157 HD3 ARG 21 HD1 ARG 21 1.949 9.418 1.687
158 HE ARG 21 HE ARG 21 4.866 9.104 1.722
159 HH11 ARG 21 HH11 ARG 21 1.940 10.299 3.255
160 HH12 ARG 21 HH12 ARG 21 2.688 10.488 4.812
161 HH21 ARG 21 HH21 ARG 21 5.841 9.328 3.750
162 HH22 ARG 21 HH22 ARG 21 4.921 9.925 5.101
163 H HIS 22 HN HIS 22 1.663 3.912 0.982
164 HA HIS 22 HA HIS 22 3.530 2.582 2.633
165 HB2 HIS 22 HB2 HIS 22 1.115 2.377 2.976
166 HB3 HIS 22 HB1 HIS 22 0.942 1.590 1.405
167 HD1 HIS 22 HD1 HIS 22 2.079 0.928 4.940
168 HD2 HIS 22 HD2 HIS 22 1.604 -1.078 1.325
169 HE1 HIS 22 HE1 HIS 22 2.294 -1.542 5.458
170 H LEU 23 HN LEU 23 2.358 1.976 -0.665
171 HA LEU 23 HA LEU 23 3.986 -0.271 -1.203
172 HB2 LEU 23 HB2 LEU 23 2.169 1.379 -2.643
173 HB3 LEU 23 HB1 LEU 23 3.670 1.324 -3.561
174 HG LEU 23 HG LEU 23 3.535 -1.201 -3.408
175 HD11 LEU 23 HD11 LEU 23 0.728 -0.574 -2.507
176 HD12 LEU 23 HD12 LEU 23 1.985 -1.330 -1.530
177 HD13 LEU 23 HD13 LEU 23 1.348 -2.168 -2.943
178 HD21 LEU 23 HD21 LEU 23 2.970 0.024 -5.435
179 HD22 LEU 23 HD22 LEU 23 1.325 0.269 -4.847
180 HD23 LEU 23 HD23 LEU 23 1.897 -1.358 -5.223
181 H GLU 24 HN GLU 24 4.465 3.180 -1.506
182 HA GLU 24 HA GLU 24 6.959 3.228 -2.760
183 HB2 GLU 24 HB2 GLU 24 5.481 5.187 -2.379
184 HB3 GLU 24 HB1 GLU 24 5.882 5.127 -0.668
185 HG2 GLU 24 HG2 GLU 24 8.315 5.360 -1.464
186 HG3 GLU 24 HG1 GLU 24 7.599 5.900 -2.985
187 H THR 25 HN THR 25 6.102 2.894 0.654
188 HA THR 25 HA THR 25 8.857 3.111 1.498
189 HB THR 25 HB THR 25 7.770 2.544 3.792
190 HG1 THR 25 HG1 THR 25 5.472 3.396 2.331
191 HG21 THR 25 HG21 THR 25 7.145 5.100 2.307
192 HG22 THR 25 HG22 THR 25 8.623 4.744 3.201
193 HG23 THR 25 HG23 THR 25 7.092 4.898 4.058
194 H HIS 26 HN HIS 26 7.146 0.608 0.201
195 HA HIS 26 HA HIS 26 8.333 -1.463 1.842
196 HB2 HIS 26 HB2 HIS 26 6.561 -1.459 -0.557
197 HB3 HIS 26 HB1 HIS 26 7.536 -2.893 -0.249
198 HD1 HIS 26 HD1 HIS 26 7.194 -3.809 2.414
199 HD2 HIS 26 HD2 HIS 26 4.170 -1.551 0.654
200 HE1 HIS 26 HE1 HIS 26 5.054 -4.275 3.717
201 H ASP 27 HN ASP 27 9.774 0.655 0.092
202 HA ASP 27 HA ASP 27 11.493 -1.027 -1.523
203 HB2 ASP 27 HB2 ASP 27 10.965 1.271 -2.252
204 HB3 ASP 27 HB1 ASP 27 11.709 1.906 -0.790
205 H THR 28 HN THR 28 11.164 -0.328 1.687
206 HA THR 28 HA THR 28 13.838 -0.148 2.583
207 HB THR 28 HB THR 28 11.906 0.457 3.992
208 HG1 THR 28 HG1 THR 28 13.909 -0.182 4.987
209 HG21 THR 28 HG21 THR 28 10.548 -1.279 5.048
210 HG22 THR 28 HG22 THR 28 11.371 -2.511 4.093
211 HG23 THR 28 HG23 THR 28 10.364 -1.304 3.294
212 H ASP 29 HN ASP 29 12.103 -2.700 1.201
213 HA ASP 29 HA ASP 29 13.549 -4.842 2.477
214 HB2 ASP 29 HB2 ASP 29 11.637 -4.766 0.145
215 HB3 ASP 29 HB1 ASP 29 12.449 -6.241 0.663
216 H LYS 30 HN LYS 30 14.361 -2.593 0.202
217 HA LYS 30 HA LYS 30 15.997 -4.296 -1.474
218 HB2 LYS 30 HB2 LYS 30 14.964 -2.291 -2.431
219 HB3 LYS 30 HB1 LYS 30 15.807 -1.282 -1.265
220 HG2 LYS 30 HG2 LYS 30 17.954 -1.976 -2.244
221 HG3 LYS 30 HG1 LYS 30 17.081 -2.929 -3.444
222 HD2 LYS 30 HD2 LYS 30 16.499 -0.010 -3.106
223 HD3 LYS 30 HD1 LYS 30 17.894 -0.529 -4.047
224 HE2 LYS 30 HE2 LYS 30 15.978 -0.131 -5.489
225 HE3 LYS 30 HE1 LYS 30 16.423 -1.834 -5.505
226 HZ1 LYS 30 HZ1 LYS 30 14.599 -2.349 -4.089
227 HZ2 LYS 30 HZ2 LYS 30 14.001 -1.413 -5.371
228 HZ3 LYS 30 HZ3 LYS 30 14.234 -0.709 -3.843
Start of MODEL 4
1 H1 MET 1 HT1 MET 1 -15.682 3.803 -5.471
2 H2 MET 1 HT2 MET 1 -16.733 4.556 -4.370
3 H3 MET 1 HT3 MET 1 -16.950 2.922 -4.768
4 HA MET 1 HA MET 1 -14.551 4.009 -3.418
5 HB2 MET 1 HB2 MET 1 -15.410 3.051 -1.356
6 HB3 MET 1 HB1 MET 1 -16.571 4.207 -1.993
7 HG2 MET 1 HG2 MET 1 -17.932 2.402 -2.859
8 HG3 MET 1 HG1 MET 1 -16.749 1.219 -2.309
9 HE1 MET 1 HE1 MET 1 -19.758 0.586 0.101
10 HE2 MET 1 HE2 MET 1 -18.639 -0.132 -1.060
11 HE3 MET 1 HE3 MET 1 -19.848 1.034 -1.604
12 H LYS 2 HN LYS 2 -13.181 2.369 -2.568
13 HA LYS 2 HA LYS 2 -13.632 -0.395 -2.929
14 HB2 LYS 2 HB2 LYS 2 -11.934 -0.906 -4.613
15 HB3 LYS 2 HB1 LYS 2 -13.195 0.106 -5.299
16 HG2 LYS 2 HG2 LYS 2 -11.806 1.953 -5.462
17 HG3 LYS 2 HG1 LYS 2 -10.681 1.338 -4.248
18 HD2 LYS 2 HD2 LYS 2 -11.098 0.054 -6.944
19 HD3 LYS 2 HD1 LYS 2 -9.835 1.241 -6.608
20 HE2 LYS 2 HE2 LYS 2 -8.812 -0.188 -4.999
21 HE3 LYS 2 HE1 LYS 2 -10.167 -1.316 -5.052
22 HZ1 LYS 2 HZ1 LYS 2 -8.199 -2.070 -6.304
23 HZ2 LYS 2 HZ2 LYS 2 -8.375 -0.750 -7.352
24 HZ3 LYS 2 HZ3 LYS 2 -9.589 -1.934 -7.267
25 HA PRO 3 HA PRO 3 -10.171 -0.206 -0.124
26 HB2 PRO 3 HB2 PRO 3 -9.963 -3.053 -0.054
27 HB3 PRO 3 HB1 PRO 3 -10.809 -2.009 1.099
28 HG2 PRO 3 HG2 PRO 3 -12.037 -3.824 -0.585
29 HG3 PRO 3 HG1 PRO 3 -12.835 -2.430 0.165
30 HD2 PRO 3 HD2 PRO 3 -11.703 -2.711 -2.593
31 HD3 PRO 3 HD1 PRO 3 -13.219 -1.935 -2.075
32 H TYR 4 HN TYR 4 -8.073 -0.051 -0.463
33 HA TYR 4 HA TYR 4 -7.030 -0.979 -3.028
34 HB2 TYR 4 HB2 TYR 4 -5.944 1.089 -1.099
35 HB3 TYR 4 HB1 TYR 4 -5.259 0.707 -2.684
36 HD1 TYR 4 HD1 TYR 4 -8.122 2.235 -0.933
37 HD2 TYR 4 HD2 TYR 4 -6.261 1.550 -4.695
38 HE1 TYR 4 HE1 TYR 4 -9.595 3.914 -1.964
39 HE2 TYR 4 HE2 TYR 4 -7.730 3.222 -5.736
40 HH TYR 4 HH TYR 4 -9.751 4.353 -5.418
41 H GLN 5 HN GLN 5 -6.342 -3.006 -2.752
42 HA GLN 5 HA GLN 5 -5.046 -3.902 -0.361
43 HB2 GLN 5 HB2 GLN 5 -6.511 -5.370 -1.654
44 HB3 GLN 5 HB1 GLN 5 -5.454 -5.225 -3.049
45 HG2 GLN 5 HG2 GLN 5 -3.670 -6.335 -1.795
46 HG3 GLN 5 HG1 GLN 5 -4.760 -6.506 -0.420
47 HE21 GLN 5 HE21 GLN 5 -6.432 -7.993 -0.508
48 HE22 GLN 5 HE22 GLN 5 -6.493 -9.234 -1.715
49 H CYS 6 HN CYS 6 -2.908 -4.269 0.004
50 HA CYS 6 HA CYS 6 -0.998 -3.067 -1.796
51 HB2 CYS 6 HB2 CYS 6 -0.802 -2.884 0.656
52 HB3 CYS 6 HB1 CYS 6 -0.640 -4.628 0.758
53 H ASP 7 HN ASP 7 -0.031 -4.127 -3.405
54 HA ASP 7 HA ASP 7 -0.875 -6.709 -4.101
55 HB2 ASP 7 HB2 ASP 7 1.243 -4.893 -5.227
56 HB3 ASP 7 HB1 ASP 7 0.862 -6.463 -5.941
57 H TYR 8 HN TYR 8 1.535 -5.938 -1.898
58 HA TYR 8 HA TYR 8 2.930 -8.489 -2.411
59 HB2 TYR 8 HB2 TYR 8 3.813 -6.220 -0.606
60 HB3 TYR 8 HB1 TYR 8 4.741 -7.664 -1.009
61 HD1 TYR 8 HD2 TYR 8 4.997 -7.976 -3.675
62 HD2 TYR 8 HD1 TYR 8 4.460 -4.277 -1.649
63 HE1 TYR 8 HE2 TYR 8 5.999 -6.801 -5.580
64 HE2 TYR 8 HE1 TYR 8 5.456 -3.081 -3.554
65 HH TYR 8 HH TYR 8 7.028 -3.593 -5.445
66 H CYS 9 HN CYS 9 1.049 -6.606 -0.241
67 HA CYS 9 HA CYS 9 1.634 -8.224 2.080
68 HB2 CYS 9 HB2 CYS 9 0.232 -5.685 1.487
69 HB3 CYS 9 HB1 CYS 9 -0.182 -6.508 2.968
70 H GLY 10 HN GLY 10 -1.044 -7.648 -0.139
71 HA2 GLY 10 HA2 GLY 10 -3.026 -8.828 -0.382
72 HA3 GLY 10 HA1 GLY 10 -2.536 -9.878 0.950
73 H ARG 11 HN ARG 11 -2.015 -6.866 2.005
74 HA ARG 11 HA ARG 11 -4.443 -6.808 3.599
75 HB2 ARG 11 HB2 ARG 11 -2.357 -6.544 4.772
76 HB3 ARG 11 HB1 ARG 11 -1.832 -5.275 3.670
77 HG2 ARG 11 HG2 ARG 11 -2.432 -4.191 5.647
78 HG3 ARG 11 HG1 ARG 11 -3.780 -3.926 4.543
79 HD2 ARG 11 HD2 ARG 11 -5.172 -5.393 5.687
80 HD3 ARG 11 HD1 ARG 11 -3.815 -6.226 6.460
81 HE ARG 11 HE ARG 11 -3.567 -3.828 7.541
82 HH11 ARG 11 HH11 ARG 11 -6.476 -5.731 7.040
83 HH12 ARG 11 HH12 ARG 11 -7.301 -5.028 8.407
84 HH21 ARG 11 HH21 ARG 11 -4.623 -2.955 9.333
85 HH22 ARG 11 HH22 ARG 11 -6.241 -3.464 9.723
86 H SER 12 HN SER 12 -6.058 -5.395 3.242
87 HA SER 12 HA SER 12 -5.740 -3.610 0.944
88 HB2 SER 12 HB2 SER 12 -7.648 -5.425 1.351
89 HB3 SER 12 HB1 SER 12 -8.392 -4.088 2.224
90 HG SER 12 HG SER 12 -8.500 -4.494 -0.325
91 H PHE 13 HN PHE 13 -5.375 -1.547 1.297
92 HA PHE 13 HA PHE 13 -6.119 -0.333 3.865
93 HB2 PHE 13 HB2 PHE 13 -4.443 0.912 1.685
94 HB3 PHE 13 HB1 PHE 13 -4.539 1.382 3.384
95 HD1 PHE 13 HD1 PHE 13 -3.499 -0.046 5.110
96 HD2 PHE 13 HD2 PHE 13 -2.922 -0.790 0.962
97 HE1 PHE 13 HE1 PHE 13 -1.577 -1.469 5.639
98 HE2 PHE 13 HE2 PHE 13 -0.981 -2.220 1.491
99 HZ PHE 13 HZ PHE 13 -0.210 -2.493 3.725
100 H SER 14 HN SER 14 -7.742 1.077 4.008
101 HA SER 14 HA SER 14 -9.410 1.428 1.701
102 HB2 SER 14 HB2 SER 14 -9.693 2.492 4.517
103 HB3 SER 14 HB1 SER 14 -10.926 2.594 3.261
104 HG SER 14 HG SER 14 -9.798 0.164 4.228
105 H ASP 15 HN ASP 15 -6.660 2.945 2.428
106 HA ASP 15 HA ASP 15 -7.678 5.569 1.504
107 HB2 ASP 15 HB2 ASP 15 -6.747 5.531 3.865
108 HB3 ASP 15 HB1 ASP 15 -5.176 5.183 3.149
109 HA PRO 16 HA PRO 16 -5.336 4.337 -2.086
110 HB2 PRO 16 HB2 PRO 16 -5.718 6.685 -3.455
111 HB3 PRO 16 HB1 PRO 16 -6.893 5.366 -3.394
112 HG2 PRO 16 HG2 PRO 16 -6.798 7.897 -1.800
113 HG3 PRO 16 HG1 PRO 16 -8.192 7.089 -2.542
114 HD2 PRO 16 HD2 PRO 16 -7.678 6.889 0.086
115 HD3 PRO 16 HD1 PRO 16 -8.353 5.528 -0.838
116 H THR 17 HN THR 17 -4.845 7.382 -0.391
117 HA THR 17 HA THR 17 -2.331 7.921 -1.686
118 HB THR 17 HB THR 17 -3.537 9.233 0.758
119 HG1 THR 17 HG1 THR 17 -4.951 9.813 -0.739
120 HG21 THR 17 HG21 THR 17 -1.427 10.222 -1.166
121 HG22 THR 17 HG22 THR 17 -1.128 9.656 0.477
122 HG23 THR 17 HG23 THR 17 -2.085 11.111 0.208
123 H SER 18 HN SER 18 -3.415 6.867 1.520
124 HA SER 18 HA SER 18 -0.791 6.683 2.569
125 HB2 SER 18 HB2 SER 18 -2.691 6.975 4.063
126 HB3 SER 18 HB1 SER 18 -3.391 5.455 3.513
127 HG SER 18 HG SER 18 -2.364 4.700 5.187
128 H LYS 19 HN LYS 19 -2.953 4.360 1.061
129 HA LYS 19 HA LYS 19 -1.237 2.141 1.396
130 HB2 LYS 19 HB2 LYS 19 -3.434 1.580 0.865
131 HB3 LYS 19 HB1 LYS 19 -3.554 2.785 -0.405
132 HG2 LYS 19 HG2 LYS 19 -1.573 0.663 -0.863
133 HG3 LYS 19 HG1 LYS 19 -3.257 0.135 -0.819
134 HD2 LYS 19 HD2 LYS 19 -3.847 1.594 -2.601
135 HD3 LYS 19 HD1 LYS 19 -2.305 2.447 -2.502
136 HE2 LYS 19 HE2 LYS 19 -1.121 0.575 -3.339
137 HE3 LYS 19 HE1 LYS 19 -2.528 -0.472 -3.175
138 HZ1 LYS 19 HZ1 LYS 19 -3.591 0.576 -4.963
139 HZ2 LYS 19 HZ2 LYS 19 -1.996 0.339 -5.482
140 HZ3 LYS 19 HZ3 LYS 19 -2.507 1.880 -4.979
141 H MET 20 HN MET 20 -1.012 4.948 -0.480
142 HA MET 20 HA MET 20 0.458 3.672 -2.660
143 HB2 MET 20 HB2 MET 20 -1.201 5.638 -2.947
144 HB3 MET 20 HB1 MET 20 0.104 6.642 -2.303
145 HG2 MET 20 HG2 MET 20 0.073 6.653 -4.740
146 HG3 MET 20 HG1 MET 20 1.567 5.965 -4.106
147 HE1 MET 20 HE1 MET 20 0.737 5.617 -7.118
148 HE2 MET 20 HE2 MET 20 1.040 3.900 -7.388
149 HE3 MET 20 HE3 MET 20 2.177 4.858 -6.441
150 H ARG 21 HN ARG 21 0.973 6.035 -0.083
151 HA ARG 21 HA ARG 21 3.759 6.305 -0.385
152 HB2 ARG 21 HB2 ARG 21 2.274 7.761 1.025
153 HB3 ARG 21 HB1 ARG 21 2.173 6.449 2.190
154 HG2 ARG 21 HG2 ARG 21 4.546 6.583 2.611
155 HG3 ARG 21 HG1 ARG 21 4.723 7.810 1.352
156 HD2 ARG 21 HD2 ARG 21 3.096 9.219 2.664
157 HD3 ARG 21 HD1 ARG 21 3.257 8.044 3.968
158 HE ARG 21 HE ARG 21 5.558 8.675 4.196
159 HH11 ARG 21 HH11 ARG 21 3.693 10.656 1.989
160 HH12 ARG 21 HH12 ARG 21 4.735 12.036 2.137
161 HH21 ARG 21 HH21 ARG 21 6.928 10.512 4.417
162 HH22 ARG 21 HH22 ARG 21 6.570 11.954 3.502
163 H HIS 22 HN HIS 22 1.742 4.033 1.362
164 HA HIS 22 HA HIS 22 3.767 2.610 2.693
165 HB2 HIS 22 HB2 HIS 22 1.444 2.399 3.340
166 HB3 HIS 22 HB1 HIS 22 1.018 1.760 1.752
167 HD1 HIS 22 HD1 HIS 22 2.822 0.752 4.943
168 HD2 HIS 22 HD2 HIS 22 1.345 -0.909 1.421
169 HE1 HIS 22 HE1 HIS 22 2.886 -1.756 5.254
170 H LEU 23 HN LEU 23 2.344 2.223 -0.537
171 HA LEU 23 HA LEU 23 3.724 -0.139 -1.231
172 HB2 LEU 23 HB2 LEU 23 2.052 1.809 -2.551
173 HB3 LEU 23 HB1 LEU 23 3.417 1.381 -3.579
174 HG LEU 23 HG LEU 23 1.447 -0.006 -4.047
175 HD11 LEU 23 HD11 LEU 23 3.708 -1.538 -2.777
176 HD12 LEU 23 HD12 LEU 23 3.665 -0.926 -4.432
177 HD13 LEU 23 HD13 LEU 23 2.536 -2.183 -3.925
178 HD21 LEU 23 HD21 LEU 23 0.439 -0.004 -1.828
179 HD22 LEU 23 HD22 LEU 23 1.772 -0.978 -1.211
180 HD23 LEU 23 HD23 LEU 23 0.673 -1.652 -2.412
181 H GLU 24 HN GLU 24 4.583 3.267 -1.449
182 HA GLU 24 HA GLU 24 7.074 2.877 -2.768
183 HB2 GLU 24 HB2 GLU 24 6.084 5.141 -1.025
184 HB3 GLU 24 HB1 GLU 24 7.565 5.187 -1.971
185 HG2 GLU 24 HG2 GLU 24 4.860 4.711 -3.186
186 HG3 GLU 24 HG1 GLU 24 5.567 6.320 -2.988
187 H THR 25 HN THR 25 6.008 2.740 0.529
188 HA THR 25 HA THR 25 8.524 2.869 1.808
189 HB THR 25 HB THR 25 6.020 1.452 2.759
190 HG1 THR 25 HG1 THR 25 5.837 3.772 2.148
191 HG21 THR 25 HG21 THR 25 8.334 2.639 4.301
192 HG22 THR 25 HG22 THR 25 8.019 0.917 4.079
193 HG23 THR 25 HG23 THR 25 6.890 1.910 5.003
194 H HIS 26 HN HIS 26 6.825 0.338 0.135
195 HA HIS 26 HA HIS 26 8.255 -1.863 1.251
196 HB2 HIS 26 HB2 HIS 26 6.380 -1.515 -1.048
197 HB3 HIS 26 HB1 HIS 26 7.364 -2.978 -0.969
198 HD1 HIS 26 HD1 HIS 26 6.767 -4.714 0.869
199 HD2 HIS 26 HD2 HIS 26 4.400 -1.286 0.935
200 HE1 HIS 26 HE1 HIS 26 4.757 -5.210 2.373
201 H ASP 27 HN ASP 27 9.364 0.557 -0.678
202 HA ASP 27 HA ASP 27 11.066 -0.982 -2.409
203 HB2 ASP 27 HB2 ASP 27 10.395 1.286 -3.048
204 HB3 ASP 27 HB1 ASP 27 11.194 1.939 -1.623
205 H THR 28 HN THR 28 12.342 1.488 -0.259
206 HA THR 28 HA THR 28 13.806 -0.484 1.315
207 HB THR 28 HB THR 28 15.929 0.889 1.004
208 HG1 THR 28 HG1 THR 28 14.516 1.782 -1.322
209 HG21 THR 28 HG21 THR 28 15.686 -1.329 0.012
210 HG22 THR 28 HG22 THR 28 16.584 -0.256 -1.063
211 HG23 THR 28 HG23 THR 28 14.891 -0.625 -1.397
212 H ASP 29 HN ASP 29 11.650 1.538 1.712
213 HA ASP 29 HA ASP 29 13.058 3.423 3.495
214 HB2 ASP 29 HB2 ASP 29 11.869 4.336 1.399
215 HB3 ASP 29 HB1 ASP 29 10.370 3.960 2.241
216 H LYS 30 HN LYS 30 11.698 0.686 3.848
217 HA LYS 30 HA LYS 30 9.515 1.224 5.636
218 HB2 LYS 30 HB2 LYS 30 9.649 -0.865 4.327
219 HB3 LYS 30 HB1 LYS 30 11.107 -1.312 5.201
220 HG2 LYS 30 HG2 LYS 30 9.543 -1.005 7.294
221 HG3 LYS 30 HG1 LYS 30 8.276 -1.302 6.104
222 HD2 LYS 30 HD2 LYS 30 8.748 -3.432 6.897
223 HD3 LYS 30 HD1 LYS 30 9.716 -3.341 5.425
224 HE2 LYS 30 HE2 LYS 30 10.722 -2.859 8.232
225 HE3 LYS 30 HE1 LYS 30 10.964 -4.332 7.297
226 HZ1 LYS 30 HZ1 LYS 30 12.171 -2.959 5.643
227 HZ2 LYS 30 HZ2 LYS 30 12.923 -3.014 7.159
228 HZ3 LYS 30 HZ3 LYS 30 12.057 -1.631 6.700
Start of MODEL 5
1 H1 MET 1 HT1 MET 1 -14.861 3.494 4.196
2 H2 MET 1 HT2 MET 1 -13.458 3.967 3.365
3 H3 MET 1 HT3 MET 1 -13.683 2.348 3.799
4 HA MET 1 HA MET 1 -15.422 2.042 2.282
5 HB2 MET 1 HB2 MET 1 -16.365 3.837 0.956
6 HB3 MET 1 HB1 MET 1 -16.475 4.259 2.657
7 HG2 MET 1 HG2 MET 1 -14.591 5.752 2.457
8 HG3 MET 1 HG1 MET 1 -14.354 5.272 0.777
9 HE1 MET 1 HE1 MET 1 -14.553 8.312 1.622
10 HE2 MET 1 HE2 MET 1 -15.635 8.939 0.378
11 HE3 MET 1 HE3 MET 1 -14.377 7.778 -0.050
12 H LYS 2 HN LYS 2 -15.154 1.706 0.017
13 HA LYS 2 HA LYS 2 -13.964 1.265 -1.878
14 HB2 LYS 2 HB2 LYS 2 -12.297 3.710 -1.279
15 HB3 LYS 2 HB1 LYS 2 -12.649 2.999 -2.846
16 HG2 LYS 2 HG2 LYS 2 -14.635 4.385 -1.056
17 HG3 LYS 2 HG1 LYS 2 -13.886 5.070 -2.496
18 HD2 LYS 2 HD2 LYS 2 -14.977 3.409 -3.887
19 HD3 LYS 2 HD1 LYS 2 -15.651 2.619 -2.458
20 HE2 LYS 2 HE2 LYS 2 -16.860 4.714 -1.928
21 HE3 LYS 2 HE1 LYS 2 -16.254 5.416 -3.424
22 HZ1 LYS 2 HZ1 LYS 2 -17.882 2.939 -3.330
23 HZ2 LYS 2 HZ2 LYS 2 -17.491 3.863 -4.698
24 HZ3 LYS 2 HZ3 LYS 2 -18.550 4.481 -3.523
25 HA PRO 3 HA PRO 3 -10.540 -0.571 0.508
26 HB2 PRO 3 HB2 PRO 3 -11.342 -3.174 -0.262
27 HB3 PRO 3 HB1 PRO 3 -11.640 -2.380 1.290
28 HG2 PRO 3 HG2 PRO 3 -13.580 -3.079 -0.577
29 HG3 PRO 3 HG1 PRO 3 -13.791 -1.920 0.745
30 HD2 PRO 3 HD2 PRO 3 -13.179 -1.416 -2.137
31 HD3 PRO 3 HD1 PRO 3 -14.242 -0.506 -1.038
32 H TYR 4 HN TYR 4 -8.628 -0.753 -0.292
33 HA TYR 4 HA TYR 4 -8.176 -2.130 -2.859
34 HB2 TYR 4 HB2 TYR 4 -6.574 0.215 -1.793
35 HB3 TYR 4 HB1 TYR 4 -6.350 -0.595 -3.349
36 HD1 TYR 4 HD2 TYR 4 -8.240 -0.417 -5.061
37 HD2 TYR 4 HD1 TYR 4 -8.022 2.031 -1.588
38 HE1 TYR 4 HE2 TYR 4 -9.773 1.193 -6.109
39 HE2 TYR 4 HE1 TYR 4 -9.562 3.647 -2.626
40 HH TYR 4 HH TYR 4 -10.325 4.312 -4.828
41 H GLN 5 HN GLN 5 -5.929 -3.094 -2.956
42 HA GLN 5 HA GLN 5 -5.121 -3.928 -0.241
43 HB2 GLN 5 HB2 GLN 5 -4.462 -6.084 -1.172
44 HB3 GLN 5 HB1 GLN 5 -6.155 -5.760 -1.517
45 HG2 GLN 5 HG2 GLN 5 -5.690 -5.264 -3.784
46 HG3 GLN 5 HG1 GLN 5 -3.953 -5.228 -3.485
47 HE21 GLN 5 HE21 GLN 5 -3.527 -6.777 -5.033
48 HE22 GLN 5 HE22 GLN 5 -3.925 -8.446 -4.816
49 H CYS 6 HN CYS 6 -2.836 -4.506 0.053
50 HA CYS 6 HA CYS 6 -1.050 -2.883 -1.587
51 HB2 CYS 6 HB2 CYS 6 -0.865 -2.994 0.901
52 HB3 CYS 6 HB1 CYS 6 -0.516 -4.704 0.762
53 H ASP 7 HN ASP 7 -0.021 -3.758 -3.325
54 HA ASP 7 HA ASP 7 -0.750 -6.351 -4.158
55 HB2 ASP 7 HB2 ASP 7 1.104 -4.279 -5.251
56 HB3 ASP 7 HB1 ASP 7 1.051 -5.888 -5.978
57 H TYR 8 HN TYR 8 1.568 -5.646 -1.896
58 HA TYR 8 HA TYR 8 3.105 -8.065 -2.609
59 HB2 TYR 8 HB2 TYR 8 3.793 -5.927 -0.575
60 HB3 TYR 8 HB1 TYR 8 4.781 -7.334 -0.971
61 HD1 TYR 8 HD2 TYR 8 4.478 -7.206 -3.997
62 HD2 TYR 8 HD1 TYR 8 5.278 -4.217 -1.080
63 HE1 TYR 8 HE2 TYR 8 5.669 -5.877 -5.692
64 HE2 TYR 8 HE1 TYR 8 6.473 -2.889 -2.749
65 HH TYR 8 HH TYR 8 6.265 -3.448 -6.057
66 H CYS 9 HN CYS 9 0.798 -6.701 -0.535
67 HA CYS 9 HA CYS 9 1.449 -8.561 1.650
68 HB2 CYS 9 HB2 CYS 9 0.217 -5.843 1.533
69 HB3 CYS 9 HB1 CYS 9 0.166 -6.803 2.980
70 H GLY 10 HN GLY 10 -1.160 -7.337 -0.368
71 HA2 GLY 10 HA2 GLY 10 -3.222 -8.313 -0.798
72 HA3 GLY 10 HA1 GLY 10 -2.868 -9.537 0.421
73 H ARG 11 HN ARG 11 -2.172 -6.941 2.105
74 HA ARG 11 HA ARG 11 -4.597 -6.981 3.574
75 HB2 ARG 11 HB2 ARG 11 -2.163 -6.450 4.377
76 HB3 ARG 11 HB1 ARG 11 -2.555 -4.801 3.878
77 HG2 ARG 11 HG2 ARG 11 -4.525 -4.864 5.364
78 HG3 ARG 11 HG1 ARG 11 -4.021 -6.461 5.907
79 HD2 ARG 11 HD2 ARG 11 -2.938 -5.353 7.520
80 HD3 ARG 11 HD1 ARG 11 -1.739 -5.032 6.260
81 HE ARG 11 HE ARG 11 -3.681 -3.027 6.121
82 HH11 ARG 11 HH11 ARG 11 -1.232 -4.172 8.350
83 HH12 ARG 11 HH12 ARG 11 -1.004 -2.616 9.099
84 HH21 ARG 11 HH21 ARG 11 -3.401 -0.997 7.094
85 HH22 ARG 11 HH22 ARG 11 -2.213 -0.789 8.352
86 H SER 12 HN SER 12 -6.203 -5.449 3.746
87 HA SER 12 HA SER 12 -6.494 -3.785 1.385
88 HB2 SER 12 HB2 SER 12 -8.476 -4.407 3.585
89 HB3 SER 12 HB1 SER 12 -8.837 -3.588 2.065
90 HG SER 12 HG SER 12 -7.805 -6.238 2.282
91 H PHE 13 HN PHE 13 -5.697 -1.797 1.468
92 HA PHE 13 HA PHE 13 -6.098 -0.171 3.884
93 HB2 PHE 13 HB2 PHE 13 -4.564 0.532 1.364
94 HB3 PHE 13 HB1 PHE 13 -4.594 1.443 2.874
95 HD1 PHE 13 HD2 PHE 13 -3.447 -1.694 1.305
96 HD2 PHE 13 HD1 PHE 13 -3.072 0.949 4.619
97 HE1 PHE 13 HE2 PHE 13 -1.429 -2.887 2.019
98 HE2 PHE 13 HE1 PHE 13 -1.033 -0.244 5.339
99 HZ PHE 13 HZ PHE 13 -0.191 -2.172 4.025
100 H SER 14 HN SER 14 -7.881 1.027 3.923
101 HA SER 14 HA SER 14 -9.374 1.436 1.466
102 HB2 SER 14 HB2 SER 14 -11.046 2.497 3.090
103 HB3 SER 14 HB1 SER 14 -10.734 0.772 3.285
104 HG SER 14 HG SER 14 -9.260 2.688 4.745
105 H ASP 15 HN ASP 15 -6.801 2.785 2.149
106 HA ASP 15 HA ASP 15 -7.665 5.500 1.486
107 HB2 ASP 15 HB2 ASP 15 -5.585 6.184 2.968
108 HB3 ASP 15 HB1 ASP 15 -7.174 5.954 3.687
109 HA PRO 16 HA PRO 16 -4.983 3.929 -1.785
110 HB2 PRO 16 HB2 PRO 16 -5.395 6.139 -3.403
111 HB3 PRO 16 HB1 PRO 16 -6.411 4.694 -3.370
112 HG2 PRO 16 HG2 PRO 16 -6.811 7.325 -2.005
113 HG3 PRO 16 HG1 PRO 16 -8.004 6.281 -2.799
114 HD2 PRO 16 HD2 PRO 16 -7.787 6.368 -0.136
115 HD3 PRO 16 HD1 PRO 16 -8.134 4.837 -0.983
116 H THR 17 HN THR 17 -4.835 7.322 -0.722
117 HA THR 17 HA THR 17 -2.344 7.904 -1.869
118 HB THR 17 HB THR 17 -3.826 9.677 -1.170
119 HG1 THR 17 HG1 THR 17 -1.481 9.997 -1.150
120 HG21 THR 17 HG21 THR 17 -3.265 8.827 1.668
121 HG22 THR 17 HG22 THR 17 -4.796 8.630 0.817
122 HG23 THR 17 HG23 THR 17 -4.191 10.246 1.176
123 H SER 18 HN SER 18 -3.180 6.808 1.388
124 HA SER 18 HA SER 18 -0.428 6.792 2.189
125 HB2 SER 18 HB2 SER 18 -1.681 5.419 4.163
126 HB3 SER 18 HB1 SER 18 -1.630 7.181 4.076
127 HG SER 18 HG SER 18 -3.734 5.427 3.622
128 H LYS 19 HN LYS 19 -2.732 4.412 1.032
129 HA LYS 19 HA LYS 19 -1.021 2.175 1.304
130 HB2 LYS 19 HB2 LYS 19 -3.019 1.329 0.679
131 HB3 LYS 19 HB1 LYS 19 -3.512 2.805 -0.120
132 HG2 LYS 19 HG2 LYS 19 -2.206 2.144 -2.101
133 HG3 LYS 19 HG1 LYS 19 -1.765 0.644 -1.282
134 HD2 LYS 19 HD2 LYS 19 -3.939 -0.181 -1.364
135 HD3 LYS 19 HD1 LYS 19 -4.639 1.417 -1.604
136 HE2 LYS 19 HE2 LYS 19 -4.799 0.177 -3.654
137 HE3 LYS 19 HE1 LYS 19 -3.631 1.479 -3.861
138 HZ1 LYS 19 HZ1 LYS 19 -1.845 -0.067 -3.664
139 HZ2 LYS 19 HZ2 LYS 19 -2.929 -0.669 -4.816
140 HZ3 LYS 19 HZ3 LYS 19 -2.895 -1.338 -3.262
141 H MET 20 HN MET 20 -0.896 4.964 -0.635
142 HA MET 20 HA MET 20 0.644 3.781 -2.796
143 HB2 MET 20 HB2 MET 20 -0.983 5.708 -3.097
144 HB3 MET 20 HB1 MET 20 0.164 6.711 -2.202
145 HG2 MET 20 HG2 MET 20 0.934 5.251 -4.705
146 HG3 MET 20 HG1 MET 20 0.219 6.861 -4.729
147 HE1 MET 20 HE1 MET 20 2.440 7.480 -6.183
148 HE2 MET 20 HE2 MET 20 3.124 5.875 -5.913
149 HE3 MET 20 HE3 MET 20 4.078 7.314 -5.551
150 H ARG 21 HN ARG 21 1.184 6.153 -0.219
151 HA ARG 21 HA ARG 21 3.986 6.263 -0.493
152 HB2 ARG 21 HB2 ARG 21 2.231 6.789 1.907
153 HB3 ARG 21 HB1 ARG 21 3.946 7.177 1.827
154 HG2 ARG 21 HG2 ARG 21 1.796 8.305 0.045
155 HG3 ARG 21 HG1 ARG 21 2.578 9.140 1.390
156 HD2 ARG 21 HD2 ARG 21 3.895 8.167 -1.146
157 HD3 ARG 21 HD1 ARG 21 3.580 9.845 -0.699
158 HE ARG 21 HE ARG 21 5.100 8.872 1.355
159 HH11 ARG 21 HH11 ARG 21 5.499 9.137 -2.113
160 HH12 ARG 21 HH12 ARG 21 7.233 9.190 -2.039
161 HH21 ARG 21 HH21 ARG 21 7.364 8.944 1.462
162 HH22 ARG 21 HH22 ARG 21 8.297 9.062 0.004
163 H HIS 22 HN HIS 22 1.833 4.087 1.163
164 HA HIS 22 HA HIS 22 3.724 2.676 2.694
165 HB2 HIS 22 HB2 HIS 22 1.348 2.442 3.106
166 HB3 HIS 22 HB1 HIS 22 1.088 1.793 1.486
167 HD1 HIS 22 HD1 HIS 22 2.695 0.826 4.789
168 HD2 HIS 22 HD2 HIS 22 1.357 -0.873 1.240
169 HE1 HIS 22 HE1 HIS 22 2.755 -1.672 5.139
170 H LEU 23 HN LEU 23 2.583 2.270 -0.637
171 HA LEU 23 HA LEU 23 4.124 -0.046 -1.197
172 HB2 LEU 23 HB2 LEU 23 2.427 1.816 -2.675
173 HB3 LEU 23 HB1 LEU 23 3.798 1.250 -3.625
174 HG LEU 23 HG LEU 23 1.776 -0.118 -3.970
175 HD11 LEU 23 HD11 LEU 23 4.048 -1.538 -2.589
176 HD12 LEU 23 HD12 LEU 23 3.955 -1.125 -4.301
177 HD13 LEU 23 HD13 LEU 23 2.837 -2.304 -3.616
178 HD21 LEU 23 HD21 LEU 23 0.750 0.075 -1.791
179 HD22 LEU 23 HD22 LEU 23 2.100 -0.782 -1.048
180 HD23 LEU 23 HD23 LEU 23 1.031 -1.627 -2.167
181 H GLU 24 HN GLU 24 4.766 3.384 -1.322
182 HA GLU 24 HA GLU 24 7.223 3.273 -2.712
183 HB2 GLU 24 HB2 GLU 24 6.247 5.244 -0.640
184 HB3 GLU 24 HB1 GLU 24 7.683 5.469 -1.627
185 HG2 GLU 24 HG2 GLU 24 4.869 5.202 -2.657
186 HG3 GLU 24 HG1 GLU 24 5.777 6.712 -2.491
187 H THR 25 HN THR 25 6.498 3.261 0.777
188 HA THR 25 HA THR 25 9.266 3.132 1.477
189 HB THR 25 HB THR 25 8.332 2.737 3.816
190 HG1 THR 25 HG1 THR 25 6.019 3.486 3.846
191 HG21 THR 25 HG21 THR 25 9.069 4.917 3.020
192 HG22 THR 25 HG22 THR 25 7.634 5.080 4.033
193 HG23 THR 25 HG23 THR 25 7.495 5.192 2.278
194 H HIS 26 HN HIS 26 7.136 0.756 0.419
195 HA HIS 26 HA HIS 26 8.121 -1.439 1.929
196 HB2 HIS 26 HB2 HIS 26 6.482 -1.115 -0.500
197 HB3 HIS 26 HB1 HIS 26 7.473 -2.573 -0.485
198 HD1 HIS 26 HD1 HIS 26 7.092 -4.161 1.754
199 HD2 HIS 26 HD2 HIS 26 4.167 -1.305 0.915
200 HE1 HIS 26 HE1 HIS 26 4.962 -4.844 3.008
201 H ASP 27 HN ASP 27 9.340 0.394 -0.739
202 HA ASP 27 HA ASP 27 11.462 -1.499 -1.313
203 HB2 ASP 27 HB2 ASP 27 10.551 -0.198 -3.169
204 HB3 ASP 27 HB1 ASP 27 10.958 1.305 -2.345
205 H THR 28 HN THR 28 11.637 1.982 -0.638
206 HA THR 28 HA THR 28 13.417 1.607 1.611
207 HB THR 28 HB THR 28 14.501 3.226 -0.694
208 HG1 THR 28 HG1 THR 28 14.356 1.131 -1.524
209 HG21 THR 28 HG21 THR 28 16.641 2.844 0.445
210 HG22 THR 28 HG22 THR 28 15.817 1.879 1.670
211 HG23 THR 28 HG23 THR 28 15.465 3.600 1.524
212 H ASP 29 HN ASP 29 13.649 3.565 2.823
213 HA ASP 29 HA ASP 29 11.565 5.510 2.368
214 HB2 ASP 29 HB2 ASP 29 12.225 4.707 4.647
215 HB3 ASP 29 HB1 ASP 29 13.763 5.535 4.450
216 H LYS 30 HN LYS 30 15.095 5.428 2.296
217 HA LYS 30 HA LYS 30 15.124 7.081 -0.004
218 HB2 LYS 30 HB2 LYS 30 16.619 8.862 0.868
219 HB3 LYS 30 HB1 LYS 30 14.988 8.943 1.506
220 HG2 LYS 30 HG2 LYS 30 16.966 7.477 3.141
221 HG3 LYS 30 HG1 LYS 30 17.175 9.225 3.011
222 HD2 LYS 30 HD2 LYS 30 14.877 9.564 3.761
223 HD3 LYS 30 HD1 LYS 30 14.654 7.816 3.870
224 HE2 LYS 30 HE2 LYS 30 16.339 7.669 5.590
225 HE3 LYS 30 HE1 LYS 30 16.693 9.392 5.429
226 HZ1 LYS 30 HZ1 LYS 30 14.031 8.333 6.202
227 HZ2 LYS 30 HZ2 LYS 30 14.562 9.945 6.274
228 HZ3 LYS 30 HZ3 LYS 30 15.215 8.788 7.329
Start of MODEL 6
1 H1 MET 1 HT1 MET 1 -16.560 2.977 1.611
2 H2 MET 1 HT2 MET 1 -15.868 2.349 0.199
3 H3 MET 1 HT3 MET 1 -14.940 2.482 1.609
4 HA MET 1 HA MET 1 -16.280 0.860 2.724
5 HB2 MET 1 HB2 MET 1 -18.394 1.333 1.563
6 HB3 MET 1 HB1 MET 1 -17.743 0.654 0.079
7 HG2 MET 1 HG2 MET 1 -17.535 -1.524 1.183
8 HG3 MET 1 HG1 MET 1 -18.240 -0.834 2.644
9 HE1 MET 1 HE1 MET 1 -20.513 -1.224 -1.355
10 HE2 MET 1 HE2 MET 1 -18.847 -1.754 -1.122
11 HE3 MET 1 HE3 MET 1 -19.238 -0.034 -1.077
12 H LYS 2 HN LYS 2 -15.586 0.556 -0.766
13 HA LYS 2 HA LYS 2 -14.260 -1.981 -0.341
14 HB2 LYS 2 HB2 LYS 2 -15.663 -1.511 -2.338
15 HB3 LYS 2 HB1 LYS 2 -14.498 -0.295 -2.839
16 HG2 LYS 2 HG2 LYS 2 -12.830 -1.929 -3.239
17 HG3 LYS 2 HG1 LYS 2 -13.790 -3.194 -2.465
18 HD2 LYS 2 HD2 LYS 2 -14.576 -1.708 -4.975
19 HD3 LYS 2 HD1 LYS 2 -13.856 -3.320 -4.937
20 HE2 LYS 2 HE2 LYS 2 -15.755 -4.163 -3.677
21 HE3 LYS 2 HE1 LYS 2 -16.458 -2.550 -3.617
22 HZ1 LYS 2 HZ1 LYS 2 -15.977 -4.090 -6.115
23 HZ2 LYS 2 HZ2 LYS 2 -16.761 -2.590 -5.989
24 HZ3 LYS 2 HZ3 LYS 2 -17.467 -3.975 -5.312
25 HA PRO 3 HA PRO 3 -10.399 0.211 0.316
26 HB2 PRO 3 HB2 PRO 3 -9.275 -2.252 1.249
27 HB3 PRO 3 HB1 PRO 3 -9.830 -0.876 2.215
28 HG2 PRO 3 HG2 PRO 3 -11.023 -3.365 2.198
29 HG3 PRO 3 HG1 PRO 3 -11.833 -1.860 2.669
30 HD2 PRO 3 HD2 PRO 3 -11.933 -3.337 0.068
31 HD3 PRO 3 HD1 PRO 3 -13.241 -2.517 0.952
32 H TYR 4 HN TYR 4 -8.006 -0.525 -0.073
33 HA TYR 4 HA TYR 4 -7.890 -1.916 -2.666
34 HB2 TYR 4 HB2 TYR 4 -6.307 0.541 -1.872
35 HB3 TYR 4 HB1 TYR 4 -6.220 -0.307 -3.425
36 HD1 TYR 4 HD2 TYR 4 -8.313 -0.367 -4.872
37 HD2 TYR 4 HD1 TYR 4 -7.914 2.218 -1.515
38 HE1 TYR 4 HE2 TYR 4 -10.157 1.018 -5.728
39 HE2 TYR 4 HE1 TYR 4 -9.766 3.604 -2.360
40 HH TYR 4 HH TYR 4 -11.878 2.599 -4.752
41 H GLN 5 HN GLN 5 -6.318 -3.368 -2.918
42 HA GLN 5 HA GLN 5 -5.062 -4.299 -0.486
43 HB2 GLN 5 HB2 GLN 5 -6.228 -5.875 -1.881
44 HB3 GLN 5 HB1 GLN 5 -5.280 -5.408 -3.283
45 HG2 GLN 5 HG2 GLN 5 -3.301 -6.380 -2.317
46 HG3 GLN 5 HG1 GLN 5 -4.177 -6.753 -0.833
47 HE21 GLN 5 HE21 GLN 5 -6.600 -7.540 -2.247
48 HE22 GLN 5 HE22 GLN 5 -6.271 -9.093 -2.935
49 H CYS 6 HN CYS 6 -2.836 -4.451 -0.045
50 HA CYS 6 HA CYS 6 -1.076 -2.787 -1.620
51 HB2 CYS 6 HB2 CYS 6 -1.000 -3.127 0.896
52 HB3 CYS 6 HB1 CYS 6 -0.393 -4.730 0.565
53 H ASP 7 HN ASP 7 0.427 -3.481 -3.072
54 HA ASP 7 HA ASP 7 -0.298 -5.655 -4.629
55 HB2 ASP 7 HB2 ASP 7 0.947 -3.642 -5.410
56 HB3 ASP 7 HB1 ASP 7 2.399 -4.284 -4.637
57 H TYR 8 HN TYR 8 1.915 -5.620 -1.917
58 HA TYR 8 HA TYR 8 2.901 -8.269 -2.768
59 HB2 TYR 8 HB2 TYR 8 4.253 -6.659 -0.631
60 HB3 TYR 8 HB1 TYR 8 4.931 -7.899 -1.684
61 HD1 TYR 8 HD2 TYR 8 5.007 -7.241 -4.256
62 HD2 TYR 8 HD1 TYR 8 4.724 -4.467 -1.043
63 HE1 TYR 8 HE2 TYR 8 5.894 -5.468 -5.713
64 HE2 TYR 8 HE1 TYR 8 5.606 -2.690 -2.484
65 HH TYR 8 HH TYR 8 5.799 -2.972 -5.829
66 H CYS 9 HN CYS 9 0.756 -6.809 -0.713
67 HA CYS 9 HA CYS 9 1.493 -8.497 1.584
68 HB2 CYS 9 HB2 CYS 9 0.209 -5.817 1.354
69 HB3 CYS 9 HB1 CYS 9 0.243 -6.690 2.856
70 H GLY 10 HN GLY 10 -1.254 -7.449 -0.375
71 HA2 GLY 10 HA2 GLY 10 -3.294 -8.559 -0.590
72 HA3 GLY 10 HA1 GLY 10 -2.834 -9.614 0.748
73 H ARG 11 HN ARG 11 -2.096 -7.062 2.263
74 HA ARG 11 HA ARG 11 -4.465 -6.801 3.741
75 HB2 ARG 11 HB2 ARG 11 -2.307 -6.403 4.766
76 HB3 ARG 11 HB1 ARG 11 -1.975 -5.085 3.639
77 HG2 ARG 11 HG2 ARG 11 -3.722 -3.761 4.604
78 HG3 ARG 11 HG1 ARG 11 -4.205 -5.089 5.660
79 HD2 ARG 11 HD2 ARG 11 -2.012 -5.017 6.742
80 HD3 ARG 11 HD1 ARG 11 -1.544 -3.667 5.700
81 HE ARG 11 HE ARG 11 -3.492 -2.462 6.798
82 HH11 ARG 11 HH11 ARG 11 -1.642 -4.966 8.392
83 HH12 ARG 11 HH12 ARG 11 -1.995 -4.390 9.995
84 HH21 ARG 11 HH21 ARG 11 -3.925 -1.663 8.894
85 HH22 ARG 11 HH22 ARG 11 -3.284 -2.489 10.283
86 H SER 12 HN SER 12 -6.052 -5.319 3.717
87 HA SER 12 HA SER 12 -6.286 -3.737 1.275
88 HB2 SER 12 HB2 SER 12 -8.399 -4.306 3.362
89 HB3 SER 12 HB1 SER 12 -8.650 -3.724 1.717
90 HG SER 12 HG SER 12 -8.021 -5.711 0.918
91 H PHE 13 HN PHE 13 -5.558 -1.702 1.420
92 HA PHE 13 HA PHE 13 -6.009 -0.176 3.879
93 HB2 PHE 13 HB2 PHE 13 -4.501 0.609 1.377
94 HB3 PHE 13 HB1 PHE 13 -4.541 1.502 2.898
95 HD1 PHE 13 HD2 PHE 13 -3.315 -1.549 1.246
96 HD2 PHE 13 HD1 PHE 13 -3.116 0.921 4.702
97 HE1 PHE 13 HE2 PHE 13 -1.313 -2.759 1.988
98 HE2 PHE 13 HE1 PHE 13 -1.102 -0.284 5.451
99 HZ PHE 13 HZ PHE 13 -0.184 -2.127 4.083
100 H SER 14 HN SER 14 -7.706 1.123 4.023
101 HA SER 14 HA SER 14 -9.456 1.370 1.745
102 HB2 SER 14 HB2 SER 14 -9.768 2.461 4.551
103 HB3 SER 14 HB1 SER 14 -11.035 2.346 3.328
104 HG SER 14 HG SER 14 -10.592 0.566 5.074
105 H ASP 15 HN ASP 15 -6.767 2.891 2.302
106 HA ASP 15 HA ASP 15 -7.788 5.430 1.230
107 HB2 ASP 15 HB2 ASP 15 -7.212 5.777 3.615
108 HB3 ASP 15 HB1 ASP 15 -5.578 5.208 3.286
109 HA PRO 16 HA PRO 16 -4.974 3.846 -1.856
110 HB2 PRO 16 HB2 PRO 16 -5.460 5.820 -3.683
111 HB3 PRO 16 HB1 PRO 16 -6.512 4.422 -3.440
112 HG2 PRO 16 HG2 PRO 16 -6.787 7.209 -2.381
113 HG3 PRO 16 HG1 PRO 16 -8.032 6.138 -3.054
114 HD2 PRO 16 HD2 PRO 16 -7.732 6.493 -0.400
115 HD3 PRO 16 HD1 PRO 16 -8.232 4.931 -1.091
116 H THR 17 HN THR 17 -4.933 7.069 -0.519
117 HA THR 17 HA THR 17 -2.541 7.906 -1.851
118 HB THR 17 HB THR 17 -3.813 9.145 0.591
119 HG1 THR 17 HG1 THR 17 -4.459 9.282 -2.167
120 HG21 THR 17 HG21 THR 17 -1.571 9.980 0.028
121 HG22 THR 17 HG22 THR 17 -2.804 11.208 -0.258
122 HG23 THR 17 HG23 THR 17 -2.113 10.317 -1.615
123 H SER 18 HN SER 18 -3.344 6.868 1.470
124 HA SER 18 HA SER 18 -0.595 7.021 2.264
125 HB2 SER 18 HB2 SER 18 -1.436 5.865 4.361
126 HB3 SER 18 HB1 SER 18 -2.197 7.412 3.989
127 HG SER 18 HG SER 18 -3.962 6.292 3.127
128 H LYS 19 HN LYS 19 -2.742 4.481 1.128
129 HA LYS 19 HA LYS 19 -0.937 2.355 1.499
130 HB2 LYS 19 HB2 LYS 19 -3.032 1.592 1.008
131 HB3 LYS 19 HB1 LYS 19 -3.379 2.895 -0.107
132 HG2 LYS 19 HG2 LYS 19 -1.766 1.774 -1.697
133 HG3 LYS 19 HG1 LYS 19 -1.813 0.392 -0.599
134 HD2 LYS 19 HD2 LYS 19 -4.252 0.304 -0.845
135 HD3 LYS 19 HD1 LYS 19 -4.171 1.654 -1.982
136 HE2 LYS 19 HE2 LYS 19 -2.712 -0.931 -2.342
137 HE3 LYS 19 HE1 LYS 19 -4.307 -0.609 -3.013
138 HZ1 LYS 19 HZ1 LYS 19 -3.382 1.208 -4.286
139 HZ2 LYS 19 HZ2 LYS 19 -2.533 -0.222 -4.624
140 HZ3 LYS 19 HZ3 LYS 19 -1.848 0.950 -3.610
141 H MET 20 HN MET 20 -0.928 5.076 -0.543
142 HA MET 20 HA MET 20 0.567 3.862 -2.701
143 HB2 MET 20 HB2 MET 20 -1.003 5.871 -2.914
144 HB3 MET 20 HB1 MET 20 0.284 6.817 -2.166
145 HG2 MET 20 HG2 MET 20 0.415 7.065 -4.543
146 HG3 MET 20 HG1 MET 20 1.802 6.131 -3.984
147 HE1 MET 20 HE1 MET 20 -1.923 4.930 -4.452
148 HE2 MET 20 HE2 MET 20 -1.869 4.300 -6.099
149 HE3 MET 20 HE3 MET 20 -1.663 6.027 -5.810
150 H ARG 21 HN ARG 21 1.228 6.228 -0.141
151 HA ARG 21 HA ARG 21 4.022 6.276 -0.485
152 HB2 ARG 21 HB2 ARG 21 2.339 6.803 1.967
153 HB3 ARG 21 HB1 ARG 21 4.058 7.161 1.849
154 HG2 ARG 21 HG2 ARG 21 1.903 8.345 0.111
155 HG3 ARG 21 HG1 ARG 21 2.676 9.147 1.482
156 HD2 ARG 21 HD2 ARG 21 4.819 9.074 0.365
157 HD3 ARG 21 HD1 ARG 21 4.132 8.142 -0.964
158 HE ARG 21 HE ARG 21 3.241 10.071 -1.837
159 HH11 ARG 21 HH11 ARG 21 4.480 10.696 1.383
160 HH12 ARG 21 HH12 ARG 21 4.275 12.417 1.259
161 HH21 ARG 21 HH21 ARG 21 2.980 12.315 -2.003
162 HH22 ARG 21 HH22 ARG 21 3.425 13.340 -0.663
163 H HIS 22 HN HIS 22 1.866 4.189 1.315
164 HA HIS 22 HA HIS 22 3.763 2.694 2.739
165 HB2 HIS 22 HB2 HIS 22 1.407 2.528 3.259
166 HB3 HIS 22 HB1 HIS 22 1.045 1.922 1.642
167 HD1 HIS 22 HD1 HIS 22 2.714 0.856 4.862
168 HD2 HIS 22 HD2 HIS 22 1.271 -0.745 1.306
169 HE1 HIS 22 HE1 HIS 22 2.736 -1.655 5.157
170 H LEU 23 HN LEU 23 2.402 2.264 -0.509
171 HA LEU 23 HA LEU 23 3.718 -0.118 -1.186
172 HB2 LEU 23 HB2 LEU 23 2.000 1.695 -2.437
173 HB3 LEU 23 HB1 LEU 23 3.460 1.745 -3.417
174 HG LEU 23 HG LEU 23 1.859 0.155 -4.321
175 HD11 LEU 23 HD11 LEU 23 3.298 -1.814 -4.444
176 HD12 LEU 23 HD12 LEU 23 4.249 -1.205 -3.091
177 HD13 LEU 23 HD13 LEU 23 4.223 -0.322 -4.617
178 HD21 LEU 23 HD21 LEU 23 1.238 -1.860 -3.099
179 HD22 LEU 23 HD22 LEU 23 0.695 -0.412 -2.252
180 HD23 LEU 23 HD23 LEU 23 2.119 -1.282 -1.683
181 H GLU 24 HN GLU 24 4.666 3.264 -1.488
182 HA GLU 24 HA GLU 24 7.169 2.841 -2.729
183 HB2 GLU 24 HB2 GLU 24 6.291 5.106 -0.931
184 HB3 GLU 24 HB1 GLU 24 7.670 5.131 -2.019
185 HG2 GLU 24 HG2 GLU 24 4.839 4.732 -2.943
186 HG3 GLU 24 HG1 GLU 24 5.626 6.312 -2.840
187 H THR 25 HN THR 25 6.127 2.861 0.622
188 HA THR 25 HA THR 25 8.692 2.999 1.810
189 HB THR 25 HB THR 25 6.143 1.837 2.962
190 HG1 THR 25 HG1 THR 25 6.117 4.112 2.217
191 HG21 THR 25 HG21 THR 25 8.628 2.883 4.323
192 HG22 THR 25 HG22 THR 25 8.117 1.196 4.250
193 HG23 THR 25 HG23 THR 25 7.148 2.373 5.136
194 H HIS 26 HN HIS 26 6.847 0.376 0.454
195 HA HIS 26 HA HIS 26 8.326 -1.736 1.647
196 HB2 HIS 26 HB2 HIS 26 6.518 -1.540 -0.740
197 HB3 HIS 26 HB1 HIS 26 7.464 -3.006 -0.462
198 HD1 HIS 26 HD1 HIS 26 6.993 -4.213 1.939
199 HD2 HIS 26 HD2 HIS 26 4.191 -1.405 0.666
200 HE1 HIS 26 HE1 HIS 26 4.882 -4.592 3.313
201 H ASP 27 HN ASP 27 8.900 0.411 -0.996
202 HA ASP 27 HA ASP 27 11.036 -1.184 -2.112
203 HB2 ASP 27 HB2 ASP 27 9.506 1.066 -2.964
204 HB3 ASP 27 HB1 ASP 27 11.209 1.513 -2.996
205 H THR 28 HN THR 28 10.654 0.979 0.455
206 HA THR 28 HA THR 28 13.247 2.152 0.507
207 HB THR 28 HB THR 28 11.455 1.676 2.896
208 HG1 THR 28 HG1 THR 28 11.225 3.453 0.718
209 HG21 THR 28 HG21 THR 28 13.466 3.839 2.251
210 HG22 THR 28 HG22 THR 28 13.684 2.534 3.417
211 HG23 THR 28 HG23 THR 28 12.462 3.775 3.700
212 H ASP 29 HN ASP 29 12.058 -0.950 1.194
213 HA ASP 29 HA ASP 29 13.942 -1.850 3.101
214 HB2 ASP 29 HB2 ASP 29 11.904 -3.104 2.680
215 HB3 ASP 29 HB1 ASP 29 12.362 -3.349 0.999
216 H LYS 30 HN LYS 30 14.142 -1.175 -0.263
217 HA LYS 30 HA LYS 30 16.573 -2.768 -0.578
218 HB2 LYS 30 HB2 LYS 30 15.180 -1.111 -2.686
219 HB3 LYS 30 HB1 LYS 30 16.378 -2.374 -2.936
220 HG2 LYS 30 HG2 LYS 30 13.539 -2.706 -2.000
221 HG3 LYS 30 HG1 LYS 30 14.246 -3.252 -3.522
222 HD2 LYS 30 HD2 LYS 30 15.628 -4.842 -2.366
223 HD3 LYS 30 HD1 LYS 30 15.102 -4.222 -0.800
224 HE2 LYS 30 HE2 LYS 30 12.745 -4.857 -1.532
225 HE3 LYS 30 HE1 LYS 30 13.519 -5.772 -2.827
226 HZ1 LYS 30 HZ1 LYS 30 14.780 -6.979 -1.109
227 HZ2 LYS 30 HZ2 LYS 30 13.106 -7.208 -0.975
228 HZ3 LYS 30 HZ3 LYS 30 13.904 -6.154 0.091
Start of MODEL 7
1 H1 MET 1 HT1 MET 1 -16.946 2.645 -1.902
2 H2 MET 1 HT2 MET 1 -17.651 3.023 -0.406
3 H3 MET 1 HT3 MET 1 -17.702 1.433 -0.991
4 HA MET 1 HA MET 1 -15.271 2.922 -0.198
5 HB2 MET 1 HB2 MET 1 -16.621 2.236 1.719
6 HB3 MET 1 HB1 MET 1 -16.714 0.597 1.091
7 HG2 MET 1 HG2 MET 1 -14.249 0.424 1.319
8 HG3 MET 1 HG1 MET 1 -14.251 2.014 2.081
9 HE1 MET 1 HE1 MET 1 -12.984 -0.588 3.433
10 HE2 MET 1 HE2 MET 1 -13.554 -0.402 5.092
11 HE3 MET 1 HE3 MET 1 -12.985 1.004 4.192
12 H LYS 2 HN LYS 2 -13.935 2.432 -1.868
13 HA LYS 2 HA LYS 2 -13.675 -0.387 -2.645
14 HB2 LYS 2 HB2 LYS 2 -13.916 1.257 -4.462
15 HB3 LYS 2 HB1 LYS 2 -12.497 2.115 -3.883
16 HG2 LYS 2 HG2 LYS 2 -11.957 0.764 -5.816
17 HG3 LYS 2 HG1 LYS 2 -11.111 0.165 -4.391
18 HD2 LYS 2 HD2 LYS 2 -11.975 -1.700 -5.662
19 HD3 LYS 2 HD1 LYS 2 -12.840 -1.577 -4.131
20 HE2 LYS 2 HE2 LYS 2 -14.700 -0.469 -5.268
21 HE3 LYS 2 HE1 LYS 2 -13.831 -0.572 -6.798
22 HZ1 LYS 2 HZ1 LYS 2 -14.759 -2.870 -5.157
23 HZ2 LYS 2 HZ2 LYS 2 -13.873 -2.995 -6.599
24 HZ3 LYS 2 HZ3 LYS 2 -15.440 -2.347 -6.622
25 HA PRO 3 HA PRO 3 -10.021 -0.353 -0.070
26 HB2 PRO 3 HB2 PRO 3 -9.816 -3.177 -0.349
27 HB3 PRO 3 HB1 PRO 3 -10.510 -2.276 1.007
28 HG2 PRO 3 HG2 PRO 3 -11.937 -3.904 -0.716
29 HG3 PRO 3 HG1 PRO 3 -12.633 -2.624 0.292
30 HD2 PRO 3 HD2 PRO 3 -11.871 -2.554 -2.605
31 HD3 PRO 3 HD1 PRO 3 -13.304 -1.865 -1.801
32 H TYR 4 HN TYR 4 -8.058 -0.027 -0.673
33 HA TYR 4 HA TYR 4 -7.111 -1.026 -3.256
34 HB2 TYR 4 HB2 TYR 4 -6.084 1.209 -1.486
35 HB3 TYR 4 HB1 TYR 4 -5.335 0.710 -3.009
36 HD1 TYR 4 HD1 TYR 4 -8.440 2.121 -1.544
37 HD2 TYR 4 HD2 TYR 4 -6.156 1.487 -5.073
38 HE1 TYR 4 HE1 TYR 4 -9.923 3.655 -2.770
39 HE2 TYR 4 HE2 TYR 4 -7.633 3.012 -6.311
40 HH TYR 4 HH TYR 4 -9.597 4.122 -6.259
41 H GLN 5 HN GLN 5 -6.138 -2.901 -3.075
42 HA GLN 5 HA GLN 5 -4.963 -3.717 -0.570
43 HB2 GLN 5 HB2 GLN 5 -5.279 -5.181 -3.194
44 HB3 GLN 5 HB1 GLN 5 -4.664 -5.895 -1.708
45 HG2 GLN 5 HG2 GLN 5 -6.805 -5.402 -0.609
46 HG3 GLN 5 HG1 GLN 5 -7.415 -4.754 -2.130
47 HE21 GLN 5 HE21 GLN 5 -5.313 -7.535 -1.957
48 HE22 GLN 5 HE22 GLN 5 -6.501 -8.698 -2.435
49 H CYS 6 HN CYS 6 -2.870 -4.413 -0.251
50 HA CYS 6 HA CYS 6 -0.875 -3.315 -2.102
51 HB2 CYS 6 HB2 CYS 6 -0.724 -2.688 0.270
52 HB3 CYS 6 HB1 CYS 6 -0.656 -4.380 0.713
53 H ASP 7 HN ASP 7 -0.210 -4.754 -3.605
54 HA ASP 7 HA ASP 7 -0.736 -7.517 -3.391
55 HB2 ASP 7 HB2 ASP 7 0.812 -5.872 -5.364
56 HB3 ASP 7 HB1 ASP 7 0.808 -7.640 -5.461
57 H TYR 8 HN TYR 8 1.573 -5.883 -1.746
58 HA TYR 8 HA TYR 8 3.459 -8.151 -1.795
59 HB2 TYR 8 HB2 TYR 8 3.850 -5.494 -0.406
60 HB3 TYR 8 HB1 TYR 8 5.068 -6.735 -0.704
61 HD1 TYR 8 HD2 TYR 8 5.382 -7.291 -3.307
62 HD2 TYR 8 HD1 TYR 8 3.858 -3.649 -1.733
63 HE1 TYR 8 HE2 TYR 8 6.025 -6.133 -5.376
64 HE2 TYR 8 HE1 TYR 8 4.494 -2.482 -3.790
65 HH TYR 8 HH TYR 8 6.139 -2.770 -5.655
66 H CYS 9 HN CYS 9 1.003 -6.576 -0.093
67 HA CYS 9 HA CYS 9 1.753 -7.747 2.491
68 HB2 CYS 9 HB2 CYS 9 0.168 -5.416 1.588
69 HB3 CYS 9 HB1 CYS 9 -0.294 -6.160 3.093
70 H GLY 10 HN GLY 10 -0.771 -7.671 0.057
71 HA2 GLY 10 HA2 GLY 10 -2.628 -9.010 -0.233
72 HA3 GLY 10 HA1 GLY 10 -2.121 -9.949 1.181
73 H ARG 11 HN ARG 11 -2.244 -6.580 1.666
74 HA ARG 11 HA ARG 11 -4.638 -6.951 3.318
75 HB2 ARG 11 HB2 ARG 11 -2.638 -6.412 4.606
76 HB3 ARG 11 HB1 ARG 11 -2.338 -5.002 3.588
77 HG2 ARG 11 HG2 ARG 11 -4.495 -4.069 4.334
78 HG3 ARG 11 HG1 ARG 11 -4.660 -5.419 5.453
79 HD2 ARG 11 HD2 ARG 11 -2.678 -4.726 6.649
80 HD3 ARG 11 HD1 ARG 11 -2.375 -3.447 5.461
81 HE ARG 11 HE ARG 11 -4.926 -3.382 6.871
82 HH11 ARG 11 HH11 ARG 11 -1.653 -2.125 6.676
83 HH12 ARG 11 HH12 ARG 11 -2.067 -0.628 7.452
84 HH21 ARG 11 HH21 ARG 11 -5.457 -1.436 7.851
85 HH22 ARG 11 HH22 ARG 11 -4.238 -0.219 8.092
86 H SER 12 HN SER 12 -6.321 -5.537 3.162
87 HA SER 12 HA SER 12 -6.336 -3.763 0.846
88 HB2 SER 12 HB2 SER 12 -8.605 -4.465 2.722
89 HB3 SER 12 HB1 SER 12 -8.734 -3.725 1.126
90 HG SER 12 HG SER 12 -7.676 -6.315 1.639
91 H PHE 13 HN PHE 13 -5.696 -1.723 1.150
92 HA PHE 13 HA PHE 13 -6.158 -0.407 3.725
93 HB2 PHE 13 HB2 PHE 13 -4.707 0.628 1.280
94 HB3 PHE 13 HB1 PHE 13 -4.707 1.348 2.891
95 HD1 PHE 13 HD2 PHE 13 -3.728 -1.786 1.101
96 HD2 PHE 13 HD1 PHE 13 -2.979 0.864 4.347
97 HE1 PHE 13 HE2 PHE 13 -1.715 -3.077 1.694
98 HE2 PHE 13 HE1 PHE 13 -0.975 -0.422 4.940
99 HZ PHE 13 HZ PHE 13 -0.269 -2.364 3.511
100 H SER 14 HN SER 14 -7.666 1.161 3.982
101 HA SER 14 HA SER 14 -9.499 1.517 1.747
102 HB2 SER 14 HB2 SER 14 -10.286 0.927 4.084
103 HB3 SER 14 HB1 SER 14 -9.824 2.559 4.568
104 HG SER 14 HG SER 14 -11.694 3.153 3.845
105 H ASP 15 HN ASP 15 -6.746 2.896 2.527
106 HA ASP 15 HA ASP 15 -7.666 5.592 1.751
107 HB2 ASP 15 HB2 ASP 15 -6.820 5.453 4.124
108 HB3 ASP 15 HB1 ASP 15 -5.245 5.020 3.465
109 HA PRO 16 HA PRO 16 -5.319 4.244 -1.809
110 HB2 PRO 16 HB2 PRO 16 -5.959 6.985 -2.721
111 HB3 PRO 16 HB1 PRO 16 -6.286 5.433 -3.498
112 HG2 PRO 16 HG2 PRO 16 -8.250 6.844 -2.371
113 HG3 PRO 16 HG1 PRO 16 -8.214 5.073 -2.278
114 HD2 PRO 16 HD2 PRO 16 -7.480 7.096 -0.198
115 HD3 PRO 16 HD1 PRO 16 -8.353 5.555 -0.018
116 H THR 17 HN THR 17 -4.933 7.496 -0.418
117 HA THR 17 HA THR 17 -2.436 7.988 -1.671
118 HB THR 17 HB THR 17 -3.646 9.329 0.757
119 HG1 THR 17 HG1 THR 17 -3.970 9.649 -2.038
120 HG21 THR 17 HG21 THR 17 -1.525 10.293 -1.167
121 HG22 THR 17 HG22 THR 17 -1.246 9.783 0.498
122 HG23 THR 17 HG23 THR 17 -2.215 11.220 0.165
123 H SER 18 HN SER 18 -3.345 6.905 1.600
124 HA SER 18 HA SER 18 -0.622 6.851 2.461
125 HB2 SER 18 HB2 SER 18 -2.977 5.478 3.770
126 HB3 SER 18 HB1 SER 18 -1.453 5.933 4.535
127 HG SER 18 HG SER 18 -3.460 7.667 3.499
128 H LYS 19 HN LYS 19 -2.853 4.496 1.149
129 HA LYS 19 HA LYS 19 -1.154 2.262 1.494
130 HB2 LYS 19 HB2 LYS 19 -3.328 1.638 1.018
131 HB3 LYS 19 HB1 LYS 19 -3.558 2.902 -0.171
132 HG2 LYS 19 HG2 LYS 19 -1.665 0.689 -0.782
133 HG3 LYS 19 HG1 LYS 19 -3.400 0.379 -0.853
134 HD2 LYS 19 HD2 LYS 19 -3.662 2.243 -2.421
135 HD3 LYS 19 HD1 LYS 19 -1.923 2.538 -2.359
136 HE2 LYS 19 HE2 LYS 19 -1.532 0.275 -3.223
137 HE3 LYS 19 HE1 LYS 19 -3.273 0.026 -3.327
138 HZ1 LYS 19 HZ1 LYS 19 -1.627 1.948 -4.878
139 HZ2 LYS 19 HZ2 LYS 19 -3.321 1.997 -4.843
140 HZ3 LYS 19 HZ3 LYS 19 -2.527 0.636 -5.470
141 H MET 20 HN MET 20 -1.015 5.010 -0.481
142 HA MET 20 HA MET 20 0.389 3.740 -2.688
143 HB2 MET 20 HB2 MET 20 -1.173 5.896 -2.666
144 HB3 MET 20 HB1 MET 20 0.350 6.707 -2.303
145 HG2 MET 20 HG2 MET 20 -0.188 4.980 -4.707
146 HG3 MET 20 HG1 MET 20 -0.192 6.739 -4.682
147 HE1 MET 20 HE1 MET 20 3.563 7.544 -3.937
148 HE2 MET 20 HE2 MET 20 2.256 7.372 -2.765
149 HE3 MET 20 HE3 MET 20 1.970 8.216 -4.286
150 H ARG 21 HN ARG 21 1.127 6.226 -0.276
151 HA ARG 21 HA ARG 21 3.905 6.257 -0.581
152 HB2 ARG 21 HB2 ARG 21 2.268 6.729 1.922
153 HB3 ARG 21 HB1 ARG 21 3.962 7.164 1.728
154 HG2 ARG 21 HG2 ARG 21 1.678 8.263 0.095
155 HG3 ARG 21 HG1 ARG 21 2.476 9.089 1.435
156 HD2 ARG 21 HD2 ARG 21 4.543 9.176 0.235
157 HD3 ARG 21 HD1 ARG 21 3.903 8.140 -1.039
158 HE ARG 21 HE ARG 21 2.460 10.613 -0.633
159 HH11 ARG 21 HH11 ARG 21 5.124 9.074 -2.311
160 HH12 ARG 21 HH12 ARG 21 5.033 10.126 -3.694
161 HH21 ARG 21 HH21 ARG 21 2.354 12.015 -2.435
162 HH22 ARG 21 HH22 ARG 21 3.473 11.821 -3.748
163 H HIS 22 HN HIS 22 1.804 4.161 1.283
164 HA HIS 22 HA HIS 22 3.767 2.726 2.682
165 HB2 HIS 22 HB2 HIS 22 1.443 2.564 3.317
166 HB3 HIS 22 HB1 HIS 22 1.013 1.916 1.733
167 HD1 HIS 22 HD1 HIS 22 2.679 0.917 4.972
168 HD2 HIS 22 HD2 HIS 22 1.391 -0.771 1.398
169 HE1 HIS 22 HE1 HIS 22 2.765 -1.586 5.299
170 H LEU 23 HN LEU 23 2.307 2.151 -0.517
171 HA LEU 23 HA LEU 23 3.675 -0.246 -1.070
172 HB2 LEU 23 HB2 LEU 23 2.063 1.669 -2.554
173 HB3 LEU 23 HB1 LEU 23 3.377 1.023 -3.528
174 HG LEU 23 HG LEU 23 2.594 -1.274 -2.982
175 HD11 LEU 23 HD11 LEU 23 0.226 0.142 -1.772
176 HD12 LEU 23 HD12 LEU 23 1.459 -0.749 -0.878
177 HD13 LEU 23 HD13 LEU 23 0.400 -1.600 -2.003
178 HD21 LEU 23 HD21 LEU 23 1.946 -0.205 -5.066
179 HD22 LEU 23 HD22 LEU 23 0.555 0.536 -4.273
180 HD23 LEU 23 HD23 LEU 23 0.637 -1.216 -4.451
181 H GLU 24 HN GLU 24 4.515 3.133 -1.599
182 HA GLU 24 HA GLU 24 6.937 2.710 -2.957
183 HB2 GLU 24 HB2 GLU 24 5.445 4.875 -2.313
184 HB3 GLU 24 HB1 GLU 24 6.741 5.029 -1.135
185 HG2 GLU 24 HG2 GLU 24 7.369 6.297 -3.001
186 HG3 GLU 24 HG1 GLU 24 8.356 4.832 -3.038
187 H THR 25 HN THR 25 6.049 2.574 0.401
188 HA THR 25 HA THR 25 8.687 2.735 1.479
189 HB THR 25 HB THR 25 6.246 1.507 2.782
190 HG1 THR 25 HG1 THR 25 6.030 3.758 1.941
191 HG21 THR 25 HG21 THR 25 8.731 2.783 3.939
192 HG22 THR 25 HG22 THR 25 8.329 1.066 3.976
193 HG23 THR 25 HG23 THR 25 7.343 2.223 4.872
194 H HIS 26 HN HIS 26 6.897 0.258 -0.080
195 HA HIS 26 HA HIS 26 8.373 -1.944 1.025
196 HB2 HIS 26 HB2 HIS 26 6.492 -1.643 -1.299
197 HB3 HIS 26 HB1 HIS 26 7.443 -3.116 -1.111
198 HD1 HIS 26 HD1 HIS 26 6.599 -4.834 0.573
199 HD2 HIS 26 HD2 HIS 26 4.616 -1.177 0.837
200 HE1 HIS 26 HE1 HIS 26 4.584 -5.176 2.100
201 H ASP 27 HN ASP 27 8.891 0.407 -1.417
202 HA ASP 27 HA ASP 27 11.085 -1.035 -2.653
203 HB2 ASP 27 HB2 ASP 27 9.710 0.483 -4.030
204 HB3 ASP 27 HB1 ASP 27 10.181 1.837 -3.005
205 H THR 28 HN THR 28 10.628 1.883 -0.689
206 HA THR 28 HA THR 28 13.240 1.344 0.525
207 HB THR 28 HB THR 28 13.676 3.164 -0.983
208 HG1 THR 28 HG1 THR 28 14.333 3.232 1.383
209 HG21 THR 28 HG21 THR 28 11.374 4.625 0.315
210 HG22 THR 28 HG22 THR 28 11.397 3.981 -1.326
211 HG23 THR 28 HG23 THR 28 12.480 5.300 -0.881
212 H ASP 29 HN ASP 29 12.769 0.747 2.506
213 HA ASP 29 HA ASP 29 10.381 1.672 3.840
214 HB2 ASP 29 HB2 ASP 29 11.045 -0.659 4.080
215 HB3 ASP 29 HB1 ASP 29 12.597 -0.179 4.757
216 H LYS 30 HN LYS 30 13.873 1.836 4.464
217 HA LYS 30 HA LYS 30 13.405 4.408 5.799
218 HB2 LYS 30 HB2 LYS 30 15.300 2.243 6.732
219 HB3 LYS 30 HB1 LYS 30 15.296 3.889 7.349
220 HG2 LYS 30 HG2 LYS 30 12.895 3.509 8.012
221 HG3 LYS 30 HG1 LYS 30 13.148 1.808 7.629
222 HD2 LYS 30 HD2 LYS 30 14.961 1.709 9.271
223 HD3 LYS 30 HD1 LYS 30 14.712 3.414 9.647
224 HE2 LYS 30 HE2 LYS 30 12.760 1.158 10.085
225 HE3 LYS 30 HE1 LYS 30 13.623 2.069 11.324
226 HZ1 LYS 30 HZ1 LYS 30 11.553 3.130 9.470
227 HZ2 LYS 30 HZ2 LYS 30 12.432 4.074 10.574
228 HZ3 LYS 30 HZ3 LYS 30 11.377 2.873 11.137
Start of MODEL 8
1 H1 MET 1 HT1 MET 1 -13.535 0.990 4.392
2 H2 MET 1 HT2 MET 1 -14.760 1.856 5.181
3 H3 MET 1 HT3 MET 1 -13.443 2.680 4.503
4 HA MET 1 HA MET 1 -15.484 1.143 3.006
5 HB2 MET 1 HB2 MET 1 -16.375 3.239 3.899
6 HB3 MET 1 HB1 MET 1 -15.004 4.123 3.244
7 HG2 MET 1 HG2 MET 1 -16.891 4.478 1.826
8 HG3 MET 1 HG1 MET 1 -15.725 3.472 0.970
9 HE1 MET 1 HE1 MET 1 -17.576 2.801 -0.808
10 HE2 MET 1 HE2 MET 1 -18.745 3.816 0.035
11 HE3 MET 1 HE3 MET 1 -19.158 2.151 -0.373
12 H LYS 2 HN LYS 2 -14.881 0.523 1.066
13 HA LYS 2 HA LYS 2 -13.705 0.227 -0.841
14 HB2 LYS 2 HB2 LYS 2 -13.057 3.135 -0.385
15 HB3 LYS 2 HB1 LYS 2 -12.533 2.250 -1.811
16 HG2 LYS 2 HG2 LYS 2 -15.370 2.767 -0.955
17 HG3 LYS 2 HG1 LYS 2 -14.518 3.497 -2.319
18 HD2 LYS 2 HD2 LYS 2 -14.202 1.113 -3.176
19 HD3 LYS 2 HD1 LYS 2 -15.417 0.649 -1.983
20 HE2 LYS 2 HE2 LYS 2 -16.493 0.997 -4.102
21 HE3 LYS 2 HE1 LYS 2 -16.970 2.290 -3.001
22 HZ1 LYS 2 HZ1 LYS 2 -14.777 2.556 -4.982
23 HZ2 LYS 2 HZ2 LYS 2 -15.495 3.792 -4.071
24 HZ3 LYS 2 HZ3 LYS 2 -16.374 3.023 -5.298
25 HA PRO 3 HA PRO 3 -9.731 -0.477 1.235
26 HB2 PRO 3 HB2 PRO 3 -9.913 -3.203 1.259
27 HB3 PRO 3 HB1 PRO 3 -10.565 -2.165 2.534
28 HG2 PRO 3 HG2 PRO 3 -11.987 -3.772 0.592
29 HG3 PRO 3 HG1 PRO 3 -12.626 -2.895 1.989
30 HD2 PRO 3 HD2 PRO 3 -12.582 -2.121 -0.835
31 HD3 PRO 3 HD1 PRO 3 -13.548 -1.448 0.496
32 H TYR 4 HN TYR 4 -8.000 -0.453 0.040
33 HA TYR 4 HA TYR 4 -7.959 -1.855 -2.547
34 HB2 TYR 4 HB2 TYR 4 -6.307 0.524 -1.650
35 HB3 TYR 4 HB1 TYR 4 -6.281 -0.214 -3.253
36 HD1 TYR 4 HD2 TYR 4 -8.338 -0.060 -4.700
37 HD2 TYR 4 HD1 TYR 4 -7.941 2.132 -1.068
38 HE1 TYR 4 HE2 TYR 4 -10.129 1.459 -5.426
39 HE2 TYR 4 HE1 TYR 4 -9.731 3.654 -1.786
40 HH TYR 4 HH TYR 4 -10.793 4.410 -3.839
41 H GLN 5 HN GLN 5 -6.619 -3.541 -2.718
42 HA GLN 5 HA GLN 5 -5.141 -4.285 -0.353
43 HB2 GLN 5 HB2 GLN 5 -5.583 -5.779 -2.939
44 HB3 GLN 5 HB1 GLN 5 -4.877 -6.454 -1.474
45 HG2 GLN 5 HG2 GLN 5 -6.954 -6.115 -0.279
46 HG3 GLN 5 HG1 GLN 5 -7.665 -5.336 -1.691
47 HE21 GLN 5 HE21 GLN 5 -9.322 -6.783 -1.874
48 HE22 GLN 5 HE22 GLN 5 -9.086 -8.422 -2.384
49 H CYS 6 HN CYS 6 -3.014 -4.432 -0.080
50 HA CYS 6 HA CYS 6 -1.235 -3.220 -1.986
51 HB2 CYS 6 HB2 CYS 6 -0.940 -2.984 0.440
52 HB3 CYS 6 HB1 CYS 6 -0.745 -4.720 0.584
53 H ASP 7 HN ASP 7 -0.172 -4.259 -3.578
54 HA ASP 7 HA ASP 7 -0.946 -6.867 -4.264
55 HB2 ASP 7 HB2 ASP 7 1.244 -5.114 -5.379
56 HB3 ASP 7 HB1 ASP 7 0.747 -6.651 -6.097
57 H TYR 8 HN TYR 8 1.482 -5.929 -2.084
58 HA TYR 8 HA TYR 8 2.941 -8.456 -2.535
59 HB2 TYR 8 HB2 TYR 8 3.819 -6.058 -0.904
60 HB3 TYR 8 HB1 TYR 8 4.774 -7.505 -1.238
61 HD1 TYR 8 HD2 TYR 8 5.078 -7.997 -3.844
62 HD2 TYR 8 HD1 TYR 8 4.223 -4.195 -2.152
63 HE1 TYR 8 HE2 TYR 8 6.017 -6.909 -5.837
64 HE2 TYR 8 HE1 TYR 8 5.158 -3.093 -4.133
65 HH TYR 8 HH TYR 8 5.834 -4.761 -7.023
66 H CYS 9 HN CYS 9 0.881 -6.704 -0.487
67 HA CYS 9 HA CYS 9 1.588 -8.257 1.889
68 HB2 CYS 9 HB2 CYS 9 0.155 -5.726 1.329
69 HB3 CYS 9 HB1 CYS 9 -0.181 -6.552 2.821
70 H GLY 10 HN GLY 10 -1.151 -7.641 -0.268
71 HA2 GLY 10 HA2 GLY 10 -3.179 -8.780 -0.420
72 HA3 GLY 10 HA1 GLY 10 -2.692 -9.784 0.950
73 H ARG 11 HN ARG 11 -1.981 -6.918 2.071
74 HA ARG 11 HA ARG 11 -4.349 -6.707 3.685
75 HB2 ARG 11 HB2 ARG 11 -2.312 -6.376 4.834
76 HB3 ARG 11 HB1 ARG 11 -1.690 -5.294 3.590
77 HG2 ARG 11 HG2 ARG 11 -2.202 -3.986 5.495
78 HG3 ARG 11 HG1 ARG 11 -3.422 -3.636 4.273
79 HD2 ARG 11 HD2 ARG 11 -4.965 -5.189 5.406
80 HD3 ARG 11 HD1 ARG 11 -3.740 -5.457 6.659
81 HE ARG 11 HE ARG 11 -4.704 -2.727 6.147
82 HH11 ARG 11 HH11 ARG 11 -4.565 -5.519 8.255
83 HH12 ARG 11 HH12 ARG 11 -5.036 -4.628 9.670
84 HH21 ARG 11 HH21 ARG 11 -5.346 -1.562 7.970
85 HH22 ARG 11 HH22 ARG 11 -5.531 -2.369 9.500
86 H SER 12 HN SER 12 -5.921 -5.216 3.544
87 HA SER 12 HA SER 12 -5.924 -3.557 1.146
88 HB2 SER 12 HB2 SER 12 -8.370 -3.331 1.658
89 HB3 SER 12 HB1 SER 12 -7.840 -4.994 1.393
90 HG SER 12 HG SER 12 -8.717 -3.739 3.729
91 H PHE 13 HN PHE 13 -5.467 -1.472 1.261
92 HA PHE 13 HA PHE 13 -5.902 -0.026 3.792
93 HB2 PHE 13 HB2 PHE 13 -4.430 1.014 1.377
94 HB3 PHE 13 HB1 PHE 13 -4.336 1.590 3.045
95 HD1 PHE 13 HD1 PHE 13 -3.336 -0.078 4.779
96 HD2 PHE 13 HD2 PHE 13 -2.862 -0.441 0.569
97 HE1 PHE 13 HE1 PHE 13 -1.367 -1.516 5.127
98 HE2 PHE 13 HE2 PHE 13 -0.902 -1.873 0.907
99 HZ PHE 13 HZ PHE 13 -0.134 -2.426 3.177
100 H SER 14 HN SER 14 -7.581 1.286 3.937
101 HA SER 14 HA SER 14 -9.370 1.487 1.684
102 HB2 SER 14 HB2 SER 14 -9.653 2.707 4.436
103 HB3 SER 14 HB1 SER 14 -10.939 2.433 3.261
104 HG SER 14 HG SER 14 -10.854 0.817 4.904
105 H ASP 15 HN ASP 15 -6.684 3.019 2.018
106 HA ASP 15 HA ASP 15 -7.768 5.584 1.072
107 HB2 ASP 15 HB2 ASP 15 -5.848 5.172 3.330
108 HB3 ASP 15 HB1 ASP 15 -5.674 6.596 2.309
109 HA PRO 16 HA PRO 16 -5.131 4.341 -2.293
110 HB2 PRO 16 HB2 PRO 16 -5.654 7.153 -3.098
111 HB3 PRO 16 HB1 PRO 16 -5.873 5.660 -4.015
112 HG2 PRO 16 HG2 PRO 16 -7.973 6.961 -3.026
113 HG3 PRO 16 HG1 PRO 16 -7.913 5.188 -3.009
114 HD2 PRO 16 HD2 PRO 16 -7.447 7.126 -0.777
115 HD3 PRO 16 HD1 PRO 16 -8.283 5.555 -0.751
116 H THR 17 HN THR 17 -4.772 7.504 -0.714
117 HA THR 17 HA THR 17 -2.104 7.915 -1.606
118 HB THR 17 HB THR 17 -3.446 9.223 0.762
119 HG1 THR 17 HG1 THR 17 -3.586 9.866 -2.024
120 HG21 THR 17 HG21 THR 17 -1.280 10.142 -1.136
121 HG22 THR 17 HG22 THR 17 -1.066 9.692 0.556
122 HG23 THR 17 HG23 THR 17 -2.004 11.127 0.139
123 H SER 18 HN SER 18 -3.549 6.660 1.384
124 HA SER 18 HA SER 18 -1.047 6.488 2.737
125 HB2 SER 18 HB2 SER 18 -3.628 5.056 3.408
126 HB3 SER 18 HB1 SER 18 -2.280 5.363 4.504
127 HG SER 18 HG SER 18 -2.707 7.588 4.332
128 H LYS 19 HN LYS 19 -3.006 4.315 0.843
129 HA LYS 19 HA LYS 19 -1.336 2.040 1.150
130 HB2 LYS 19 HB2 LYS 19 -3.452 1.551 0.324
131 HB3 LYS 19 HB1 LYS 19 -3.461 2.901 -0.795
132 HG2 LYS 19 HG2 LYS 19 -1.656 1.630 -2.079
133 HG3 LYS 19 HG1 LYS 19 -2.065 0.250 -1.058
134 HD2 LYS 19 HD2 LYS 19 -3.306 0.039 -3.080
135 HD3 LYS 19 HD1 LYS 19 -4.438 0.514 -1.812
136 HE2 LYS 19 HE2 LYS 19 -4.954 1.810 -3.738
137 HE3 LYS 19 HE1 LYS 19 -4.165 2.882 -2.583
138 HZ1 LYS 19 HZ1 LYS 19 -3.252 3.309 -4.722
139 HZ2 LYS 19 HZ2 LYS 19 -2.979 1.664 -5.018
140 HZ3 LYS 19 HZ3 LYS 19 -2.058 2.475 -3.846
141 H MET 20 HN MET 20 -0.932 5.019 -0.386
142 HA MET 20 HA MET 20 0.710 3.995 -2.573
143 HB2 MET 20 HB2 MET 20 -0.834 5.761 -3.107
144 HB3 MET 20 HB1 MET 20 -0.184 6.779 -1.822
145 HG2 MET 20 HG2 MET 20 1.900 7.009 -3.017
146 HG3 MET 20 HG1 MET 20 1.348 5.885 -4.259
147 HE1 MET 20 HE1 MET 20 -0.670 6.402 -5.929
148 HE2 MET 20 HE2 MET 20 -1.629 7.879 -5.857
149 HE3 MET 20 HE3 MET 20 -1.695 6.719 -4.529
150 H ARG 21 HN ARG 21 1.085 6.225 0.190
151 HA ARG 21 HA ARG 21 3.877 6.456 0.079
152 HB2 ARG 21 HB2 ARG 21 2.586 7.872 1.568
153 HB3 ARG 21 HB1 ARG 21 2.018 6.472 2.469
154 HG2 ARG 21 HG2 ARG 21 4.367 6.012 3.122
155 HG3 ARG 21 HG1 ARG 21 4.834 7.524 2.346
156 HD2 ARG 21 HD2 ARG 21 3.420 8.772 3.874
157 HD3 ARG 21 HD1 ARG 21 2.852 7.269 4.606
158 HE ARG 21 HE ARG 21 5.709 7.594 4.678
159 HH11 ARG 21 HH11 ARG 21 2.696 8.269 6.342
160 HH12 ARG 21 HH12 ARG 21 3.455 8.449 7.894
161 HH21 ARG 21 HH21 ARG 21 6.706 7.834 6.710
162 HH22 ARG 21 HH22 ARG 21 5.736 8.196 8.108
163 H HIS 22 HN HIS 22 1.781 4.038 1.503
164 HA HIS 22 HA HIS 22 3.678 2.511 2.863
165 HB2 HIS 22 HB2 HIS 22 1.261 2.268 3.167
166 HB3 HIS 22 HB1 HIS 22 1.100 1.659 1.519
167 HD1 HIS 22 HD1 HIS 22 2.106 0.608 4.972
168 HD2 HIS 22 HD2 HIS 22 1.911 -0.964 1.124
169 HE1 HIS 22 HE1 HIS 22 2.342 -1.897 5.212
170 H LEU 23 HN LEU 23 2.442 2.181 -0.465
171 HA LEU 23 HA LEU 23 4.033 -0.050 -1.152
172 HB2 LEU 23 HB2 LEU 23 2.296 1.856 -2.545
173 HB3 LEU 23 HB1 LEU 23 3.610 1.235 -3.539
174 HG LEU 23 HG LEU 23 1.550 -0.073 -3.809
175 HD11 LEU 23 HD11 LEU 23 3.772 -1.553 -2.423
176 HD12 LEU 23 HD12 LEU 23 3.679 -1.169 -4.142
177 HD13 LEU 23 HD13 LEU 23 2.520 -2.289 -3.422
178 HD21 LEU 23 HD21 LEU 23 0.773 -1.507 -1.959
179 HD22 LEU 23 HD22 LEU 23 0.555 0.217 -1.634
180 HD23 LEU 23 HD23 LEU 23 1.882 -0.663 -0.876
181 H GLU 24 HN GLU 24 4.613 3.410 -1.278
182 HA GLU 24 HA GLU 24 6.995 3.352 -2.782
183 HB2 GLU 24 HB2 GLU 24 5.564 5.350 -2.320
184 HB3 GLU 24 HB1 GLU 24 6.148 5.332 -0.663
185 HG2 GLU 24 HG2 GLU 24 7.349 6.971 -1.878
186 HG3 GLU 24 HG1 GLU 24 8.445 5.632 -1.517
187 H THR 25 HN THR 25 6.281 2.478 0.460
188 HA THR 25 HA THR 25 9.073 2.717 1.310
189 HB THR 25 HB THR 25 6.720 1.868 3.006
190 HG1 THR 25 HG1 THR 25 6.358 3.964 2.081
191 HG21 THR 25 HG21 THR 25 9.400 3.088 3.708
192 HG22 THR 25 HG22 THR 25 8.930 1.407 3.965
193 HG23 THR 25 HG23 THR 25 8.119 2.697 4.854
194 H HIS 26 HN HIS 26 7.271 0.516 -0.297
195 HA HIS 26 HA HIS 26 7.962 -1.852 1.181
196 HB2 HIS 26 HB2 HIS 26 6.352 -1.238 -1.173
197 HB3 HIS 26 HB1 HIS 26 7.266 -2.741 -1.334
198 HD1 HIS 26 HD1 HIS 26 6.655 -4.697 0.274
199 HD2 HIS 26 HD2 HIS 26 4.338 -1.265 0.786
200 HE1 HIS 26 HE1 HIS 26 4.657 -5.338 1.747
201 H ASP 27 HN ASP 27 9.389 -0.049 -1.453
202 HA ASP 27 HA ASP 27 11.417 -2.163 -1.710
203 HB2 ASP 27 HB2 ASP 27 10.175 -1.232 -3.789
204 HB3 ASP 27 HB1 ASP 27 11.214 0.177 -3.588
205 H THR 28 HN THR 28 12.372 -1.514 0.292
206 HA THR 28 HA THR 28 13.916 0.975 0.137
207 HB THR 28 HB THR 28 14.506 0.319 2.567
208 HG1 THR 28 HG1 THR 28 13.554 -1.857 2.243
209 HG21 THR 28 HG21 THR 28 13.045 2.187 2.006
210 HG22 THR 28 HG22 THR 28 12.415 1.317 3.406
211 HG23 THR 28 HG23 THR 28 11.681 1.085 1.818
212 H ASP 29 HN ASP 29 14.297 -1.761 -1.184
213 HA ASP 29 HA ASP 29 16.807 -2.712 -0.137
214 HB2 ASP 29 HB2 ASP 29 15.242 -3.369 -2.637
215 HB3 ASP 29 HB1 ASP 29 16.794 -4.106 -2.260
216 H LYS 30 HN LYS 30 15.687 -0.739 -2.816
217 HA LYS 30 HA LYS 30 18.216 0.592 -2.955
218 HB2 LYS 30 HB2 LYS 30 18.205 0.143 -5.575
219 HB3 LYS 30 HB1 LYS 30 19.052 -0.911 -4.457
220 HG2 LYS 30 HG2 LYS 30 17.919 -2.317 -5.962
221 HG3 LYS 30 HG1 LYS 30 17.007 -2.380 -4.459
222 HD2 LYS 30 HD2 LYS 30 15.420 -0.731 -5.398
223 HD3 LYS 30 HD1 LYS 30 16.312 -0.778 -6.920
224 HE2 LYS 30 HE2 LYS 30 14.363 -2.216 -7.042
225 HE3 LYS 30 HE1 LYS 30 15.838 -3.181 -7.105
226 HZ1 LYS 30 HZ1 LYS 30 14.200 -2.746 -4.665
227 HZ2 LYS 30 HZ2 LYS 30 15.559 -3.756 -4.800
228 HZ3 LYS 30 HZ3 LYS 30 14.136 -4.135 -5.637
Start of MODEL 9
1 H1 MET 1 HT1 MET 1 -16.285 4.280 -1.064
2 H2 MET 1 HT2 MET 1 -16.813 4.681 0.491
3 H3 MET 1 HT3 MET 1 -17.347 3.251 -0.241
4 HA MET 1 HA MET 1 -14.572 3.862 0.572
5 HB2 MET 1 HB2 MET 1 -16.625 1.948 1.695
6 HB3 MET 1 HB1 MET 1 -14.925 1.939 2.140
7 HG2 MET 1 HG2 MET 1 -15.167 4.243 2.975
8 HG3 MET 1 HG1 MET 1 -16.888 4.171 2.599
9 HE1 MET 1 HE1 MET 1 -14.722 1.189 3.935
10 HE2 MET 1 HE2 MET 1 -14.871 1.393 5.682
11 HE3 MET 1 HE3 MET 1 -13.985 2.581 4.726
12 H LYS 2 HN LYS 2 -13.287 3.071 -0.960
13 HA LYS 2 HA LYS 2 -13.752 0.273 -1.739
14 HB2 LYS 2 HB2 LYS 2 -12.646 0.733 -3.895
15 HB3 LYS 2 HB1 LYS 2 -14.130 1.650 -3.705
16 HG2 LYS 2 HG2 LYS 2 -12.809 3.636 -3.111
17 HG3 LYS 2 HG1 LYS 2 -11.329 2.705 -3.356
18 HD2 LYS 2 HD2 LYS 2 -11.767 4.006 -5.333
19 HD3 LYS 2 HD1 LYS 2 -12.030 2.300 -5.702
20 HE2 LYS 2 HE2 LYS 2 -14.448 2.625 -5.396
21 HE3 LYS 2 HE1 LYS 2 -14.168 4.336 -5.077
22 HZ1 LYS 2 HZ1 LYS 2 -14.824 4.043 -7.350
23 HZ2 LYS 2 HZ2 LYS 2 -13.611 2.892 -7.613
24 HZ3 LYS 2 HZ3 LYS 2 -13.194 4.508 -7.320
25 HA PRO 3 HA PRO 3 -9.877 -0.056 0.300
26 HB2 PRO 3 HB2 PRO 3 -9.855 -2.859 0.037
27 HB3 PRO 3 HB1 PRO 3 -10.557 -1.926 1.371
28 HG2 PRO 3 HG2 PRO 3 -11.966 -3.484 -0.486
29 HG3 PRO 3 HG1 PRO 3 -12.657 -2.296 0.630
30 HD2 PRO 3 HD2 PRO 3 -11.966 -2.011 -2.258
31 HD3 PRO 3 HD1 PRO 3 -13.319 -1.299 -1.345
32 H TYR 4 HN TYR 4 -7.894 0.053 -0.318
33 HA TYR 4 HA TYR 4 -7.079 -1.126 -2.877
34 HB2 TYR 4 HB2 TYR 4 -6.092 1.254 -1.325
35 HB3 TYR 4 HB1 TYR 4 -5.072 0.481 -2.540
36 HD1 TYR 4 HD1 TYR 4 -8.189 2.384 -2.005
37 HD2 TYR 4 HD2 TYR 4 -5.506 0.744 -4.872
38 HE1 TYR 4 HE1 TYR 4 -9.278 3.705 -3.773
39 HE2 TYR 4 HE2 TYR 4 -6.585 2.059 -6.646
40 HH TYR 4 HH TYR 4 -8.628 4.631 -6.051
41 H GLN 5 HN GLN 5 -6.176 -3.021 -2.609
42 HA GLN 5 HA GLN 5 -4.887 -3.775 -0.157
43 HB2 GLN 5 HB2 GLN 5 -4.490 -5.934 -1.302
44 HB3 GLN 5 HB1 GLN 5 -6.174 -5.445 -1.342
45 HG2 GLN 5 HG2 GLN 5 -4.291 -4.992 -3.640
46 HG3 GLN 5 HG1 GLN 5 -5.235 -6.466 -3.449
47 HE21 GLN 5 HE21 GLN 5 -7.491 -6.378 -3.701
48 HE22 GLN 5 HE22 GLN 5 -8.261 -5.031 -4.476
49 H CYS 6 HN CYS 6 -2.662 -4.427 0.063
50 HA CYS 6 HA CYS 6 -0.877 -2.810 -1.561
51 HB2 CYS 6 HB2 CYS 6 -0.710 -3.120 0.939
52 HB3 CYS 6 HB1 CYS 6 -0.228 -4.769 0.614
53 H ASP 7 HN ASP 7 0.367 -3.575 -3.154
54 HA ASP 7 HA ASP 7 -0.545 -5.739 -4.595
55 HB2 ASP 7 HB2 ASP 7 2.130 -4.355 -4.825
56 HB3 ASP 7 HB1 ASP 7 1.360 -5.341 -6.079
57 H TYR 8 HN TYR 8 1.821 -5.808 -2.050
58 HA TYR 8 HA TYR 8 2.638 -8.505 -2.937
59 HB2 TYR 8 HB2 TYR 8 4.101 -6.918 -0.843
60 HB3 TYR 8 HB1 TYR 8 4.698 -8.245 -1.840
61 HD1 TYR 8 HD2 TYR 8 4.723 -7.732 -4.422
62 HD2 TYR 8 HD1 TYR 8 4.740 -4.758 -1.379
63 HE1 TYR 8 HE2 TYR 8 5.682 -6.129 -6.010
64 HE2 TYR 8 HE1 TYR 8 5.702 -3.141 -2.960
65 HH TYR 8 HH TYR 8 5.791 -3.663 -6.297
66 H CYS 9 HN CYS 9 0.813 -6.778 -0.725
67 HA CYS 9 HA CYS 9 1.337 -8.663 1.467
68 HB2 CYS 9 HB2 CYS 9 0.265 -5.867 1.430
69 HB3 CYS 9 HB1 CYS 9 0.373 -6.827 2.870
70 H GLY 10 HN GLY 10 -1.234 -7.319 -0.515
71 HA2 GLY 10 HA2 GLY 10 -3.388 -8.101 -0.827
72 HA3 GLY 10 HA1 GLY 10 -3.054 -9.380 0.343
73 H ARG 11 HN ARG 11 -2.117 -6.902 2.048
74 HA ARG 11 HA ARG 11 -4.362 -6.751 3.715
75 HB2 ARG 11 HB2 ARG 11 -1.920 -6.289 4.284
76 HB3 ARG 11 HB1 ARG 11 -2.152 -4.705 3.541
77 HG2 ARG 11 HG2 ARG 11 -3.827 -4.135 5.164
78 HG3 ARG 11 HG1 ARG 11 -3.753 -5.759 5.853
79 HD2 ARG 11 HD2 ARG 11 -1.593 -3.653 5.872
80 HD3 ARG 11 HD1 ARG 11 -2.476 -4.301 7.260
81 HE ARG 11 HE ARG 11 -1.310 -6.502 6.216
82 HH11 ARG 11 HH11 ARG 11 -0.084 -3.370 7.212
83 HH12 ARG 11 HH12 ARG 11 1.512 -3.964 7.553
84 HH21 ARG 11 HH21 ARG 11 0.785 -7.288 6.646
85 HH22 ARG 11 HH22 ARG 11 2.008 -6.195 7.243
86 H SER 12 HN SER 12 -6.028 -5.316 3.842
87 HA SER 12 HA SER 12 -6.464 -3.678 1.480
88 HB2 SER 12 HB2 SER 12 -8.374 -4.198 3.765
89 HB3 SER 12 HB1 SER 12 -8.773 -3.609 2.152
90 HG SER 12 HG SER 12 -8.335 -6.168 3.047
91 H PHE 13 HN PHE 13 -5.430 -1.767 1.648
92 HA PHE 13 HA PHE 13 -5.740 -0.157 4.065
93 HB2 PHE 13 HB2 PHE 13 -4.319 0.512 1.471
94 HB3 PHE 13 HB1 PHE 13 -4.241 1.436 2.975
95 HD1 PHE 13 HD2 PHE 13 -3.230 -1.680 1.302
96 HD2 PHE 13 HD1 PHE 13 -2.770 0.774 4.744
97 HE1 PHE 13 HE2 PHE 13 -1.260 -2.988 1.964
98 HE2 PHE 13 HE1 PHE 13 -0.784 -0.527 5.407
99 HZ PHE 13 HZ PHE 13 -0.008 -2.419 4.005
100 H SER 14 HN SER 14 -7.420 1.117 4.291
101 HA SER 14 HA SER 14 -9.323 1.390 2.164
102 HB2 SER 14 HB2 SER 14 -10.594 2.705 3.912
103 HB3 SER 14 HB1 SER 14 -10.168 1.057 4.378
104 HG SER 14 HG SER 14 -8.645 3.358 5.059
105 H ASP 15 HN ASP 15 -6.564 2.821 2.252
106 HA ASP 15 HA ASP 15 -7.613 5.476 1.517
107 HB2 ASP 15 HB2 ASP 15 -5.159 4.914 3.197
108 HB3 ASP 15 HB1 ASP 15 -5.566 6.488 2.525
109 HA PRO 16 HA PRO 16 -5.543 4.213 -2.242
110 HB2 PRO 16 HB2 PRO 16 -6.055 7.060 -2.900
111 HB3 PRO 16 HB1 PRO 16 -6.486 5.602 -3.801
112 HG2 PRO 16 HG2 PRO 16 -8.339 6.987 -2.476
113 HG3 PRO 16 HG1 PRO 16 -8.380 5.212 -2.515
114 HD2 PRO 16 HD2 PRO 16 -7.486 7.047 -0.329
115 HD3 PRO 16 HD1 PRO 16 -8.393 5.517 -0.223
116 H THR 17 HN THR 17 -4.875 7.429 -0.837
117 HA THR 17 HA THR 17 -2.291 7.629 -1.987
118 HB THR 17 HB THR 17 -3.412 9.110 0.404
119 HG1 THR 17 HG1 THR 17 -4.717 9.610 -1.297
120 HG21 THR 17 HG21 THR 17 -0.980 9.290 0.244
121 HG22 THR 17 HG22 THR 17 -1.746 10.825 -0.169
122 HG23 THR 17 HG23 THR 17 -1.116 9.780 -1.442
123 H SER 18 HN SER 18 -3.502 6.397 1.092
124 HA SER 18 HA SER 18 -0.905 6.268 2.259
125 HB2 SER 18 HB2 SER 18 -3.368 4.800 3.197
126 HB3 SER 18 HB1 SER 18 -1.966 5.273 4.161
127 HG SER 18 HG SER 18 -3.032 7.032 4.553
128 H LYS 19 HN LYS 19 -3.013 3.977 0.635
129 HA LYS 19 HA LYS 19 -1.302 1.746 0.984
130 HB2 LYS 19 HB2 LYS 19 -3.445 1.149 0.365
131 HB3 LYS 19 HB1 LYS 19 -3.608 2.457 -0.789
132 HG2 LYS 19 HG2 LYS 19 -1.704 0.223 -1.352
133 HG3 LYS 19 HG1 LYS 19 -3.435 -0.031 -1.579
134 HD2 LYS 19 HD2 LYS 19 -3.358 2.127 -2.972
135 HD3 LYS 19 HD1 LYS 19 -1.610 1.901 -2.973
136 HE2 LYS 19 HE2 LYS 19 -3.672 -0.033 -4.012
137 HE3 LYS 19 HE1 LYS 19 -2.593 0.963 -4.983
138 HZ1 LYS 19 HZ1 LYS 19 -0.724 -0.265 -3.853
139 HZ2 LYS 19 HZ2 LYS 19 -1.654 -1.176 -4.931
140 HZ3 LYS 19 HZ3 LYS 19 -1.887 -1.344 -3.265
141 H MET 20 HN MET 20 -1.089 4.591 -0.802
142 HA MET 20 HA MET 20 0.684 3.517 -2.857
143 HB2 MET 20 HB2 MET 20 -0.834 5.157 -3.663
144 HB3 MET 20 HB1 MET 20 -0.483 6.251 -2.325
145 HG2 MET 20 HG2 MET 20 0.507 7.042 -4.391
146 HG3 MET 20 HG1 MET 20 1.755 6.626 -3.219
147 HE1 MET 20 HE1 MET 20 3.320 5.791 -6.748
148 HE2 MET 20 HE2 MET 20 3.477 6.766 -5.288
149 HE3 MET 20 HE3 MET 20 2.153 7.069 -6.411
150 H ARG 21 HN ARG 21 0.798 5.932 -0.235
151 HA ARG 21 HA ARG 21 3.551 6.401 -0.222
152 HB2 ARG 21 HB2 ARG 21 1.790 7.613 1.142
153 HB3 ARG 21 HB1 ARG 21 1.787 6.235 2.233
154 HG2 ARG 21 HG2 ARG 21 4.299 6.653 2.475
155 HG3 ARG 21 HG1 ARG 21 3.976 8.220 1.732
156 HD2 ARG 21 HD2 ARG 21 3.904 8.555 4.078
157 HD3 ARG 21 HD1 ARG 21 2.234 8.582 3.517
158 HE ARG 21 HE ARG 21 2.443 6.043 4.224
159 HH11 ARG 21 HH11 ARG 21 3.530 8.913 5.918
160 HH12 ARG 21 HH12 ARG 21 3.434 8.167 7.486
161 HH21 ARG 21 HH21 ARG 21 2.346 5.064 6.262
162 HH22 ARG 21 HH22 ARG 21 2.785 5.972 7.682
163 H HIS 22 HN HIS 22 1.608 3.916 1.326
164 HA HIS 22 HA HIS 22 3.617 2.601 2.758
165 HB2 HIS 22 HB2 HIS 22 1.267 2.225 3.192
166 HB3 HIS 22 HB1 HIS 22 1.027 1.592 1.563
167 HD1 HIS 22 HD1 HIS 22 2.542 0.645 4.898
168 HD2 HIS 22 HD2 HIS 22 1.579 -1.039 1.217
169 HE1 HIS 22 HE1 HIS 22 2.768 -1.855 5.180
170 H LEU 23 HN LEU 23 2.519 2.223 -0.588
171 HA LEU 23 HA LEU 23 4.037 -0.064 -1.217
172 HB2 LEU 23 HB2 LEU 23 2.408 1.838 -2.612
173 HB3 LEU 23 HB1 LEU 23 3.895 1.580 -3.515
174 HG LEU 23 HG LEU 23 3.452 -0.827 -3.581
175 HD11 LEU 23 HD11 LEU 23 2.232 -1.006 -1.451
176 HD12 LEU 23 HD12 LEU 23 1.362 -1.760 -2.786
177 HD13 LEU 23 HD13 LEU 23 0.859 -0.176 -2.185
178 HD21 LEU 23 HD21 LEU 23 1.134 0.875 -4.493
179 HD22 LEU 23 HD22 LEU 23 1.496 -0.753 -5.066
180 HD23 LEU 23 HD23 LEU 23 2.622 0.566 -5.387
181 H GLU 24 HN GLU 24 4.756 3.387 -1.484
182 HA GLU 24 HA GLU 24 7.363 3.154 -2.518
183 HB2 GLU 24 HB2 GLU 24 6.151 5.296 -0.760
184 HB3 GLU 24 HB1 GLU 24 7.681 5.450 -1.610
185 HG2 GLU 24 HG2 GLU 24 5.034 4.982 -2.958
186 HG3 GLU 24 HG1 GLU 24 5.765 6.572 -2.713
187 H THR 25 HN THR 25 6.056 2.897 0.703
188 HA THR 25 HA THR 25 8.553 3.170 2.063
189 HB THR 25 HB THR 25 5.980 1.979 3.124
190 HG1 THR 25 HG1 THR 25 5.578 4.066 2.341
191 HG21 THR 25 HG21 THR 25 6.821 2.725 5.297
192 HG22 THR 25 HG22 THR 25 8.292 3.326 4.534
193 HG23 THR 25 HG23 THR 25 7.950 1.596 4.548
194 H HIS 26 HN HIS 26 7.067 0.597 0.365
195 HA HIS 26 HA HIS 26 8.313 -1.528 1.838
196 HB2 HIS 26 HB2 HIS 26 6.705 -1.360 -0.658
197 HB3 HIS 26 HB1 HIS 26 7.767 -2.757 -0.470
198 HD1 HIS 26 HD1 HIS 26 7.290 -4.285 1.723
199 HD2 HIS 26 HD2 HIS 26 4.383 -1.449 0.775
200 HE1 HIS 26 HE1 HIS 26 5.163 -4.908 3.014
201 H ASP 27 HN ASP 27 9.528 0.789 -0.212
202 HA ASP 27 HA ASP 27 11.633 -0.631 -1.443
203 HB2 ASP 27 HB2 ASP 27 11.073 1.711 -2.007
204 HB3 ASP 27 HB1 ASP 27 11.606 2.218 -0.410
205 H THR 28 HN THR 28 13.686 -1.164 -0.691
206 HA THR 28 HA THR 28 14.972 -2.245 0.829
207 HB THR 28 HB THR 28 15.809 -0.868 2.738
208 HG1 THR 28 HG1 THR 28 13.582 0.532 2.248
209 HG21 THR 28 HG21 THR 28 16.915 -0.773 0.587
210 HG22 THR 28 HG22 THR 28 16.911 0.824 1.335
211 HG23 THR 28 HG23 THR 28 15.781 0.459 0.032
212 H ASP 29 HN ASP 29 12.735 -3.417 1.039
213 HA ASP 29 HA ASP 29 11.373 -3.387 3.503
214 HB2 ASP 29 HB2 ASP 29 10.606 -4.566 1.422
215 HB3 ASP 29 HB1 ASP 29 11.861 -5.769 1.689
216 H LYS 30 HN LYS 30 14.186 -5.149 2.340
217 HA LYS 30 HA LYS 30 14.816 -6.030 5.058
218 HB2 LYS 30 HB2 LYS 30 15.093 -7.785 3.478
219 HB3 LYS 30 HB1 LYS 30 15.918 -6.735 2.339
220 HG2 LYS 30 HG2 LYS 30 17.457 -8.298 3.384
221 HG3 LYS 30 HG1 LYS 30 17.853 -6.632 3.808
222 HD2 LYS 30 HD2 LYS 30 16.608 -6.972 5.953
223 HD3 LYS 30 HD1 LYS 30 16.459 -8.680 5.525
224 HE2 LYS 30 HE2 LYS 30 18.348 -8.371 7.008
225 HE3 LYS 30 HE1 LYS 30 18.917 -8.839 5.407
226 HZ1 LYS 30 HZ1 LYS 30 19.360 -6.468 4.958
227 HZ2 LYS 30 HZ2 LYS 30 20.270 -7.062 6.256
228 HZ3 LYS 30 HZ3 LYS 30 18.912 -6.092 6.550
Start of MODEL 10
1 H1 MET 1 HT1 MET 1 -17.164 1.003 3.033
2 H2 MET 1 HT2 MET 1 -17.963 0.323 1.705
3 H3 MET 1 HT3 MET 1 -18.129 1.978 2.031
4 HA MET 1 HA MET 1 -16.644 1.706 0.203
5 HB2 MET 1 HB2 MET 1 -15.230 2.397 2.789
6 HB3 MET 1 HB1 MET 1 -14.541 2.673 1.196
7 HG2 MET 1 HG2 MET 1 -16.453 4.145 0.672
8 HG3 MET 1 HG1 MET 1 -17.029 3.927 2.323
9 HE1 MET 1 HE1 MET 1 -13.041 5.983 1.222
10 HE2 MET 1 HE2 MET 1 -14.197 5.389 0.033
11 HE3 MET 1 HE3 MET 1 -13.313 4.249 1.045
12 H LYS 2 HN LYS 2 -14.825 0.748 -0.734
13 HA LYS 2 HA LYS 2 -13.992 -1.753 0.570
14 HB2 LYS 2 HB2 LYS 2 -14.140 -1.016 -2.353
15 HB3 LYS 2 HB1 LYS 2 -13.388 -2.488 -1.759
16 HG2 LYS 2 HG2 LYS 2 -15.542 -3.155 -0.765
17 HG3 LYS 2 HG1 LYS 2 -16.281 -1.709 -1.455
18 HD2 LYS 2 HD2 LYS 2 -14.914 -3.877 -3.043
19 HD3 LYS 2 HD1 LYS 2 -16.657 -3.739 -2.816
20 HE2 LYS 2 HE2 LYS 2 -16.673 -1.601 -3.944
21 HE3 LYS 2 HE1 LYS 2 -14.914 -1.630 -4.085
22 HZ1 LYS 2 HZ1 LYS 2 -15.015 -3.422 -5.587
23 HZ2 LYS 2 HZ2 LYS 2 -16.179 -2.310 -6.122
24 HZ3 LYS 2 HZ3 LYS 2 -16.657 -3.705 -5.280
25 HA PRO 3 HA PRO 3 -9.995 0.136 0.645
26 HB2 PRO 3 HB2 PRO 3 -8.911 -2.174 1.897
27 HB3 PRO 3 HB1 PRO 3 -9.503 -0.702 2.684
28 HG2 PRO 3 HG2 PRO 3 -10.666 -3.215 2.908
29 HG3 PRO 3 HG1 PRO 3 -11.476 -1.677 3.256
30 HD2 PRO 3 HD2 PRO 3 -11.569 -3.349 0.775
31 HD3 PRO 3 HD1 PRO 3 -12.890 -2.478 1.594
32 H TYR 4 HN TYR 4 -7.956 -0.135 -0.255
33 HA TYR 4 HA TYR 4 -7.911 -1.996 -2.517
34 HB2 TYR 4 HB2 TYR 4 -6.271 0.499 -2.019
35 HB3 TYR 4 HB1 TYR 4 -6.286 -0.456 -3.507
36 HD1 TYR 4 HD2 TYR 4 -8.360 -0.498 -4.908
37 HD2 TYR 4 HD1 TYR 4 -7.939 2.127 -1.588
38 HE1 TYR 4 HE2 TYR 4 -10.217 0.872 -5.761
39 HE2 TYR 4 HE1 TYR 4 -9.796 3.501 -2.429
40 HH TYR 4 HH TYR 4 -10.922 3.975 -4.538
41 H GLN 5 HN GLN 5 -6.362 -3.540 -2.694
42 HA GLN 5 HA GLN 5 -4.974 -4.102 -0.212
43 HB2 GLN 5 HB2 GLN 5 -5.169 -5.766 -2.724
44 HB3 GLN 5 HB1 GLN 5 -4.605 -6.313 -1.149
45 HG2 GLN 5 HG2 GLN 5 -6.882 -5.691 -0.262
46 HG3 GLN 5 HG1 GLN 5 -7.382 -5.503 -1.942
47 HE21 GLN 5 HE21 GLN 5 -8.280 -7.344 0.112
48 HE22 GLN 5 HE22 GLN 5 -8.045 -8.937 -0.527
49 H CYS 6 HN CYS 6 -2.787 -4.512 0.043
50 HA CYS 6 HA CYS 6 -1.018 -3.101 -1.767
51 HB2 CYS 6 HB2 CYS 6 -0.834 -3.106 0.736
52 HB3 CYS 6 HB1 CYS 6 -0.442 -4.807 0.652
53 H ASP 7 HN ASP 7 0.038 -4.081 -3.435
54 HA ASP 7 HA ASP 7 -0.749 -6.670 -4.211
55 HB2 ASP 7 HB2 ASP 7 -0.140 -4.810 -5.755
56 HB3 ASP 7 HB1 ASP 7 1.555 -5.059 -5.318
57 H TYR 8 HN TYR 8 1.641 -5.827 -1.989
58 HA TYR 8 HA TYR 8 3.181 -8.280 -2.562
59 HB2 TYR 8 HB2 TYR 8 4.064 -6.295 -0.502
60 HB3 TYR 8 HB1 TYR 8 5.037 -7.347 -1.531
61 HD1 TYR 8 HD2 TYR 8 5.542 -6.672 -3.855
62 HD2 TYR 8 HD1 TYR 8 3.415 -4.125 -1.201
63 HE1 TYR 8 HE2 TYR 8 5.987 -4.760 -5.337
64 HE2 TYR 8 HE1 TYR 8 3.855 -2.211 -2.665
65 HH TYR 8 HH TYR 8 5.066 -2.578 -5.832
66 H CYS 9 HN CYS 9 0.833 -6.894 -0.597
67 HA CYS 9 HA CYS 9 1.577 -8.563 1.715
68 HB2 CYS 9 HB2 CYS 9 0.308 -5.882 1.442
69 HB3 CYS 9 HB1 CYS 9 0.242 -6.756 2.941
70 H GLY 10 HN GLY 10 -1.173 -7.427 -0.220
71 HA2 GLY 10 HA2 GLY 10 -3.206 -8.546 -0.532
72 HA3 GLY 10 HA1 GLY 10 -2.775 -9.649 0.779
73 H ARG 11 HN ARG 11 -2.044 -6.975 2.245
74 HA ARG 11 HA ARG 11 -4.455 -6.755 3.722
75 HB2 ARG 11 HB2 ARG 11 -2.384 -6.327 4.865
76 HB3 ARG 11 HB1 ARG 11 -1.926 -5.088 3.689
77 HG2 ARG 11 HG2 ARG 11 -3.734 -3.680 4.446
78 HG3 ARG 11 HG1 ARG 11 -4.257 -4.914 5.589
79 HD2 ARG 11 HD2 ARG 11 -2.195 -4.706 6.824
80 HD3 ARG 11 HD1 ARG 11 -1.559 -3.562 5.631
81 HE ARG 11 HE ARG 11 -3.877 -2.410 6.471
82 HH11 ARG 11 HH11 ARG 11 -1.010 -3.567 8.132
83 HH12 ARG 11 HH12 ARG 11 -1.168 -2.435 9.444
84 HH21 ARG 11 HH21 ARG 11 -4.066 -0.914 8.162
85 HH22 ARG 11 HH22 ARG 11 -2.938 -0.970 9.490
86 H SER 12 HN SER 12 -6.039 -5.244 3.650
87 HA SER 12 HA SER 12 -6.140 -3.701 1.159
88 HB2 SER 12 HB2 SER 12 -8.404 -4.325 3.070
89 HB3 SER 12 HB1 SER 12 -8.530 -3.761 1.402
90 HG SER 12 HG SER 12 -7.152 -6.144 1.927
91 H PHE 13 HN PHE 13 -5.502 -1.642 1.333
92 HA PHE 13 HA PHE 13 -6.000 -0.133 3.802
93 HB2 PHE 13 HB2 PHE 13 -4.493 0.737 1.328
94 HB3 PHE 13 HB1 PHE 13 -4.503 1.540 2.900
95 HD1 PHE 13 HD1 PHE 13 -3.200 0.685 4.734
96 HD2 PHE 13 HD2 PHE 13 -3.176 -1.271 0.950
97 HE1 PHE 13 HE1 PHE 13 -1.233 -0.613 5.420
98 HE2 PHE 13 HE2 PHE 13 -1.199 -2.573 1.637
99 HZ PHE 13 HZ PHE 13 -0.143 -2.195 3.770
100 H SER 14 HN SER 14 -7.665 1.218 3.948
101 HA SER 14 HA SER 14 -9.426 1.485 1.671
102 HB2 SER 14 HB2 SER 14 -10.318 1.049 3.939
103 HB3 SER 14 HB1 SER 14 -9.693 2.609 4.474
104 HG SER 14 HG SER 14 -11.040 3.376 2.541
105 H ASP 15 HN ASP 15 -6.685 2.930 2.151
106 HA ASP 15 HA ASP 15 -7.665 5.572 1.289
107 HB2 ASP 15 HB2 ASP 15 -5.260 5.190 3.082
108 HB3 ASP 15 HB1 ASP 15 -5.994 6.711 2.589
109 HA PRO 16 HA PRO 16 -5.023 4.237 -2.114
110 HB2 PRO 16 HB2 PRO 16 -5.755 6.942 -3.082
111 HB3 PRO 16 HB1 PRO 16 -5.912 5.375 -3.885
112 HG2 PRO 16 HG2 PRO 16 -8.054 6.651 -2.924
113 HG3 PRO 16 HG1 PRO 16 -7.915 4.885 -2.839
114 HD2 PRO 16 HD2 PRO 16 -7.519 6.928 -0.689
115 HD3 PRO 16 HD1 PRO 16 -8.269 5.316 -0.599
116 H THR 17 HN THR 17 -4.943 7.335 -0.459
117 HA THR 17 HA THR 17 -2.425 8.175 -1.441
118 HB THR 17 HB THR 17 -2.586 9.679 0.697
119 HG1 THR 17 HG1 THR 17 -4.185 8.907 1.905
120 HG21 THR 17 HG21 THR 17 -4.581 9.837 -1.565
121 HG22 THR 17 HG22 THR 17 -2.947 10.505 -1.560
122 HG23 THR 17 HG23 THR 17 -4.172 11.165 -0.477
123 H SER 18 HN SER 18 -3.439 6.510 1.548
124 HA SER 18 HA SER 18 -0.767 6.556 2.578
125 HB2 SER 18 HB2 SER 18 -1.654 5.152 4.411
126 HB3 SER 18 HB1 SER 18 -2.661 6.576 4.141
127 HG SER 18 HG SER 18 -3.985 4.785 4.321
128 H LYS 19 HN LYS 19 -2.835 4.166 1.011
129 HA LYS 19 HA LYS 19 -1.001 2.060 1.078
130 HB2 LYS 19 HB2 LYS 19 -3.085 1.365 0.464
131 HB3 LYS 19 HB1 LYS 19 -3.423 2.815 -0.463
132 HG2 LYS 19 HG2 LYS 19 -1.983 1.979 -2.255
133 HG3 LYS 19 HG1 LYS 19 -1.685 0.513 -1.314
134 HD2 LYS 19 HD2 LYS 19 -4.085 0.031 -1.340
135 HD3 LYS 19 HD1 LYS 19 -4.357 1.482 -2.313
136 HE2 LYS 19 HE2 LYS 19 -2.458 -0.656 -3.162
137 HE3 LYS 19 HE1 LYS 19 -4.182 -0.765 -3.515
138 HZ1 LYS 19 HZ1 LYS 19 -4.060 1.257 -4.767
139 HZ2 LYS 19 HZ2 LYS 19 -2.851 0.213 -5.336
140 HZ3 LYS 19 HZ3 LYS 19 -2.442 1.510 -4.321
141 H MET 20 HN MET 20 -0.955 5.047 -0.548
142 HA MET 20 HA MET 20 0.583 4.130 -2.835
143 HB2 MET 20 HB2 MET 20 -1.036 6.070 -2.925
144 HB3 MET 20 HB1 MET 20 0.104 6.973 -1.924
145 HG2 MET 20 HG2 MET 20 0.347 7.545 -4.272
146 HG3 MET 20 HG1 MET 20 1.806 6.782 -3.645
147 HE1 MET 20 HE1 MET 20 1.800 5.514 -7.326
148 HE2 MET 20 HE2 MET 20 2.741 6.281 -6.046
149 HE3 MET 20 HE3 MET 20 1.348 7.114 -6.736
150 H ARG 21 HN ARG 21 1.165 6.298 -0.072
151 HA ARG 21 HA ARG 21 3.979 6.306 -0.452
152 HB2 ARG 21 HB2 ARG 21 2.234 7.083 1.880
153 HB3 ARG 21 HB1 ARG 21 3.986 7.224 1.925
154 HG2 ARG 21 HG2 ARG 21 3.867 8.692 -0.071
155 HG3 ARG 21 HG1 ARG 21 2.108 8.625 0.032
156 HD2 ARG 21 HD2 ARG 21 3.870 9.575 2.280
157 HD3 ARG 21 HD1 ARG 21 3.188 10.651 1.066
158 HE ARG 21 HE ARG 21 0.955 9.729 1.880
159 HH11 ARG 21 HH11 ARG 21 3.786 10.037 3.924
160 HH12 ARG 21 HH12 ARG 21 2.865 10.305 5.377
161 HH21 ARG 21 HH21 ARG 21 -0.258 10.051 3.779
162 HH22 ARG 21 HH22 ARG 21 0.554 10.256 5.305
163 H HIS 22 HN HIS 22 1.769 4.134 1.059
164 HA HIS 22 HA HIS 22 3.665 2.709 2.625
165 HB2 HIS 22 HB2 HIS 22 1.308 2.473 3.110
166 HB3 HIS 22 HB1 HIS 22 0.990 1.874 1.478
167 HD1 HIS 22 HD1 HIS 22 2.616 0.813 4.732
168 HD2 HIS 22 HD2 HIS 22 1.396 -0.784 1.091
169 HE1 HIS 22 HE1 HIS 22 2.815 -1.698 4.954
170 H LEU 23 HN LEU 23 2.388 2.272 -0.668
171 HA LEU 23 HA LEU 23 3.870 -0.044 -1.269
172 HB2 LEU 23 HB2 LEU 23 2.169 1.807 -2.664
173 HB3 LEU 23 HB1 LEU 23 3.588 1.456 -3.643
174 HG LEU 23 HG LEU 23 3.100 -0.939 -3.526
175 HD11 LEU 23 HD11 LEU 23 0.628 -0.153 -1.989
176 HD12 LEU 23 HD12 LEU 23 2.035 -0.973 -1.311
177 HD13 LEU 23 HD13 LEU 23 1.052 -1.779 -2.535
178 HD21 LEU 23 HD21 LEU 23 0.711 0.701 -4.359
179 HD22 LEU 23 HD22 LEU 23 1.078 -0.943 -4.889
180 HD23 LEU 23 HD23 LEU 23 2.145 0.389 -5.340
181 H GLU 24 HN GLU 24 4.621 3.374 -1.391
182 HA GLU 24 HA GLU 24 7.200 3.151 -2.543
183 HB2 GLU 24 HB2 GLU 24 6.060 5.194 -0.627
184 HB3 GLU 24 HB1 GLU 24 7.602 5.363 -1.454
185 HG2 GLU 24 HG2 GLU 24 4.995 5.018 -2.910
186 HG3 GLU 24 HG1 GLU 24 5.656 6.596 -2.460
187 H THR 25 HN THR 25 5.983 2.637 0.686
188 HA THR 25 HA THR 25 8.483 2.699 2.044
189 HB THR 25 HB THR 25 5.927 1.288 2.859
190 HG1 THR 25 HG1 THR 25 5.872 3.669 2.460
191 HG21 THR 25 HG21 THR 25 8.265 2.229 4.527
192 HG22 THR 25 HG22 THR 25 7.905 0.551 4.123
193 HG23 THR 25 HG23 THR 25 6.792 1.472 5.134
194 H HIS 26 HN HIS 26 6.811 0.317 0.153
195 HA HIS 26 HA HIS 26 8.411 -1.885 1.100
196 HB2 HIS 26 HB2 HIS 26 6.405 -1.597 -1.131
197 HB3 HIS 26 HB1 HIS 26 7.379 -3.058 -0.949
198 HD1 HIS 26 HD1 HIS 26 7.022 -4.394 1.389
199 HD2 HIS 26 HD2 HIS 26 4.209 -1.453 0.487
200 HE1 HIS 26 HE1 HIS 26 4.993 -4.793 2.897
201 H ASP 27 HN ASP 27 8.958 0.713 -0.850
202 HA ASP 27 HA ASP 27 10.803 1.406 -1.956
203 HB2 ASP 27 HB2 ASP 27 12.230 0.286 -0.416
204 HB3 ASP 27 HB1 ASP 27 11.861 -1.288 -1.109
205 H THR 28 HN THR 28 10.540 -2.046 -2.803
206 HA THR 28 HA THR 28 11.157 -1.406 -5.555
207 HB THR 28 HB THR 28 10.443 -4.103 -4.395
208 HG1 THR 28 HG1 THR 28 12.624 -2.509 -3.975
209 HG21 THR 28 HG21 THR 28 12.054 -3.292 -6.823
210 HG22 THR 28 HG22 THR 28 10.435 -3.995 -6.843
211 HG23 THR 28 HG23 THR 28 11.803 -4.947 -6.266
212 H ASP 29 HN ASP 29 9.657 -0.829 -6.959
213 HA ASP 29 HA ASP 29 6.847 -1.368 -6.422
214 HB2 ASP 29 HB2 ASP 29 6.389 0.197 -8.244
215 HB3 ASP 29 HB1 ASP 29 7.531 0.907 -7.107
216 H LYS 30 HN LYS 30 9.384 -2.684 -8.209
217 HA LYS 30 HA LYS 30 7.709 -3.832 -10.288
218 HB2 LYS 30 HB2 LYS 30 10.662 -4.117 -9.698
219 HB3 LYS 30 HB1 LYS 30 9.846 -4.833 -11.080
220 HG2 LYS 30 HG2 LYS 30 9.889 -1.877 -10.548
221 HG3 LYS 30 HG1 LYS 30 11.105 -2.705 -11.520
222 HD2 LYS 30 HD2 LYS 30 9.327 -3.509 -13.020
223 HD3 LYS 30 HD1 LYS 30 8.141 -2.617 -12.064
224 HE2 LYS 30 HE2 LYS 30 10.516 -1.246 -13.275
225 HE3 LYS 30 HE1 LYS 30 9.055 -1.539 -14.218
226 HZ1 LYS 30 HZ1 LYS 30 8.923 -0.170 -11.592
227 HZ2 LYS 30 HZ2 LYS 30 7.813 -0.137 -12.872
228 HZ3 LYS 30 HZ3 LYS 30 9.289 0.684 -13.013
Start of MODEL 11
1 H1 MET 1 HT1 MET 1 -15.968 4.194 -2.573
2 H2 MET 1 HT2 MET 1 -14.512 3.499 -3.092
3 H3 MET 1 HT3 MET 1 -15.007 3.321 -1.482
4 HA MET 1 HA MET 1 -16.869 1.990 -2.124
5 HB2 MET 1 HB2 MET 1 -17.305 3.081 -4.285
6 HB3 MET 1 HB1 MET 1 -15.832 2.380 -4.943
7 HG2 MET 1 HG2 MET 1 -16.806 0.126 -4.500
8 HG3 MET 1 HG1 MET 1 -18.311 0.929 -4.060
9 HE1 MET 1 HE1 MET 1 -16.437 1.089 -8.274
10 HE2 MET 1 HE2 MET 1 -15.759 0.160 -6.939
11 HE3 MET 1 HE3 MET 1 -15.749 1.924 -6.879
12 H LYS 2 HN LYS 2 -13.780 1.866 -3.879
13 HA LYS 2 HA LYS 2 -13.663 -1.018 -3.552
14 HB2 LYS 2 HB2 LYS 2 -13.037 0.229 -5.681
15 HB3 LYS 2 HB1 LYS 2 -11.608 0.794 -4.826
16 HG2 LYS 2 HG2 LYS 2 -10.966 -1.580 -4.465
17 HG3 LYS 2 HG1 LYS 2 -12.326 -2.052 -5.484
18 HD2 LYS 2 HD2 LYS 2 -11.332 -0.569 -7.273
19 HD3 LYS 2 HD1 LYS 2 -9.892 -0.466 -6.262
20 HE2 LYS 2 HE2 LYS 2 -11.109 -2.955 -7.443
21 HE3 LYS 2 HE1 LYS 2 -9.589 -2.199 -7.912
22 HZ1 LYS 2 HZ1 LYS 2 -9.242 -4.130 -6.506
23 HZ2 LYS 2 HZ2 LYS 2 -10.166 -3.433 -5.271
24 HZ3 LYS 2 HZ3 LYS 2 -8.695 -2.729 -5.727
25 HA PRO 3 HA PRO 3 -10.698 -0.666 -0.179
26 HB2 PRO 3 HB2 PRO 3 -10.349 -3.521 -0.285
27 HB3 PRO 3 HB1 PRO 3 -11.249 -2.578 0.912
28 HG2 PRO 3 HG2 PRO 3 -12.421 -4.301 -0.867
29 HG3 PRO 3 HG1 PRO 3 -13.241 -2.911 -0.137
30 HD2 PRO 3 HD2 PRO 3 -11.955 -3.143 -2.834
31 HD3 PRO 3 HD1 PRO 3 -13.516 -2.406 -2.398
32 H TYR 4 HN TYR 4 -8.615 -0.338 -0.364
33 HA TYR 4 HA TYR 4 -7.340 -1.143 -2.868
34 HB2 TYR 4 HB2 TYR 4 -6.636 1.073 -0.928
35 HB3 TYR 4 HB1 TYR 4 -5.809 0.751 -2.457
36 HD1 TYR 4 HD2 TYR 4 -7.293 0.785 -4.589
37 HD2 TYR 4 HD1 TYR 4 -8.428 2.544 -0.887
38 HE1 TYR 4 HE2 TYR 4 -8.917 2.202 -5.770
39 HE2 TYR 4 HE1 TYR 4 -10.064 3.963 -2.053
40 HH TYR 4 HH TYR 4 -10.331 4.894 -4.440
41 H GLN 5 HN GLN 5 -6.250 -2.976 -2.657
42 HA GLN 5 HA GLN 5 -4.967 -3.667 -0.146
43 HB2 GLN 5 HB2 GLN 5 -5.131 -5.200 -2.748
44 HB3 GLN 5 HB1 GLN 5 -4.524 -5.829 -1.222
45 HG2 GLN 5 HG2 GLN 5 -6.718 -5.584 -0.223
46 HG3 GLN 5 HG1 GLN 5 -7.335 -4.886 -1.721
47 HE21 GLN 5 HE21 GLN 5 -5.747 -6.708 -3.376
48 HE22 GLN 5 HE22 GLN 5 -6.553 -8.236 -3.294
49 H CYS 6 HN CYS 6 -2.735 -4.419 -0.042
50 HA CYS 6 HA CYS 6 -0.940 -2.863 -1.742
51 HB2 CYS 6 HB2 CYS 6 -0.730 -3.061 0.764
52 HB3 CYS 6 HB1 CYS 6 -0.381 -4.755 0.536
53 H ASP 7 HN ASP 7 -0.075 -3.794 -3.549
54 HA ASP 7 HA ASP 7 -0.921 -6.413 -4.251
55 HB2 ASP 7 HB2 ASP 7 0.877 -4.438 -5.643
56 HB3 ASP 7 HB1 ASP 7 0.495 -6.022 -6.323
57 H TYR 8 HN TYR 8 1.558 -5.611 -2.248
58 HA TYR 8 HA TYR 8 3.135 -7.975 -3.038
59 HB2 TYR 8 HB2 TYR 8 3.760 -5.919 -0.895
60 HB3 TYR 8 HB1 TYR 8 4.803 -7.244 -1.397
61 HD1 TYR 8 HD2 TYR 8 4.044 -6.710 -4.414
62 HD2 TYR 8 HD1 TYR 8 5.578 -4.305 -1.264
63 HE1 TYR 8 HE2 TYR 8 5.102 -5.250 -6.067
64 HE2 TYR 8 HE1 TYR 8 6.648 -2.822 -2.910
65 HH TYR 8 HH TYR 8 5.952 -2.961 -6.261
66 H CYS 9 HN CYS 9 0.788 -6.783 -0.900
67 HA CYS 9 HA CYS 9 1.548 -8.679 1.221
68 HB2 CYS 9 HB2 CYS 9 0.325 -5.959 1.215
69 HB3 CYS 9 HB1 CYS 9 0.318 -6.952 2.641
70 H GLY 10 HN GLY 10 -1.216 -7.299 -0.522
71 HA2 GLY 10 HA2 GLY 10 -3.287 -8.359 -0.874
72 HA3 GLY 10 HA1 GLY 10 -2.871 -9.537 0.371
73 H ARG 11 HN ARG 11 -2.037 -7.007 1.991
74 HA ARG 11 HA ARG 11 -4.381 -6.884 3.558
75 HB2 ARG 11 HB2 ARG 11 -2.237 -6.565 4.604
76 HB3 ARG 11 HB1 ARG 11 -1.862 -5.217 3.529
77 HG2 ARG 11 HG2 ARG 11 -3.592 -3.890 4.544
78 HG3 ARG 11 HG1 ARG 11 -4.065 -5.236 5.581
79 HD2 ARG 11 HD2 ARG 11 -1.953 -5.167 6.723
80 HD3 ARG 11 HD1 ARG 11 -1.329 -3.958 5.590
81 HE ARG 11 HE ARG 11 -3.713 -3.146 6.995
82 HH11 ARG 11 HH11 ARG 11 -0.216 -3.323 7.197
83 HH12 ARG 11 HH12 ARG 11 -0.078 -1.903 8.192
84 HH21 ARG 11 HH21 ARG 11 -3.546 -1.316 8.314
85 HH22 ARG 11 HH22 ARG 11 -1.981 -0.777 8.864
86 H SER 12 HN SER 12 -5.960 -5.343 3.709
87 HA SER 12 HA SER 12 -6.188 -3.589 1.379
88 HB2 SER 12 HB2 SER 12 -8.269 -4.268 3.468
89 HB3 SER 12 HB1 SER 12 -8.545 -3.464 1.922
90 HG SER 12 HG SER 12 -7.266 -5.755 1.463
91 H PHE 13 HN PHE 13 -5.732 -1.525 1.528
92 HA PHE 13 HA PHE 13 -5.765 -0.187 4.142
93 HB2 PHE 13 HB2 PHE 13 -4.535 0.693 1.520
94 HB3 PHE 13 HB1 PHE 13 -4.412 1.551 3.061
95 HD1 PHE 13 HD2 PHE 13 -3.268 -1.348 1.125
96 HD2 PHE 13 HD1 PHE 13 -2.984 0.735 4.822
97 HE1 PHE 13 HE2 PHE 13 -1.231 -2.623 1.688
98 HE2 PHE 13 HE1 PHE 13 -0.959 -0.526 5.387
99 HZ PHE 13 HZ PHE 13 -0.098 -2.296 3.789
100 H SER 14 HN SER 14 -7.007 1.549 4.530
101 HA SER 14 HA SER 14 -9.381 1.741 2.910
102 HB2 SER 14 HB2 SER 14 -10.059 3.382 4.734
103 HB3 SER 14 HB1 SER 14 -9.721 1.734 5.269
104 HG SER 14 HG SER 14 -7.919 3.943 5.391
105 H ASP 15 HN ASP 15 -6.455 3.006 2.456
106 HA ASP 15 HA ASP 15 -7.541 5.557 1.455
107 HB2 ASP 15 HB2 ASP 15 -4.960 5.261 3.008
108 HB3 ASP 15 HB1 ASP 15 -5.531 6.737 2.246
109 HA PRO 16 HA PRO 16 -5.564 3.888 -2.183
110 HB2 PRO 16 HB2 PRO 16 -5.947 6.162 -3.701
111 HB3 PRO 16 HB1 PRO 16 -7.149 4.885 -3.484
112 HG2 PRO 16 HG2 PRO 16 -6.905 7.521 -2.094
113 HG3 PRO 16 HG1 PRO 16 -8.362 6.682 -2.660
114 HD2 PRO 16 HD2 PRO 16 -7.644 6.697 -0.069
115 HD3 PRO 16 HD1 PRO 16 -8.424 5.283 -0.819
116 H THR 17 HN THR 17 -4.863 7.182 -1.031
117 HA THR 17 HA THR 17 -2.321 7.228 -2.368
118 HB THR 17 HB THR 17 -3.490 9.132 -0.326
119 HG1 THR 17 HG1 THR 17 -4.040 10.360 -2.152
120 HG21 THR 17 HG21 THR 17 -1.035 9.274 -0.458
121 HG22 THR 17 HG22 THR 17 -1.807 10.716 -1.116
122 HG23 THR 17 HG23 THR 17 -1.148 9.494 -2.206
123 H SER 18 HN SER 18 -3.525 6.500 0.853
124 HA SER 18 HA SER 18 -0.929 6.529 2.046
125 HB2 SER 18 HB2 SER 18 -3.005 6.881 3.384
126 HB3 SER 18 HB1 SER 18 -3.453 5.205 3.080
127 HG SER 18 HG SER 18 -1.905 4.520 4.424
128 H LYS 19 HN LYS 19 -3.049 4.051 0.733
129 HA LYS 19 HA LYS 19 -1.395 1.843 1.095
130 HB2 LYS 19 HB2 LYS 19 -3.301 1.085 0.144
131 HB3 LYS 19 HB1 LYS 19 -3.604 2.604 -0.687
132 HG2 LYS 19 HG2 LYS 19 -1.842 1.918 -2.359
133 HG3 LYS 19 HG1 LYS 19 -1.824 0.337 -1.579
134 HD2 LYS 19 HD2 LYS 19 -4.054 -0.101 -2.203
135 HD3 LYS 19 HD1 LYS 19 -4.338 1.582 -2.653
136 HE2 LYS 19 HE2 LYS 19 -4.078 0.211 -4.634
137 HE3 LYS 19 HE1 LYS 19 -2.741 1.349 -4.493
138 HZ1 LYS 19 HZ1 LYS 19 -1.379 -0.448 -3.589
139 HZ2 LYS 19 HZ2 LYS 19 -1.953 -0.823 -5.136
140 HZ3 LYS 19 HZ3 LYS 19 -2.668 -1.532 -3.772
141 H MET 20 HN MET 20 -1.052 4.637 -0.916
142 HA MET 20 HA MET 20 0.756 3.294 -2.769
143 HB2 MET 20 HB2 MET 20 -0.457 6.037 -2.649
144 HB3 MET 20 HB1 MET 20 0.953 5.734 -3.679
145 HG2 MET 20 HG2 MET 20 -0.349 3.851 -4.707
146 HG3 MET 20 HG1 MET 20 -1.753 4.444 -3.822
147 HE1 MET 20 HE1 MET 20 0.829 5.139 -6.683
148 HE2 MET 20 HE2 MET 20 1.180 6.438 -5.543
149 HE3 MET 20 HE3 MET 20 0.457 6.809 -7.109
150 H ARG 21 HN ARG 21 0.865 5.911 -0.411
151 HA ARG 21 HA ARG 21 3.650 6.285 -0.444
152 HB2 ARG 21 HB2 ARG 21 2.017 7.842 0.587
153 HB3 ARG 21 HB1 ARG 21 1.734 6.671 1.865
154 HG2 ARG 21 HG2 ARG 21 3.924 6.938 2.719
155 HG3 ARG 21 HG1 ARG 21 4.436 7.850 1.296
156 HD2 ARG 21 HD2 ARG 21 2.341 8.739 3.271
157 HD3 ARG 21 HD1 ARG 21 4.016 9.290 3.253
158 HE ARG 21 HE ARG 21 3.523 10.211 0.999
159 HH11 ARG 21 HH11 ARG 21 0.890 9.598 3.234
160 HH12 ARG 21 HH12 ARG 21 -0.144 10.809 2.531
161 HH21 ARG 21 HH21 ARG 21 2.136 11.784 0.060
162 HH22 ARG 21 HH22 ARG 21 0.550 12.034 0.737
163 H HIS 22 HN HIS 22 1.574 4.001 1.181
164 HA HIS 22 HA HIS 22 3.460 2.765 2.852
165 HB2 HIS 22 HB2 HIS 22 1.145 2.286 3.181
166 HB3 HIS 22 HB1 HIS 22 0.947 1.765 1.505
167 HD1 HIS 22 HD1 HIS 22 2.374 0.592 4.805
168 HD2 HIS 22 HD2 HIS 22 1.509 -0.848 1.001
169 HE1 HIS 22 HE1 HIS 22 2.637 -1.921 4.918
170 H LEU 23 HN LEU 23 2.480 2.053 -0.497
171 HA LEU 23 HA LEU 23 4.163 -0.143 -0.909
172 HB2 LEU 23 HB2 LEU 23 2.629 1.709 -2.578
173 HB3 LEU 23 HB1 LEU 23 4.060 1.068 -3.374
174 HG LEU 23 HG LEU 23 2.104 -0.277 -3.902
175 HD11 LEU 23 HD11 LEU 23 4.253 -1.389 -3.787
176 HD12 LEU 23 HD12 LEU 23 2.959 -2.467 -3.264
177 HD13 LEU 23 HD13 LEU 23 4.012 -1.709 -2.068
178 HD21 LEU 23 HD21 LEU 23 1.908 -0.728 -0.930
179 HD22 LEU 23 HD22 LEU 23 1.006 -1.627 -2.150
180 HD23 LEU 23 HD23 LEU 23 0.740 0.108 -1.955
181 H GLU 24 HN GLU 24 4.752 3.316 -1.279
182 HA GLU 24 HA GLU 24 7.369 3.150 -2.309
183 HB2 GLU 24 HB2 GLU 24 6.240 5.275 -0.480
184 HB3 GLU 24 HB1 GLU 24 7.636 5.441 -1.532
185 HG2 GLU 24 HG2 GLU 24 6.192 5.166 -3.488
186 HG3 GLU 24 HG1 GLU 24 4.789 5.022 -2.420
187 H THR 25 HN THR 25 6.076 2.925 0.933
188 HA THR 25 HA THR 25 8.614 3.117 2.258
189 HB THR 25 HB THR 25 6.048 2.028 3.429
190 HG1 THR 25 HG1 THR 25 5.833 4.171 2.419
191 HG21 THR 25 HG21 THR 25 8.392 3.463 4.692
192 HG22 THR 25 HG22 THR 25 8.089 1.728 4.781
193 HG23 THR 25 HG23 THR 25 6.967 2.859 5.537
194 H HIS 26 HN HIS 26 7.076 0.661 0.523
195 HA HIS 26 HA HIS 26 8.284 -1.541 1.941
196 HB2 HIS 26 HB2 HIS 26 6.703 -1.268 -0.580
197 HB3 HIS 26 HB1 HIS 26 7.745 -2.682 -0.411
198 HD1 HIS 26 HD1 HIS 26 7.221 -4.245 1.732
199 HD2 HIS 26 HD2 HIS 26 4.311 -1.421 0.749
200 HE1 HIS 26 HE1 HIS 26 5.056 -4.933 2.913
201 H ASP 27 HN ASP 27 9.109 0.628 -0.598
202 HA ASP 27 HA ASP 27 10.942 1.001 -1.857
203 HB2 ASP 27 HB2 ASP 27 12.278 -0.474 0.413
204 HB3 ASP 27 HB1 ASP 27 13.166 0.283 -0.904
205 H THR 28 HN THR 28 12.195 -2.033 -0.680
206 HA THR 28 HA THR 28 11.514 -3.947 -2.397
207 HB THR 28 HB THR 28 12.103 -2.312 -4.273
208 HG1 THR 28 HG1 THR 28 13.639 -4.193 -5.166
209 HG21 THR 28 HG21 THR 28 14.140 -1.364 -3.357
210 HG22 THR 28 HG22 THR 28 14.491 -2.169 -4.888
211 HG23 THR 28 HG23 THR 28 14.910 -2.953 -3.365
212 H ASP 29 HN ASP 29 13.894 -2.268 -0.654
213 HA ASP 29 HA ASP 29 15.962 -4.255 -0.716
214 HB2 ASP 29 HB2 ASP 29 16.539 -1.917 -0.471
215 HB3 ASP 29 HB1 ASP 29 15.551 -1.782 0.977
216 H LYS 30 HN LYS 30 13.114 -3.795 1.131
217 HA LYS 30 HA LYS 30 14.197 -5.191 3.458
218 HB2 LYS 30 HB2 LYS 30 11.468 -3.926 3.141
219 HB3 LYS 30 HB1 LYS 30 12.212 -4.473 4.638
220 HG2 LYS 30 HG2 LYS 30 13.007 -2.129 2.931
221 HG3 LYS 30 HG1 LYS 30 12.385 -2.110 4.582
222 HD2 LYS 30 HD2 LYS 30 14.398 -3.159 5.401
223 HD3 LYS 30 HD1 LYS 30 15.004 -3.365 3.757
224 HE2 LYS 30 HE2 LYS 30 14.908 -0.853 3.537
225 HE3 LYS 30 HE1 LYS 30 14.602 -0.799 5.272
226 HZ1 LYS 30 HZ1 LYS 30 16.935 -0.492 4.840
227 HZ2 LYS 30 HZ2 LYS 30 17.005 -1.931 3.943
228 HZ3 LYS 30 HZ3 LYS 30 16.710 -1.985 5.611
Start of MODEL 12
1 H1 MET 1 HT1 MET 1 -18.437 -1.943 -0.818
2 H2 MET 1 HT2 MET 1 -17.232 -2.981 -0.230
3 H3 MET 1 HT3 MET 1 -17.879 -3.224 -1.776
4 HA MET 1 HA MET 1 -16.955 -1.151 -2.546
5 HB2 MET 1 HB2 MET 1 -15.650 -1.027 0.186
6 HB3 MET 1 HB1 MET 1 -15.364 0.081 -1.143
7 HG2 MET 1 HG2 MET 1 -16.771 1.233 0.297
8 HG3 MET 1 HG1 MET 1 -17.831 0.654 -0.984
9 HE1 MET 1 HE1 MET 1 -20.034 0.571 2.287
10 HE2 MET 1 HE2 MET 1 -19.853 1.267 0.676
11 HE3 MET 1 HE3 MET 1 -18.724 1.705 1.959
12 H LYS 2 HN LYS 2 -14.738 -1.041 -3.344
13 HA LYS 2 HA LYS 2 -13.202 -3.473 -2.713
14 HB2 LYS 2 HB2 LYS 2 -11.981 -3.067 -4.836
15 HB3 LYS 2 HB1 LYS 2 -13.694 -3.374 -5.072
16 HG2 LYS 2 HG2 LYS 2 -14.129 -1.100 -5.562
17 HG3 LYS 2 HG1 LYS 2 -12.532 -0.601 -4.997
18 HD2 LYS 2 HD2 LYS 2 -12.621 -0.632 -7.436
19 HD3 LYS 2 HD1 LYS 2 -11.493 -1.846 -6.831
20 HE2 LYS 2 HE2 LYS 2 -13.291 -3.549 -7.087
21 HE3 LYS 2 HE1 LYS 2 -14.301 -2.311 -7.831
22 HZ1 LYS 2 HZ1 LYS 2 -12.614 -2.051 -9.564
23 HZ2 LYS 2 HZ2 LYS 2 -13.207 -3.642 -9.505
24 HZ3 LYS 2 HZ3 LYS 2 -11.684 -3.280 -8.852
25 HA PRO 3 HA PRO 3 -10.564 -0.487 -0.711
26 HB2 PRO 3 HB2 PRO 3 -9.215 -2.670 0.573
27 HB3 PRO 3 HB1 PRO 3 -10.425 -1.583 1.271
28 HG2 PRO 3 HG2 PRO 3 -10.822 -4.276 0.824
29 HG3 PRO 3 HG1 PRO 3 -12.122 -3.076 0.942
30 HD2 PRO 3 HD2 PRO 3 -10.834 -4.239 -1.501
31 HD3 PRO 3 HD1 PRO 3 -12.559 -3.923 -1.183
32 H TYR 4 HN TYR 4 -8.255 -0.127 -0.595
33 HA TYR 4 HA TYR 4 -6.986 -1.037 -3.043
34 HB2 TYR 4 HB2 TYR 4 -6.215 1.107 -1.053
35 HB3 TYR 4 HB1 TYR 4 -5.311 0.738 -2.526
36 HD1 TYR 4 HD1 TYR 4 -8.383 2.217 -1.168
37 HD2 TYR 4 HD2 TYR 4 -6.177 1.357 -4.704
38 HE1 TYR 4 HE1 TYR 4 -9.838 3.740 -2.438
39 HE2 TYR 4 HE2 TYR 4 -7.624 2.878 -5.985
40 HH TYR 4 HH TYR 4 -9.990 3.778 -5.781
41 H GLN 5 HN GLN 5 -6.529 -3.157 -2.441
42 HA GLN 5 HA GLN 5 -5.019 -3.798 -0.112
43 HB2 GLN 5 HB2 GLN 5 -4.957 -6.058 -1.004
44 HB3 GLN 5 HB1 GLN 5 -6.571 -5.393 -1.195
45 HG2 GLN 5 HG2 GLN 5 -6.345 -6.317 -3.239
46 HG3 GLN 5 HG1 GLN 5 -5.602 -4.757 -3.585
47 HE21 GLN 5 HE21 GLN 5 -4.340 -5.576 -5.240
48 HE22 GLN 5 HE22 GLN 5 -2.977 -6.597 -4.948
49 H CYS 6 HN CYS 6 -2.866 -4.398 0.061
50 HA CYS 6 HA CYS 6 -1.093 -3.021 -1.754
51 HB2 CYS 6 HB2 CYS 6 -0.835 -3.041 0.718
52 HB3 CYS 6 HB1 CYS 6 -0.535 -4.762 0.637
53 H ASP 7 HN ASP 7 -0.131 -3.934 -3.448
54 HA ASP 7 HA ASP 7 -0.902 -6.462 -4.348
55 HB2 ASP 7 HB2 ASP 7 -0.104 -4.477 -5.722
56 HB3 ASP 7 HB1 ASP 7 1.541 -4.986 -5.325
57 H TYR 8 HN TYR 8 1.579 -5.682 -2.137
58 HA TYR 8 HA TYR 8 3.083 -8.139 -2.745
59 HB2 TYR 8 HB2 TYR 8 3.713 -5.929 -0.767
60 HB3 TYR 8 HB1 TYR 8 4.753 -7.299 -1.154
61 HD1 TYR 8 HD2 TYR 8 5.874 -7.414 -3.346
62 HD2 TYR 8 HD1 TYR 8 3.641 -3.992 -2.160
63 HE1 TYR 8 HE2 TYR 8 6.941 -6.111 -5.131
64 HE2 TYR 8 HE1 TYR 8 4.694 -2.677 -3.952
65 HH TYR 8 HH TYR 8 6.561 -4.142 -6.443
66 H CYS 9 HN CYS 9 0.788 -6.773 -0.660
67 HA CYS 9 HA CYS 9 1.562 -8.492 1.593
68 HB2 CYS 9 HB2 CYS 9 0.273 -5.830 1.318
69 HB3 CYS 9 HB1 CYS 9 0.078 -6.730 2.787
70 H GLY 10 HN GLY 10 -1.209 -7.427 -0.331
71 HA2 GLY 10 HA2 GLY 10 -3.260 -8.519 -0.587
72 HA3 GLY 10 HA1 GLY 10 -2.797 -9.634 0.707
73 H ARG 11 HN ARG 11 -2.010 -6.953 2.132
74 HA ARG 11 HA ARG 11 -4.325 -6.762 3.748
75 HB2 ARG 11 HB2 ARG 11 -2.169 -6.342 4.720
76 HB3 ARG 11 HB1 ARG 11 -1.829 -5.070 3.542
77 HG2 ARG 11 HG2 ARG 11 -2.375 -3.995 5.571
78 HG3 ARG 11 HG1 ARG 11 -3.769 -3.813 4.507
79 HD2 ARG 11 HD2 ARG 11 -4.674 -4.382 6.600
80 HD3 ARG 11 HD1 ARG 11 -4.721 -5.873 5.657
81 HE ARG 11 HE ARG 11 -2.448 -5.414 7.448
82 HH11 ARG 11 HH11 ARG 11 -5.345 -7.213 6.647
83 HH12 ARG 11 HH12 ARG 11 -5.094 -8.413 7.883
84 HH21 ARG 11 HH21 ARG 11 -2.111 -7.001 9.057
85 HH22 ARG 11 HH22 ARG 11 -3.268 -8.285 9.263
86 H SER 12 HN SER 12 -6.032 -5.465 3.584
87 HA SER 12 HA SER 12 -6.221 -3.759 1.237
88 HB2 SER 12 HB2 SER 12 -8.328 -4.487 3.281
89 HB3 SER 12 HB1 SER 12 -8.602 -3.724 1.715
90 HG SER 12 HG SER 12 -7.208 -5.941 1.292
91 H PHE 13 HN PHE 13 -5.421 -1.751 1.485
92 HA PHE 13 HA PHE 13 -5.990 -0.265 3.948
93 HB2 PHE 13 HB2 PHE 13 -4.522 0.764 1.520
94 HB3 PHE 13 HB1 PHE 13 -4.479 1.398 3.166
95 HD1 PHE 13 HD1 PHE 13 -3.295 0.026 4.956
96 HD2 PHE 13 HD2 PHE 13 -3.031 -0.854 0.802
97 HE1 PHE 13 HE1 PHE 13 -1.258 -1.306 5.364
98 HE2 PHE 13 HE2 PHE 13 -1.013 -2.177 1.205
99 HZ PHE 13 HZ PHE 13 -0.095 -2.420 3.469
100 H SER 14 HN SER 14 -7.458 1.342 4.059
101 HA SER 14 HA SER 14 -9.338 1.456 1.839
102 HB2 SER 14 HB2 SER 14 -9.551 2.684 4.596
103 HB3 SER 14 HB1 SER 14 -10.860 2.476 3.430
104 HG SER 14 HG SER 14 -9.401 0.455 4.805
105 H ASP 15 HN ASP 15 -6.591 2.973 2.457
106 HA ASP 15 HA ASP 15 -7.594 5.552 1.409
107 HB2 ASP 15 HB2 ASP 15 -5.351 5.067 3.370
108 HB3 ASP 15 HB1 ASP 15 -5.562 6.591 2.515
109 HA PRO 16 HA PRO 16 -5.231 4.034 -2.077
110 HB2 PRO 16 HB2 PRO 16 -5.612 6.330 -3.564
111 HB3 PRO 16 HB1 PRO 16 -6.735 4.969 -3.501
112 HG2 PRO 16 HG2 PRO 16 -6.810 7.562 -2.017
113 HG3 PRO 16 HG1 PRO 16 -8.142 6.650 -2.751
114 HD2 PRO 16 HD2 PRO 16 -7.704 6.607 -0.108
115 HD3 PRO 16 HD1 PRO 16 -8.262 5.157 -0.975
116 H THR 17 HN THR 17 -4.830 7.324 -0.810
117 HA THR 17 HA THR 17 -2.276 7.741 -2.004
118 HB THR 17 HB THR 17 -3.313 9.200 0.415
119 HG1 THR 17 HG1 THR 17 -3.930 10.028 -2.226
120 HG21 THR 17 HG21 THR 17 -1.620 10.051 -1.937
121 HG22 THR 17 HG22 THR 17 -1.056 9.764 -0.289
122 HG23 THR 17 HG23 THR 17 -2.149 11.105 -0.625
123 H SER 18 HN SER 18 -3.418 6.692 1.168
124 HA SER 18 HA SER 18 -0.809 6.732 2.333
125 HB2 SER 18 HB2 SER 18 -2.951 7.043 3.631
126 HB3 SER 18 HB1 SER 18 -3.287 5.333 3.372
127 HG SER 18 HG SER 18 -2.043 6.262 5.373
128 H LYS 19 HN LYS 19 -2.924 4.270 0.987
129 HA LYS 19 HA LYS 19 -1.228 2.073 1.411
130 HB2 LYS 19 HB2 LYS 19 -3.342 1.429 0.772
131 HB3 LYS 19 HB1 LYS 19 -3.517 2.729 -0.389
132 HG2 LYS 19 HG2 LYS 19 -1.601 0.507 -0.941
133 HG3 LYS 19 HG1 LYS 19 -3.331 0.250 -1.173
134 HD2 LYS 19 HD2 LYS 19 -3.434 2.079 -2.742
135 HD3 LYS 19 HD1 LYS 19 -1.749 2.493 -2.423
136 HE2 LYS 19 HE2 LYS 19 -1.103 0.248 -3.267
137 HE3 LYS 19 HE1 LYS 19 -2.788 -0.025 -3.710
138 HZ1 LYS 19 HZ1 LYS 19 -2.649 1.953 -5.144
139 HZ2 LYS 19 HZ2 LYS 19 -1.572 0.728 -5.615
140 HZ3 LYS 19 HZ3 LYS 19 -0.999 2.089 -4.781
141 H MET 20 HN MET 20 -0.937 4.813 -0.573
142 HA MET 20 HA MET 20 0.662 3.451 -2.605
143 HB2 MET 20 HB2 MET 20 -1.101 5.295 -3.060
144 HB3 MET 20 HB1 MET 20 0.157 6.411 -2.513
145 HG2 MET 20 HG2 MET 20 0.176 6.235 -4.925
146 HG3 MET 20 HG1 MET 20 1.661 5.564 -4.246
147 HE1 MET 20 HE1 MET 20 0.738 5.010 -7.256
148 HE2 MET 20 HE2 MET 20 1.096 3.286 -7.375
149 HE3 MET 20 HE3 MET 20 2.211 4.361 -6.532
150 H ARG 21 HN ARG 21 0.976 5.893 -0.082
151 HA ARG 21 HA ARG 21 3.791 6.211 -0.356
152 HB2 ARG 21 HB2 ARG 21 1.922 6.682 1.970
153 HB3 ARG 21 HB1 ARG 21 3.636 7.077 2.006
154 HG2 ARG 21 HG2 ARG 21 3.332 8.614 0.139
155 HG3 ARG 21 HG1 ARG 21 1.613 8.215 0.089
156 HD2 ARG 21 HD2 ARG 21 2.089 10.324 1.289
157 HD3 ARG 21 HD1 ARG 21 1.292 9.116 2.295
158 HE ARG 21 HE ARG 21 4.118 8.947 2.567
159 HH11 ARG 21 HH11 ARG 21 1.389 10.968 3.466
160 HH12 ARG 21 HH12 ARG 21 2.092 11.466 4.978
161 HH21 ARG 21 HH21 ARG 21 5.046 9.603 4.550
162 HH22 ARG 21 HH22 ARG 21 4.182 10.701 5.582
163 H HIS 22 HN HIS 22 1.705 4.058 1.464
164 HA HIS 22 HA HIS 22 3.662 2.623 2.862
165 HB2 HIS 22 HB2 HIS 22 1.323 2.312 3.366
166 HB3 HIS 22 HB1 HIS 22 0.990 1.769 1.718
167 HD1 HIS 22 HD1 HIS 22 2.271 0.565 5.025
168 HD2 HIS 22 HD2 HIS 22 1.732 -0.858 1.150
169 HE1 HIS 22 HE1 HIS 22 2.518 -1.948 5.147
170 H LEU 23 HN LEU 23 2.340 2.197 -0.400
171 HA LEU 23 HA LEU 23 3.836 -0.072 -1.110
172 HB2 LEU 23 HB2 LEU 23 1.859 1.282 -2.286
173 HB3 LEU 23 HB1 LEU 23 3.211 1.982 -3.169
174 HG LEU 23 HG LEU 23 3.908 -0.388 -3.743
175 HD11 LEU 23 HD11 LEU 23 2.666 -1.542 -2.006
176 HD12 LEU 23 HD12 LEU 23 2.142 -2.092 -3.598
177 HD13 LEU 23 HD13 LEU 23 1.144 -0.961 -2.682
178 HD21 LEU 23 HD21 LEU 23 2.308 -0.577 -5.552
179 HD22 LEU 23 HD22 LEU 23 2.764 1.112 -5.320
180 HD23 LEU 23 HD23 LEU 23 1.210 0.525 -4.728
181 H GLU 24 HN GLU 24 4.512 3.369 -1.303
182 HA GLU 24 HA GLU 24 6.961 3.272 -2.669
183 HB2 GLU 24 HB2 GLU 24 5.641 5.315 -2.333
184 HB3 GLU 24 HB1 GLU 24 5.923 5.224 -0.603
185 HG2 GLU 24 HG2 GLU 24 7.342 6.880 -1.503
186 HG3 GLU 24 HG1 GLU 24 8.348 5.501 -1.045
187 H THR 25 HN THR 25 6.101 2.915 0.722
188 HA THR 25 HA THR 25 8.820 2.954 1.652
189 HB THR 25 HB THR 25 6.431 1.945 3.202
190 HG1 THR 25 HG1 THR 25 6.111 4.101 2.222
191 HG21 THR 25 HG21 THR 25 7.684 2.790 5.129
192 HG22 THR 25 HG22 THR 25 8.981 3.325 4.059
193 HG23 THR 25 HG23 THR 25 8.631 1.604 4.230
194 H HIS 26 HN HIS 26 7.219 0.720 -0.131
195 HA HIS 26 HA HIS 26 7.918 -1.623 1.381
196 HB2 HIS 26 HB2 HIS 26 6.348 -1.099 -1.016
197 HB3 HIS 26 HB1 HIS 26 7.348 -2.548 -1.162
198 HD1 HIS 26 HD1 HIS 26 6.855 -4.517 0.508
199 HD2 HIS 26 HD2 HIS 26 4.274 -1.253 0.835
200 HE1 HIS 26 HE1 HIS 26 4.907 -5.223 2.017
201 H ASP 27 HN ASP 27 9.699 0.431 -0.602
202 HA ASP 27 HA ASP 27 11.617 -1.373 -1.608
203 HB2 ASP 27 HB2 ASP 27 11.828 1.486 -0.666
204 HB3 ASP 27 HB1 ASP 27 13.260 0.589 -1.149
205 H THR 28 HN THR 28 11.386 0.356 1.456
206 HA THR 28 HA THR 28 13.415 -1.443 2.592
207 HB THR 28 HB THR 28 12.564 1.109 3.921
208 HG1 THR 28 HG1 THR 28 13.037 1.738 1.788
209 HG21 THR 28 HG21 THR 28 14.091 -0.416 5.088
210 HG22 THR 28 HG22 THR 28 14.899 1.097 4.676
211 HG23 THR 28 HG23 THR 28 15.203 -0.354 3.720
212 H ASP 29 HN ASP 29 10.720 -2.278 2.293
213 HA ASP 29 HA ASP 29 9.429 -2.044 4.874
214 HB2 ASP 29 HB2 ASP 29 8.095 -2.235 2.796
215 HB3 ASP 29 HB1 ASP 29 8.772 -3.838 2.526
216 H LYS 30 HN LYS 30 10.590 -4.799 2.954
217 HA LYS 30 HA LYS 30 11.932 -5.836 5.308
218 HB2 LYS 30 HB2 LYS 30 11.032 -8.103 4.979
219 HB3 LYS 30 HB1 LYS 30 9.778 -6.953 5.409
220 HG2 LYS 30 HG2 LYS 30 9.054 -6.857 3.087
221 HG3 LYS 30 HG1 LYS 30 10.341 -7.976 2.631
222 HD2 LYS 30 HD2 LYS 30 9.361 -9.667 4.130
223 HD3 LYS 30 HD1 LYS 30 8.051 -8.550 4.509
224 HE2 LYS 30 HE2 LYS 30 7.452 -8.513 2.105
225 HE3 LYS 30 HE1 LYS 30 8.697 -9.727 1.809
226 HZ1 LYS 30 HZ1 LYS 30 7.524 -11.235 3.302
227 HZ2 LYS 30 HZ2 LYS 30 6.513 -10.736 2.035
228 HZ3 LYS 30 HZ3 LYS 30 6.333 -10.061 3.580
Start of MODEL 13
1 H1 MET 1 HT1 MET 1 -13.552 4.474 -0.293
2 H2 MET 1 HT2 MET 1 -14.974 3.793 0.319
3 H3 MET 1 HT3 MET 1 -14.934 5.440 -0.083
4 HA MET 1 HA MET 1 -16.102 4.262 -1.788
5 HB2 MET 1 HB2 MET 1 -13.298 4.986 -2.680
6 HB3 MET 1 HB1 MET 1 -14.679 4.777 -3.745
7 HG2 MET 1 HG2 MET 1 -15.801 6.656 -2.668
8 HG3 MET 1 HG1 MET 1 -14.413 6.870 -1.602
9 HE1 MET 1 HE1 MET 1 -11.607 7.878 -4.159
10 HE2 MET 1 HE2 MET 1 -12.003 6.251 -3.609
11 HE3 MET 1 HE3 MET 1 -11.992 7.591 -2.464
12 H LYS 2 HN LYS 2 -12.720 3.168 -1.924
13 HA LYS 2 HA LYS 2 -13.661 0.402 -2.150
14 HB2 LYS 2 HB2 LYS 2 -11.653 1.695 -4.010
15 HB3 LYS 2 HB1 LYS 2 -11.994 -0.026 -3.942
16 HG2 LYS 2 HG2 LYS 2 -14.366 0.528 -4.570
17 HG3 LYS 2 HG1 LYS 2 -13.811 2.179 -4.869
18 HD2 LYS 2 HD2 LYS 2 -12.742 -0.311 -6.195
19 HD3 LYS 2 HD1 LYS 2 -13.839 0.856 -6.932
20 HE2 LYS 2 HE2 LYS 2 -12.202 2.495 -7.077
21 HE3 LYS 2 HE1 LYS 2 -11.207 1.751 -5.825
22 HZ1 LYS 2 HZ1 LYS 2 -10.612 0.003 -7.324
23 HZ2 LYS 2 HZ2 LYS 2 -10.296 1.484 -8.085
24 HZ3 LYS 2 HZ3 LYS 2 -11.666 0.582 -8.518
25 HA PRO 3 HA PRO 3 -9.957 -0.120 0.319
26 HB2 PRO 3 HB2 PRO 3 -10.074 -2.923 0.247
27 HB3 PRO 3 HB1 PRO 3 -10.849 -1.877 1.448
28 HG2 PRO 3 HG2 PRO 3 -12.143 -3.496 -0.456
29 HG3 PRO 3 HG1 PRO 3 -12.888 -2.250 0.556
30 HD2 PRO 3 HD2 PRO 3 -11.987 -2.104 -2.279
31 HD3 PRO 3 HD1 PRO 3 -13.357 -1.292 -1.485
32 H TYR 4 HN TYR 4 -7.944 -0.078 -0.323
33 HA TYR 4 HA TYR 4 -7.256 -1.301 -2.896
34 HB2 TYR 4 HB2 TYR 4 -5.985 1.034 -1.449
35 HB3 TYR 4 HB1 TYR 4 -5.435 0.384 -3.000
36 HD1 TYR 4 HD2 TYR 4 -7.113 0.386 -4.934
37 HD2 TYR 4 HD1 TYR 4 -7.676 2.673 -1.391
38 HE1 TYR 4 HE2 TYR 4 -8.734 1.805 -6.116
39 HE2 TYR 4 HE1 TYR 4 -9.312 4.092 -2.562
40 HH TYR 4 HH TYR 4 -9.778 4.745 -5.020
41 H GLN 5 HN GLN 5 -6.398 -3.198 -2.594
42 HA GLN 5 HA GLN 5 -4.977 -3.896 -0.208
43 HB2 GLN 5 HB2 GLN 5 -4.849 -6.118 -1.120
44 HB3 GLN 5 HB1 GLN 5 -6.464 -5.492 -1.391
45 HG2 GLN 5 HG2 GLN 5 -4.280 -5.602 -3.459
46 HG3 GLN 5 HG1 GLN 5 -5.589 -6.768 -3.299
47 HE21 GLN 5 HE21 GLN 5 -4.669 -3.616 -4.366
48 HE22 GLN 5 HE22 GLN 5 -6.160 -3.224 -5.161
49 H CYS 6 HN CYS 6 -2.848 -4.413 0.027
50 HA CYS 6 HA CYS 6 -1.023 -3.157 -1.836
51 HB2 CYS 6 HB2 CYS 6 -0.751 -2.916 0.591
52 HB3 CYS 6 HB1 CYS 6 -0.605 -4.655 0.746
53 H ASP 7 HN ASP 7 -0.158 -4.259 -3.501
54 HA ASP 7 HA ASP 7 -0.774 -6.976 -3.945
55 HB2 ASP 7 HB2 ASP 7 1.132 -5.105 -5.348
56 HB3 ASP 7 HB1 ASP 7 0.764 -6.734 -5.923
57 H TYR 8 HN TYR 8 1.508 -5.770 -1.882
58 HA TYR 8 HA TYR 8 3.313 -8.062 -2.300
59 HB2 TYR 8 HB2 TYR 8 3.804 -5.560 -0.661
60 HB3 TYR 8 HB1 TYR 8 4.964 -6.858 -0.958
61 HD1 TYR 8 HD2 TYR 8 5.889 -7.159 -3.260
62 HD2 TYR 8 HD1 TYR 8 3.498 -3.809 -2.198
63 HE1 TYR 8 HE2 TYR 8 6.720 -5.953 -5.231
64 HE2 TYR 8 HE1 TYR 8 4.326 -2.585 -4.156
65 HH TYR 8 HH TYR 8 6.116 -4.116 -6.676
66 H CYS 9 HN CYS 9 0.860 -6.761 -0.404
67 HA CYS 9 HA CYS 9 1.685 -8.263 1.990
68 HB2 CYS 9 HB2 CYS 9 0.217 -5.724 1.527
69 HB3 CYS 9 HB1 CYS 9 -0.095 -6.613 2.991
70 H GLY 10 HN GLY 10 -1.063 -7.556 -0.136
71 HA2 GLY 10 HA2 GLY 10 -2.990 -8.847 -0.443
72 HA3 GLY 10 HA1 GLY 10 -2.507 -9.852 0.928
73 H ARG 11 HN ARG 11 -2.093 -6.824 1.985
74 HA ARG 11 HA ARG 11 -4.590 -6.851 3.467
75 HB2 ARG 11 HB2 ARG 11 -2.536 -6.611 4.736
76 HB3 ARG 11 HB1 ARG 11 -2.048 -5.232 3.753
77 HG2 ARG 11 HG2 ARG 11 -2.839 -4.403 5.831
78 HG3 ARG 11 HG1 ARG 11 -4.048 -4.025 4.603
79 HD2 ARG 11 HD2 ARG 11 -5.351 -5.986 5.306
80 HD3 ARG 11 HD1 ARG 11 -4.153 -6.312 6.567
81 HE ARG 11 HE ARG 11 -5.246 -3.657 6.706
82 HH11 ARG 11 HH11 ARG 11 -5.760 -7.006 7.599
83 HH12 ARG 11 HH12 ARG 11 -6.772 -6.615 8.963
84 HH21 ARG 11 HH21 ARG 11 -6.594 -3.150 8.475
85 HH22 ARG 11 HH22 ARG 11 -7.295 -4.428 9.423
86 H SER 12 HN SER 12 -6.189 -5.417 3.141
87 HA SER 12 HA SER 12 -5.867 -3.531 0.945
88 HB2 SER 12 HB2 SER 12 -8.358 -4.382 2.441
89 HB3 SER 12 HB1 SER 12 -8.319 -3.369 0.998
90 HG SER 12 HG SER 12 -8.084 -5.087 -0.195
91 H PHE 13 HN PHE 13 -5.419 -1.487 1.307
92 HA PHE 13 HA PHE 13 -6.106 -0.276 3.898
93 HB2 PHE 13 HB2 PHE 13 -4.460 1.036 1.746
94 HB3 PHE 13 HB1 PHE 13 -4.456 1.355 3.481
95 HD1 PHE 13 HD1 PHE 13 -3.635 -0.597 4.976
96 HD2 PHE 13 HD2 PHE 13 -2.752 -0.270 0.829
97 HE1 PHE 13 HE1 PHE 13 -1.699 -2.073 5.279
98 HE2 PHE 13 HE2 PHE 13 -0.803 -1.752 1.126
99 HZ PHE 13 HZ PHE 13 -0.240 -2.661 3.226
100 H SER 14 HN SER 14 -7.746 1.127 4.027
101 HA SER 14 HA SER 14 -9.357 1.534 1.678
102 HB2 SER 14 HB2 SER 14 -9.762 2.583 4.489
103 HB3 SER 14 HB1 SER 14 -10.972 2.542 3.205
104 HG SER 14 HG SER 14 -9.687 0.284 4.374
105 H ASP 15 HN ASP 15 -6.633 2.944 2.391
106 HA ASP 15 HA ASP 15 -7.552 5.637 1.579
107 HB2 ASP 15 HB2 ASP 15 -5.282 4.899 3.439
108 HB3 ASP 15 HB1 ASP 15 -5.466 6.498 2.731
109 HA PRO 16 HA PRO 16 -5.224 4.212 -2.013
110 HB2 PRO 16 HB2 PRO 16 -5.626 6.563 -3.413
111 HB3 PRO 16 HB1 PRO 16 -6.729 5.182 -3.410
112 HG2 PRO 16 HG2 PRO 16 -6.856 7.717 -1.829
113 HG3 PRO 16 HG1 PRO 16 -8.170 6.806 -2.599
114 HD2 PRO 16 HD2 PRO 16 -7.735 6.676 0.046
115 HD3 PRO 16 HD1 PRO 16 -8.267 5.250 -0.880
116 H THR 17 HN THR 17 -4.877 7.425 -0.587
117 HA THR 17 HA THR 17 -2.336 7.965 -1.715
118 HB THR 17 HB THR 17 -3.903 9.722 -0.939
119 HG1 THR 17 HG1 THR 17 -1.435 9.894 -0.989
120 HG21 THR 17 HG21 THR 17 -4.682 8.655 1.113
121 HG22 THR 17 HG22 THR 17 -4.058 10.275 1.430
122 HG23 THR 17 HG23 THR 17 -3.080 8.859 1.826
123 H SER 18 HN SER 18 -3.412 6.690 1.396
124 HA SER 18 HA SER 18 -0.768 6.578 2.461
125 HB2 SER 18 HB2 SER 18 -3.213 5.112 3.468
126 HB3 SER 18 HB1 SER 18 -1.760 5.512 4.388
127 HG SER 18 HG SER 18 -3.353 7.007 4.880
128 H LYS 19 HN LYS 19 -2.940 4.325 0.911
129 HA LYS 19 HA LYS 19 -1.271 2.059 1.121
130 HB2 LYS 19 HB2 LYS 19 -3.448 1.538 0.564
131 HB3 LYS 19 HB1 LYS 19 -3.618 2.891 -0.537
132 HG2 LYS 19 HG2 LYS 19 -1.755 0.706 -1.289
133 HG3 LYS 19 HG1 LYS 19 -3.488 0.388 -1.367
134 HD2 LYS 19 HD2 LYS 19 -3.736 2.412 -2.791
135 HD3 LYS 19 HD1 LYS 19 -1.978 2.584 -2.785
136 HE2 LYS 19 HE2 LYS 19 -1.749 0.397 -3.823
137 HE3 LYS 19 HE1 LYS 19 -3.498 0.186 -3.794
138 HZ1 LYS 19 HZ1 LYS 19 -3.646 2.200 -5.228
139 HZ2 LYS 19 HZ2 LYS 19 -2.882 0.878 -5.964
140 HZ3 LYS 19 HZ3 LYS 19 -1.957 2.168 -5.379
141 H MET 20 HN MET 20 -1.052 4.956 -0.606
142 HA MET 20 HA MET 20 0.553 3.887 -2.791
143 HB2 MET 20 HB2 MET 20 -1.047 5.842 -3.067
144 HB3 MET 20 HB1 MET 20 0.066 6.787 -2.078
145 HG2 MET 20 HG2 MET 20 0.426 7.222 -4.432
146 HG3 MET 20 HG1 MET 20 1.837 6.452 -3.708
147 HE1 MET 20 HE1 MET 20 2.845 5.793 -6.085
148 HE2 MET 20 HE2 MET 20 1.496 6.674 -6.800
149 HE3 MET 20 HE3 MET 20 1.882 5.047 -7.362
150 H ARG 21 HN ARG 21 0.943 6.125 -0.076
151 HA ARG 21 HA ARG 21 3.721 6.414 -0.164
152 HB2 ARG 21 HB2 ARG 21 1.869 7.581 1.287
153 HB3 ARG 21 HB1 ARG 21 2.230 6.299 2.434
154 HG2 ARG 21 HG2 ARG 21 4.636 7.017 2.307
155 HG3 ARG 21 HG1 ARG 21 4.076 8.424 1.401
156 HD2 ARG 21 HD2 ARG 21 4.265 9.082 3.673
157 HD3 ARG 21 HD1 ARG 21 2.546 8.933 3.310
158 HE ARG 21 HE ARG 21 4.016 6.753 4.649
159 HH11 ARG 21 HH11 ARG 21 1.370 9.058 4.552
160 HH12 ARG 21 HH12 ARG 21 0.600 8.428 5.972
161 HH21 ARG 21 HH21 ARG 21 3.031 5.948 6.544
162 HH22 ARG 21 HH22 ARG 21 1.537 6.648 7.099
163 H HIS 22 HN HIS 22 1.650 4.033 1.353
164 HA HIS 22 HA HIS 22 3.573 2.571 2.766
165 HB2 HIS 22 HB2 HIS 22 1.188 2.331 3.171
166 HB3 HIS 22 HB1 HIS 22 0.944 1.704 1.540
167 HD1 HIS 22 HD1 HIS 22 1.981 0.689 4.967
168 HD2 HIS 22 HD2 HIS 22 1.795 -0.936 1.141
169 HE1 HIS 22 HE1 HIS 22 2.201 -1.809 5.244
170 H LEU 23 HN LEU 23 2.350 2.216 -0.551
171 HA LEU 23 HA LEU 23 3.830 -0.123 -1.134
172 HB2 LEU 23 HB2 LEU 23 2.105 1.709 -2.566
173 HB3 LEU 23 HB1 LEU 23 3.477 1.223 -3.556
174 HG LEU 23 HG LEU 23 2.891 -1.140 -3.208
175 HD11 LEU 23 HD11 LEU 23 0.495 -0.058 -1.732
176 HD12 LEU 23 HD12 LEU 23 1.846 -0.932 -1.011
177 HD13 LEU 23 HD13 LEU 23 0.778 -1.746 -2.153
178 HD21 LEU 23 HD21 LEU 23 0.587 0.538 -4.197
179 HD22 LEU 23 HD22 LEU 23 0.874 -1.162 -4.569
180 HD23 LEU 23 HD23 LEU 23 2.001 0.066 -5.139
181 H GLU 24 HN GLU 24 4.583 3.301 -1.337
182 HA GLU 24 HA GLU 24 7.048 2.981 -2.707
183 HB2 GLU 24 HB2 GLU 24 5.854 5.137 -2.557
184 HB3 GLU 24 HB1 GLU 24 6.174 5.183 -0.828
185 HG2 GLU 24 HG2 GLU 24 8.529 5.348 -1.207
186 HG3 GLU 24 HG1 GLU 24 8.304 5.113 -2.947
187 H THR 25 HN THR 25 6.054 2.731 0.621
188 HA THR 25 HA THR 25 8.657 2.743 1.770
189 HB THR 25 HB THR 25 6.161 1.451 2.900
190 HG1 THR 25 HG1 THR 25 6.009 3.774 2.249
191 HG21 THR 25 HG21 THR 25 8.269 0.910 4.068
192 HG22 THR 25 HG22 THR 25 7.189 1.888 5.063
193 HG23 THR 25 HG23 THR 25 8.578 2.634 4.275
194 H HIS 26 HN HIS 26 6.850 0.445 -0.007
195 HA HIS 26 HA HIS 26 8.203 -1.891 0.964
196 HB2 HIS 26 HB2 HIS 26 6.262 -1.321 -1.223
197 HB3 HIS 26 HB1 HIS 26 7.238 -2.784 -1.344
198 HD1 HIS 26 HD1 HIS 26 6.643 -4.733 0.226
199 HD2 HIS 26 HD2 HIS 26 4.454 -1.273 0.973
200 HE1 HIS 26 HE1 HIS 26 4.742 -5.370 1.804
201 H ASP 27 HN ASP 27 9.105 0.638 -1.079
202 HA ASP 27 HA ASP 27 11.067 -0.920 -2.533
203 HB2 ASP 27 HB2 ASP 27 10.211 1.073 -3.629
204 HB3 ASP 27 HB1 ASP 27 10.716 2.077 -2.271
205 H THR 28 HN THR 28 12.337 -1.902 -1.076
206 HA THR 28 HA THR 28 13.250 -0.794 1.324
207 HB THR 28 HB THR 28 14.940 -2.659 1.258
208 HG1 THR 28 HG1 THR 28 15.300 -3.602 -0.596
209 HG21 THR 28 HG21 THR 28 13.263 -4.447 1.420
210 HG22 THR 28 HG22 THR 28 12.071 -3.391 0.660
211 HG23 THR 28 HG23 THR 28 12.730 -2.982 2.245
212 H ASP 29 HN ASP 29 14.944 0.413 1.854
213 HA ASP 29 HA ASP 29 16.536 1.751 -0.071
214 HB2 ASP 29 HB2 ASP 29 16.125 2.686 2.159
215 HB3 ASP 29 HB1 ASP 29 16.979 1.336 2.897
216 H LYS 30 HN LYS 30 16.906 -1.136 1.816
217 HA LYS 30 HA LYS 30 18.948 -2.075 -0.017
218 HB2 LYS 30 HB2 LYS 30 20.223 -1.126 1.875
219 HB3 LYS 30 HB1 LYS 30 19.309 -2.134 2.988
220 HG2 LYS 30 HG2 LYS 30 21.466 -3.114 2.607
221 HG3 LYS 30 HG1 LYS 30 20.224 -4.138 1.884
222 HD2 LYS 30 HD2 LYS 30 20.709 -3.140 -0.314
223 HD3 LYS 30 HD1 LYS 30 21.977 -2.160 0.425
224 HE2 LYS 30 HE2 LYS 30 21.886 -5.171 0.275
225 HE3 LYS 30 HE1 LYS 30 22.951 -4.105 -0.639
226 HZ1 LYS 30 HZ1 LYS 30 24.112 -5.056 1.235
227 HZ2 LYS 30 HZ2 LYS 30 22.943 -4.464 2.310
228 HZ3 LYS 30 HZ3 LYS 30 23.941 -3.382 1.460
Start of MODEL 14
1 H1 MET 1 HT1 MET 1 -18.013 0.351 -3.705
2 H2 MET 1 HT2 MET 1 -18.956 0.614 -2.319
3 H3 MET 1 HT3 MET 1 -18.488 -0.959 -2.740
4 HA MET 1 HA MET 1 -16.708 1.238 -1.862
5 HB2 MET 1 HB2 MET 1 -17.420 -1.412 -0.577
6 HB3 MET 1 HB1 MET 1 -16.239 -0.267 0.046
7 HG2 MET 1 HG2 MET 1 -19.190 0.245 -0.270
8 HG3 MET 1 HG1 MET 1 -18.358 -0.136 1.240
9 HE1 MET 1 HE1 MET 1 -20.270 2.383 0.778
10 HE2 MET 1 HE2 MET 1 -19.359 3.661 1.582
11 HE3 MET 1 HE3 MET 1 -19.481 2.065 2.323
12 H LYS 2 HN LYS 2 -14.510 0.848 -1.981
13 HA LYS 2 HA LYS 2 -13.556 -1.654 -3.091
14 HB2 LYS 2 HB2 LYS 2 -14.298 -0.432 -5.083
15 HB3 LYS 2 HB1 LYS 2 -13.296 0.937 -4.625
16 HG2 LYS 2 HG2 LYS 2 -11.300 -0.285 -5.039
17 HG3 LYS 2 HG1 LYS 2 -12.194 -1.799 -5.219
18 HD2 LYS 2 HD2 LYS 2 -12.504 0.605 -7.015
19 HD3 LYS 2 HD1 LYS 2 -11.505 -0.803 -7.387
20 HE2 LYS 2 HE2 LYS 2 -13.367 -2.221 -7.532
21 HE3 LYS 2 HE1 LYS 2 -14.417 -1.069 -6.713
22 HZ1 LYS 2 HZ1 LYS 2 -13.247 -0.688 -9.419
23 HZ2 LYS 2 HZ2 LYS 2 -14.322 0.363 -8.632
24 HZ3 LYS 2 HZ3 LYS 2 -14.839 -1.184 -9.097
25 HA PRO 3 HA PRO 3 -10.352 0.054 -0.442
26 HB2 PRO 3 HB2 PRO 3 -9.428 -2.627 -0.010
27 HB3 PRO 3 HB1 PRO 3 -10.351 -1.603 1.100
28 HG2 PRO 3 HG2 PRO 3 -11.318 -3.907 -0.070
29 HG3 PRO 3 HG1 PRO 3 -12.331 -2.589 0.547
30 HD2 PRO 3 HD2 PRO 3 -11.467 -3.159 -2.263
31 HD3 PRO 3 HD1 PRO 3 -13.056 -2.625 -1.662
32 H TYR 4 HN TYR 4 -7.979 -0.244 -0.381
33 HA TYR 4 HA TYR 4 -6.946 -0.883 -3.066
34 HB2 TYR 4 HB2 TYR 4 -5.997 1.239 -1.125
35 HB3 TYR 4 HB1 TYR 4 -5.279 0.900 -2.702
36 HD1 TYR 4 HD1 TYR 4 -8.193 2.315 -0.959
37 HD2 TYR 4 HD2 TYR 4 -6.344 1.652 -4.730
38 HE1 TYR 4 HE1 TYR 4 -9.757 3.904 -1.996
39 HE2 TYR 4 HE2 TYR 4 -7.901 3.241 -5.779
40 HH TYR 4 HH TYR 4 -10.129 4.183 -5.369
41 H GLN 5 HN GLN 5 -5.876 -2.734 -2.957
42 HA GLN 5 HA GLN 5 -4.882 -3.759 -0.464
43 HB2 GLN 5 HB2 GLN 5 -4.302 -5.748 -1.778
44 HB3 GLN 5 HB1 GLN 5 -5.956 -5.231 -2.080
45 HG2 GLN 5 HG2 GLN 5 -5.213 -4.139 -4.163
46 HG3 GLN 5 HG1 GLN 5 -3.579 -4.729 -3.864
47 HE21 GLN 5 HE21 GLN 5 -6.422 -6.589 -3.123
48 HE22 GLN 5 HE22 GLN 5 -6.208 -7.787 -4.347
49 H CYS 6 HN CYS 6 -2.728 -4.532 -0.071
50 HA CYS 6 HA CYS 6 -0.641 -3.002 -1.444
51 HB2 CYS 6 HB2 CYS 6 -0.811 -3.112 1.070
52 HB3 CYS 6 HB1 CYS 6 -0.462 -4.821 0.952
53 H ASP 7 HN ASP 7 0.482 -3.999 -3.033
54 HA ASP 7 HA ASP 7 -0.375 -6.496 -3.976
55 HB2 ASP 7 HB2 ASP 7 0.635 -4.587 -5.315
56 HB3 ASP 7 HB1 ASP 7 2.212 -5.176 -4.776
57 H TYR 8 HN TYR 8 1.977 -5.800 -1.601
58 HA TYR 8 HA TYR 8 3.383 -8.337 -2.098
59 HB2 TYR 8 HB2 TYR 8 4.212 -6.223 -0.108
60 HB3 TYR 8 HB1 TYR 8 5.199 -7.495 -0.827
61 HD1 TYR 8 HD2 TYR 8 5.385 -7.316 -3.491
62 HD2 TYR 8 HD1 TYR 8 4.482 -4.092 -0.877
63 HE1 TYR 8 HE2 TYR 8 6.153 -5.727 -5.201
64 HE2 TYR 8 HE1 TYR 8 5.237 -2.489 -2.570
65 HH TYR 8 HH TYR 8 6.741 -2.448 -4.544
66 H CYS 9 HN CYS 9 0.984 -6.918 -0.276
67 HA CYS 9 HA CYS 9 1.535 -8.578 2.089
68 HB2 CYS 9 HB2 CYS 9 0.348 -5.902 1.642
69 HB3 CYS 9 HB1 CYS 9 -0.054 -6.770 3.093
70 H GLY 10 HN GLY 10 -0.952 -7.605 -0.210
71 HA2 GLY 10 HA2 GLY 10 -2.977 -8.641 -0.698
72 HA3 GLY 10 HA1 GLY 10 -2.673 -9.789 0.614
73 H ARG 11 HN ARG 11 -2.078 -6.908 1.930
74 HA ARG 11 HA ARG 11 -4.547 -6.867 3.393
75 HB2 ARG 11 HB2 ARG 11 -2.486 -6.539 4.598
76 HB3 ARG 11 HB1 ARG 11 -2.022 -5.207 3.541
77 HG2 ARG 11 HG2 ARG 11 -2.750 -4.343 5.651
78 HG3 ARG 11 HG1 ARG 11 -3.925 -3.914 4.407
79 HD2 ARG 11 HD2 ARG 11 -5.416 -5.645 5.132
80 HD3 ARG 11 HD1 ARG 11 -4.204 -6.276 6.257
81 HE ARG 11 HE ARG 11 -5.071 -3.526 6.668
82 HH11 ARG 11 HH11 ARG 11 -5.364 -6.895 7.570
83 HH12 ARG 11 HH12 ARG 11 -6.042 -6.547 9.136
84 HH21 ARG 11 HH21 ARG 11 -5.941 -3.056 8.703
85 HH22 ARG 11 HH22 ARG 11 -6.389 -4.347 9.782
86 H SER 12 HN SER 12 -6.210 -5.543 3.074
87 HA SER 12 HA SER 12 -6.024 -3.607 0.914
88 HB2 SER 12 HB2 SER 12 -8.577 -3.530 1.329
89 HB3 SER 12 HB1 SER 12 -7.885 -4.991 0.627
90 HG SER 12 HG SER 12 -9.359 -5.422 2.352
91 H PHE 13 HN PHE 13 -5.723 -1.531 1.284
92 HA PHE 13 HA PHE 13 -6.274 -0.422 3.945
93 HB2 PHE 13 HB2 PHE 13 -4.793 0.898 1.668
94 HB3 PHE 13 HB1 PHE 13 -4.813 1.385 3.364
95 HD1 PHE 13 HD1 PHE 13 -3.754 -0.160 5.057
96 HD2 PHE 13 HD2 PHE 13 -3.146 -0.574 0.866
97 HE1 PHE 13 HE1 PHE 13 -1.750 -1.507 5.487
98 HE2 PHE 13 HE2 PHE 13 -1.130 -1.927 1.293
99 HZ PHE 13 HZ PHE 13 -0.358 -2.350 3.520
100 H SER 14 HN SER 14 -7.651 1.253 4.264
101 HA SER 14 HA SER 14 -9.558 1.760 2.136
102 HB2 SER 14 HB2 SER 14 -10.701 3.088 4.022
103 HB3 SER 14 HB1 SER 14 -10.596 1.338 4.212
104 HG SER 14 HG SER 14 -9.221 3.382 5.570
105 H ASP 15 HN ASP 15 -6.685 2.845 2.461
106 HA ASP 15 HA ASP 15 -7.388 5.662 1.912
107 HB2 ASP 15 HB2 ASP 15 -5.219 4.530 3.625
108 HB3 ASP 15 HB1 ASP 15 -4.891 6.006 2.722
109 HA PRO 16 HA PRO 16 -5.602 4.460 -2.019
110 HB2 PRO 16 HB2 PRO 16 -6.004 7.300 -2.670
111 HB3 PRO 16 HB1 PRO 16 -6.686 5.867 -3.444
112 HG2 PRO 16 HG2 PRO 16 -8.184 7.521 -1.942
113 HG3 PRO 16 HG1 PRO 16 -8.478 5.774 -1.996
114 HD2 PRO 16 HD2 PRO 16 -7.113 7.405 0.108
115 HD3 PRO 16 HD1 PRO 16 -8.225 6.028 0.290
116 H THR 17 HN THR 17 -4.797 7.587 -0.539
117 HA THR 17 HA THR 17 -2.291 7.816 -1.863
118 HB THR 17 HB THR 17 -3.153 9.285 0.632
119 HG1 THR 17 HG1 THR 17 -4.665 10.128 -0.575
120 HG21 THR 17 HG21 THR 17 -1.719 11.067 -0.279
121 HG22 THR 17 HG22 THR 17 -1.292 10.023 -1.632
122 HG23 THR 17 HG23 THR 17 -0.809 9.583 0.005
123 H SER 18 HN SER 18 -3.349 6.765 1.347
124 HA SER 18 HA SER 18 -0.718 6.471 2.350
125 HB2 SER 18 HB2 SER 18 -3.231 5.123 3.355
126 HB3 SER 18 HB1 SER 18 -1.736 5.364 4.259
127 HG SER 18 HG SER 18 -2.201 7.725 3.699
128 H LYS 19 HN LYS 19 -2.993 4.209 0.876
129 HA LYS 19 HA LYS 19 -1.331 1.944 1.106
130 HB2 LYS 19 HB2 LYS 19 -3.451 1.333 0.538
131 HB3 LYS 19 HB1 LYS 19 -3.710 2.722 -0.497
132 HG2 LYS 19 HG2 LYS 19 -1.849 0.561 -1.371
133 HG3 LYS 19 HG1 LYS 19 -3.592 0.311 -1.478
134 HD2 LYS 19 HD2 LYS 19 -3.673 2.529 -2.722
135 HD3 LYS 19 HD1 LYS 19 -1.916 2.406 -2.841
136 HE2 LYS 19 HE2 LYS 19 -3.938 0.440 -3.897
137 HE3 LYS 19 HE1 LYS 19 -2.950 1.543 -4.852
138 HZ1 LYS 19 HZ1 LYS 19 -1.917 -0.670 -3.165
139 HZ2 LYS 19 HZ2 LYS 19 -0.978 0.379 -4.110
140 HZ3 LYS 19 HZ3 LYS 19 -2.057 -0.705 -4.853
141 H MET 20 HN MET 20 -1.062 4.779 -0.703
142 HA MET 20 HA MET 20 0.528 3.552 -2.834
143 HB2 MET 20 HB2 MET 20 -0.984 5.201 -3.612
144 HB3 MET 20 HB1 MET 20 -0.529 6.337 -2.341
145 HG2 MET 20 HG2 MET 20 0.340 7.002 -4.520
146 HG3 MET 20 HG1 MET 20 1.642 6.652 -3.386
147 HE1 MET 20 HE1 MET 20 -0.411 5.322 -6.460
148 HE2 MET 20 HE2 MET 20 -0.593 4.031 -5.271
149 HE3 MET 20 HE3 MET 20 0.348 3.754 -6.738
150 H ARG 21 HN ARG 21 0.893 5.950 -0.241
151 HA ARG 21 HA ARG 21 3.704 6.238 -0.510
152 HB2 ARG 21 HB2 ARG 21 1.914 6.647 1.900
153 HB3 ARG 21 HB1 ARG 21 3.588 7.180 1.789
154 HG2 ARG 21 HG2 ARG 21 3.054 8.737 0.063
155 HG3 ARG 21 HG1 ARG 21 1.421 8.087 -0.091
156 HD2 ARG 21 HD2 ARG 21 1.365 10.163 1.140
157 HD3 ARG 21 HD1 ARG 21 0.931 8.826 2.202
158 HE ARG 21 HE ARG 21 3.538 9.051 2.711
159 HH11 ARG 21 HH11 ARG 21 1.047 11.505 2.448
160 HH12 ARG 21 HH12 ARG 21 1.786 12.573 3.600
161 HH21 ARG 21 HH21 ARG 21 4.541 10.461 4.207
162 HH22 ARG 21 HH22 ARG 21 3.795 11.983 4.585
163 H HIS 22 HN HIS 22 1.632 3.989 1.139
164 HA HIS 22 HA HIS 22 3.553 2.678 2.730
165 HB2 HIS 22 HB2 HIS 22 1.170 2.456 3.133
166 HB3 HIS 22 HB1 HIS 22 0.934 1.723 1.546
167 HD1 HIS 22 HD1 HIS 22 2.176 0.947 5.008
168 HD2 HIS 22 HD2 HIS 22 1.523 -0.954 1.368
169 HE1 HIS 22 HE1 HIS 22 2.291 -1.534 5.470
170 H LEU 23 HN LEU 23 2.283 1.916 -0.520
171 HA LEU 23 HA LEU 23 3.914 -0.373 -0.871
172 HB2 LEU 23 HB2 LEU 23 2.056 1.193 -2.484
173 HB3 LEU 23 HB1 LEU 23 3.388 0.537 -3.428
174 HG LEU 23 HG LEU 23 2.791 -1.714 -2.294
175 HD11 LEU 23 HD11 LEU 23 0.223 -0.205 -1.857
176 HD12 LEU 23 HD12 LEU 23 1.310 -0.797 -0.599
177 HD13 LEU 23 HD13 LEU 23 0.460 -1.940 -1.638
178 HD21 LEU 23 HD21 LEU 23 1.108 -2.197 -4.002
179 HD22 LEU 23 HD22 LEU 23 2.465 -1.281 -4.657
180 HD23 LEU 23 HD23 LEU 23 0.937 -0.469 -4.317
181 H GLU 24 HN GLU 24 4.466 3.012 -1.295
182 HA GLU 24 HA GLU 24 6.807 2.760 -2.906
183 HB2 GLU 24 HB2 GLU 24 5.417 4.792 -2.847
184 HB3 GLU 24 HB1 GLU 24 5.866 5.043 -1.167
185 HG2 GLU 24 HG2 GLU 24 8.162 5.389 -1.781
186 HG3 GLU 24 HG1 GLU 24 7.796 4.995 -3.468
187 H THR 25 HN THR 25 6.137 2.899 0.529
188 HA THR 25 HA THR 25 8.950 3.108 1.195
189 HB THR 25 HB THR 25 8.031 2.939 3.586
190 HG1 THR 25 HG1 THR 25 5.584 3.714 2.390
191 HG21 THR 25 HG21 THR 25 8.801 5.018 2.595
192 HG22 THR 25 HG22 THR 25 7.350 5.305 3.555
193 HG23 THR 25 HG23 THR 25 7.245 5.240 1.794
194 H HIS 26 HN HIS 26 7.098 0.631 0.217
195 HA HIS 26 HA HIS 26 7.807 -1.385 2.132
196 HB2 HIS 26 HB2 HIS 26 6.139 -1.215 -0.209
197 HB3 HIS 26 HB1 HIS 26 7.160 -2.653 -0.293
198 HD1 HIS 26 HD1 HIS 26 6.803 -4.475 1.613
199 HD2 HIS 26 HD2 HIS 26 4.137 -1.273 1.687
200 HE1 HIS 26 HE1 HIS 26 4.822 -5.154 3.083
201 H ASP 27 HN ASP 27 10.047 0.094 1.075
202 HA ASP 27 HA ASP 27 11.464 -1.597 -0.773
203 HB2 ASP 27 HB2 ASP 27 11.678 0.965 -0.432
204 HB3 ASP 27 HB1 ASP 27 12.706 0.553 0.934
205 H THR 28 HN THR 28 14.084 -1.369 0.652
206 HA THR 28 HA THR 28 13.842 -3.856 2.090
207 HB THR 28 HB THR 28 16.350 -3.563 2.383
208 HG1 THR 28 HG1 THR 28 16.897 -1.523 2.054
209 HG21 THR 28 HG21 THR 28 16.815 -4.074 0.018
210 HG22 THR 28 HG22 THR 28 15.192 -3.530 -0.406
211 HG23 THR 28 HG23 THR 28 15.407 -4.948 0.620
212 H ASP 29 HN ASP 29 12.700 -1.318 3.253
213 HA ASP 29 HA ASP 29 14.142 -0.589 5.555
214 HB2 ASP 29 HB2 ASP 29 12.261 0.733 4.764
215 HB3 ASP 29 HB1 ASP 29 11.156 -0.606 5.060
216 H LYS 30 HN LYS 30 11.601 -3.007 5.070
217 HA LYS 30 HA LYS 30 12.631 -4.422 7.432
218 HB2 LYS 30 HB2 LYS 30 9.805 -4.143 6.430
219 HB3 LYS 30 HB1 LYS 30 10.279 -5.482 7.462
220 HG2 LYS 30 HG2 LYS 30 11.010 -3.861 9.176
221 HG3 LYS 30 HG1 LYS 30 10.423 -2.553 8.144
222 HD2 LYS 30 HD2 LYS 30 8.174 -3.364 8.288
223 HD3 LYS 30 HD1 LYS 30 8.702 -4.832 9.108
224 HE2 LYS 30 HE2 LYS 30 7.712 -3.265 10.685
225 HE3 LYS 30 HE1 LYS 30 9.425 -3.507 11.026
226 HZ1 LYS 30 HZ1 LYS 30 8.594 -1.153 11.115
227 HZ2 LYS 30 HZ2 LYS 30 8.431 -1.215 9.427
228 HZ3 LYS 30 HZ3 LYS 30 9.954 -1.409 10.141
Start of MODEL 15
1 H1 MET 1 HT1 MET 1 -14.529 6.890 -1.526
2 H2 MET 1 HT2 MET 1 -14.053 6.758 -3.148
3 H3 MET 1 HT3 MET 1 -13.497 8.055 -2.207
4 HA MET 1 HA MET 1 -11.775 6.415 -2.509
5 HB2 MET 1 HB2 MET 1 -12.914 6.620 0.279
6 HB3 MET 1 HB1 MET 1 -11.347 5.902 -0.067
7 HG2 MET 1 HG2 MET 1 -10.612 8.030 -1.043
8 HG3 MET 1 HG1 MET 1 -12.166 8.745 -0.623
9 HE1 MET 1 HE1 MET 1 -12.074 8.535 3.305
10 HE2 MET 1 HE2 MET 1 -12.731 7.338 2.187
11 HE3 MET 1 HE3 MET 1 -13.003 9.058 1.902
12 H LYS 2 HN LYS 2 -11.100 4.354 -2.569
13 HA LYS 2 HA LYS 2 -12.928 2.253 -1.635
14 HB2 LYS 2 HB2 LYS 2 -11.563 2.443 -4.323
15 HB3 LYS 2 HB1 LYS 2 -12.187 0.927 -3.684
16 HG2 LYS 2 HG2 LYS 2 -14.429 1.865 -3.602
17 HG3 LYS 2 HG1 LYS 2 -13.815 3.411 -4.191
18 HD2 LYS 2 HD2 LYS 2 -13.220 2.452 -6.296
19 HD3 LYS 2 HD1 LYS 2 -13.561 0.821 -5.712
20 HE2 LYS 2 HE2 LYS 2 -15.627 3.006 -5.912
21 HE3 LYS 2 HE1 LYS 2 -15.342 1.810 -7.174
22 HZ1 LYS 2 HZ1 LYS 2 -16.141 1.177 -4.379
23 HZ2 LYS 2 HZ2 LYS 2 -15.937 0.061 -5.643
24 HZ3 LYS 2 HZ3 LYS 2 -17.189 1.202 -5.713
25 HA PRO 3 HA PRO 3 -9.236 0.641 0.150
26 HB2 PRO 3 HB2 PRO 3 -10.277 -2.052 0.184
27 HB3 PRO 3 HB1 PRO 3 -10.209 -0.883 1.514
28 HG2 PRO 3 HG2 PRO 3 -12.536 -1.732 0.368
29 HG3 PRO 3 HG1 PRO 3 -12.341 -0.149 1.141
30 HD2 PRO 3 HD2 PRO 3 -12.191 -0.856 -1.771
31 HD3 PRO 3 HD1 PRO 3 -13.049 0.500 -0.996
32 H TYR 4 HN TYR 4 -7.402 0.073 -0.619
33 HA TYR 4 HA TYR 4 -7.246 -1.494 -3.099
34 HB2 TYR 4 HB2 TYR 4 -5.372 0.570 -1.930
35 HB3 TYR 4 HB1 TYR 4 -5.004 -0.396 -3.363
36 HD1 TYR 4 HD2 TYR 4 -6.381 -0.092 -5.426
37 HD2 TYR 4 HD1 TYR 4 -6.742 2.487 -2.061
38 HE1 TYR 4 HE2 TYR 4 -7.521 1.573 -6.831
39 HE2 TYR 4 HE1 TYR 4 -7.887 4.157 -3.454
40 HH TYR 4 HH TYR 4 -8.136 4.782 -5.742
41 H GLN 5 HN GLN 5 -6.289 -3.425 -3.066
42 HA GLN 5 HA GLN 5 -5.078 -4.434 -0.662
43 HB2 GLN 5 HB2 GLN 5 -5.120 -5.619 -3.446
44 HB3 GLN 5 HB1 GLN 5 -4.613 -6.455 -1.987
45 HG2 GLN 5 HG2 GLN 5 -6.883 -6.265 -1.099
46 HG3 GLN 5 HG1 GLN 5 -7.386 -5.445 -2.580
47 HE21 GLN 5 HE21 GLN 5 -8.314 -7.973 -1.450
48 HE22 GLN 5 HE22 GLN 5 -8.031 -9.169 -2.671
49 H CYS 6 HN CYS 6 -2.949 -4.423 -0.130
50 HA CYS 6 HA CYS 6 -1.033 -3.347 -2.019
51 HB2 CYS 6 HB2 CYS 6 -0.781 -2.791 0.338
52 HB3 CYS 6 HB1 CYS 6 -0.699 -4.499 0.747
53 H ASP 7 HN ASP 7 0.103 -4.553 -3.412
54 HA ASP 7 HA ASP 7 -0.628 -7.220 -3.857
55 HB2 ASP 7 HB2 ASP 7 1.730 -5.684 -4.954
56 HB3 ASP 7 HB1 ASP 7 1.107 -7.205 -5.602
57 H TYR 8 HN TYR 8 1.685 -6.021 -1.662
58 HA TYR 8 HA TYR 8 3.159 -8.572 -1.737
59 HB2 TYR 8 HB2 TYR 8 4.094 -6.033 -0.398
60 HB3 TYR 8 HB1 TYR 8 5.047 -7.468 -0.791
61 HD1 TYR 8 HD2 TYR 8 4.857 -8.055 -3.443
62 HD2 TYR 8 HD1 TYR 8 4.528 -4.187 -1.707
63 HE1 TYR 8 HE2 TYR 8 5.528 -7.050 -5.573
64 HE2 TYR 8 HE1 TYR 8 5.197 -3.166 -3.840
65 HH TYR 8 HH TYR 8 5.176 -4.795 -6.733
66 H CYS 9 HN CYS 9 1.001 -6.637 -0.049
67 HA CYS 9 HA CYS 9 1.566 -7.888 2.531
68 HB2 CYS 9 HB2 CYS 9 0.085 -5.489 1.610
69 HB3 CYS 9 HB1 CYS 9 -0.346 -6.191 3.146
70 H GLY 10 HN GLY 10 -0.900 -7.670 0.034
71 HA2 GLY 10 HA2 GLY 10 -2.769 -8.980 -0.333
72 HA3 GLY 10 HA1 GLY 10 -2.337 -9.935 1.090
73 H ARG 11 HN ARG 11 -2.330 -6.639 1.712
74 HA ARG 11 HA ARG 11 -4.807 -6.929 3.243
75 HB2 ARG 11 HB2 ARG 11 -2.762 -6.620 4.560
76 HB3 ARG 11 HB1 ARG 11 -2.400 -5.147 3.663
77 HG2 ARG 11 HG2 ARG 11 -4.243 -4.021 4.594
78 HG3 ARG 11 HG1 ARG 11 -4.887 -5.503 5.305
79 HD2 ARG 11 HD2 ARG 11 -3.000 -5.654 6.794
80 HD3 ARG 11 HD1 ARG 11 -2.243 -4.249 6.035
81 HE ARG 11 HE ARG 11 -4.625 -3.278 6.867
82 HH11 ARG 11 HH11 ARG 11 -2.156 -5.168 8.487
83 HH12 ARG 11 HH12 ARG 11 -2.391 -4.391 10.026
84 HH21 ARG 11 HH21 ARG 11 -4.991 -2.317 8.902
85 HH22 ARG 11 HH22 ARG 11 -4.036 -2.798 10.272
86 H SER 12 HN SER 12 -6.404 -5.462 3.062
87 HA SER 12 HA SER 12 -6.239 -3.619 0.814
88 HB2 SER 12 HB2 SER 12 -8.652 -4.189 2.545
89 HB3 SER 12 HB1 SER 12 -8.624 -3.538 0.908
90 HG SER 12 HG SER 12 -7.914 -6.166 1.724
91 H PHE 13 HN PHE 13 -5.506 -1.623 1.223
92 HA PHE 13 HA PHE 13 -6.193 -0.345 3.774
93 HB2 PHE 13 HB2 PHE 13 -4.520 0.876 1.586
94 HB3 PHE 13 HB1 PHE 13 -4.561 1.305 3.297
95 HD1 PHE 13 HD1 PHE 13 -3.718 -0.461 4.939
96 HD2 PHE 13 HD2 PHE 13 -2.832 -0.544 0.780
97 HE1 PHE 13 HE1 PHE 13 -1.808 -1.933 5.384
98 HE2 PHE 13 HE2 PHE 13 -0.904 -2.019 1.220
99 HZ PHE 13 HZ PHE 13 -0.266 -2.605 3.387
100 H SER 14 HN SER 14 -7.939 0.915 3.861
101 HA SER 14 HA SER 14 -9.305 1.659 1.419
102 HB2 SER 14 HB2 SER 14 -10.586 0.872 3.379
103 HB3 SER 14 HB1 SER 14 -10.009 2.254 4.309
104 HG SER 14 HG SER 14 -10.986 3.497 2.446
105 H ASP 15 HN ASP 15 -6.662 2.774 2.213
106 HA ASP 15 HA ASP 15 -7.373 5.637 2.128
107 HB2 ASP 15 HB2 ASP 15 -5.004 4.339 3.501
108 HB3 ASP 15 HB1 ASP 15 -5.248 6.076 3.347
109 HA PRO 16 HA PRO 16 -5.562 4.620 -1.899
110 HB2 PRO 16 HB2 PRO 16 -6.209 7.490 -2.321
111 HB3 PRO 16 HB1 PRO 16 -6.596 6.085 -3.322
112 HG2 PRO 16 HG2 PRO 16 -8.477 7.236 -1.836
113 HG3 PRO 16 HG1 PRO 16 -8.399 5.471 -1.993
114 HD2 PRO 16 HD2 PRO 16 -7.528 7.213 0.277
115 HD3 PRO 16 HD1 PRO 16 -8.338 5.632 0.315
116 H THR 17 HN THR 17 -4.805 7.673 -0.198
117 HA THR 17 HA THR 17 -2.319 7.929 -1.647
118 HB THR 17 HB THR 17 -3.430 9.557 0.650
119 HG1 THR 17 HG1 THR 17 -3.254 10.152 -2.143
120 HG21 THR 17 HG21 THR 17 -1.746 11.230 0.045
121 HG22 THR 17 HG22 THR 17 -1.095 10.140 -1.181
122 HG23 THR 17 HG23 THR 17 -0.979 9.718 0.527
123 H SER 18 HN SER 18 -3.369 6.852 1.535
124 HA SER 18 HA SER 18 -0.701 6.786 2.561
125 HB2 SER 18 HB2 SER 18 -3.176 5.485 3.712
126 HB3 SER 18 HB1 SER 18 -1.680 5.846 4.573
127 HG SER 18 HG SER 18 -3.477 7.400 4.822
128 H LYS 19 HN LYS 19 -2.886 4.489 1.093
129 HA LYS 19 HA LYS 19 -1.206 2.225 1.405
130 HB2 LYS 19 HB2 LYS 19 -3.388 1.668 0.843
131 HB3 LYS 19 HB1 LYS 19 -3.539 2.976 -0.312
132 HG2 LYS 19 HG2 LYS 19 -1.674 0.750 -0.929
133 HG3 LYS 19 HG1 LYS 19 -3.411 0.478 -1.085
134 HD2 LYS 19 HD2 LYS 19 -3.535 2.482 -2.548
135 HD3 LYS 19 HD1 LYS 19 -1.777 2.610 -2.461
136 HE2 LYS 19 HE2 LYS 19 -1.589 0.360 -3.427
137 HE3 LYS 19 HE1 LYS 19 -3.345 0.281 -3.552
138 HZ1 LYS 19 HZ1 LYS 19 -2.642 0.931 -5.658
139 HZ2 LYS 19 HZ2 LYS 19 -1.464 1.995 -5.056
140 HZ3 LYS 19 HZ3 LYS 19 -3.105 2.399 -4.941
141 H MET 20 HN MET 20 -1.069 5.061 -0.456
142 HA MET 20 HA MET 20 0.333 3.927 -2.721
143 HB2 MET 20 HB2 MET 20 -1.193 5.975 -2.783
144 HB3 MET 20 HB1 MET 20 0.120 6.855 -1.998
145 HG2 MET 20 HG2 MET 20 0.446 5.405 -4.611
146 HG3 MET 20 HG1 MET 20 -0.049 7.089 -4.497
147 HE1 MET 20 HE1 MET 20 2.035 7.418 -6.203
148 HE2 MET 20 HE2 MET 20 2.584 5.751 -6.022
149 HE3 MET 20 HE3 MET 20 3.712 7.082 -5.768
150 H ARG 21 HN ARG 21 1.163 6.183 -0.110
151 HA ARG 21 HA ARG 21 3.949 6.098 -0.609
152 HB2 ARG 21 HB2 ARG 21 2.389 6.933 1.840
153 HB3 ARG 21 HB1 ARG 21 4.132 7.115 1.684
154 HG2 ARG 21 HG2 ARG 21 3.786 8.523 -0.301
155 HG3 ARG 21 HG1 ARG 21 2.043 8.386 -0.073
156 HD2 ARG 21 HD2 ARG 21 2.206 9.498 2.073
157 HD3 ARG 21 HD1 ARG 21 3.965 9.543 1.943
158 HE ARG 21 HE ARG 21 2.704 10.821 -0.276
159 HH11 ARG 21 HH11 ARG 21 3.534 11.309 3.091
160 HH12 ARG 21 HH12 ARG 21 3.700 13.031 2.933
161 HH21 ARG 21 HH21 ARG 21 2.905 13.056 -0.493
162 HH22 ARG 21 HH22 ARG 21 3.328 14.033 0.881
163 H HIS 22 HN HIS 22 1.783 4.128 1.311
164 HA HIS 22 HA HIS 22 3.680 2.630 2.729
165 HB2 HIS 22 HB2 HIS 22 1.306 2.409 3.219
166 HB3 HIS 22 HB1 HIS 22 0.992 1.790 1.595
167 HD1 HIS 22 HD1 HIS 22 2.382 0.747 4.930
168 HD2 HIS 22 HD2 HIS 22 1.577 -0.859 1.180
169 HE1 HIS 22 HE1 HIS 22 2.514 -1.758 5.192
170 H LEU 23 HN LEU 23 2.296 2.166 -0.501
171 HA LEU 23 HA LEU 23 3.742 -0.144 -1.183
172 HB2 LEU 23 HB2 LEU 23 2.050 1.790 -2.531
173 HB3 LEU 23 HB1 LEU 23 3.384 1.284 -3.560
174 HG LEU 23 HG LEU 23 1.383 -0.079 -3.941
175 HD11 LEU 23 HD11 LEU 23 3.591 -1.079 -4.265
176 HD12 LEU 23 HD12 LEU 23 2.414 -2.274 -3.717
177 HD13 LEU 23 HD13 LEU 23 3.593 -1.615 -2.581
178 HD21 LEU 23 HD21 LEU 23 0.357 0.057 -1.750
179 HD22 LEU 23 HD22 LEU 23 1.690 -0.859 -1.045
180 HD23 LEU 23 HD23 LEU 23 0.602 -1.631 -2.197
181 H GLU 24 HN GLU 24 4.450 3.296 -1.766
182 HA GLU 24 HA GLU 24 6.866 3.006 -3.119
183 HB2 GLU 24 HB2 GLU 24 5.883 5.148 -1.243
184 HB3 GLU 24 HB1 GLU 24 7.417 5.275 -2.090
185 HG2 GLU 24 HG2 GLU 24 4.743 4.946 -3.430
186 HG3 GLU 24 HG1 GLU 24 5.569 6.490 -3.181
187 H THR 25 HN THR 25 6.157 2.628 0.267
188 HA THR 25 HA THR 25 8.819 3.073 1.172
189 HB THR 25 HB THR 25 6.452 1.869 2.614
190 HG1 THR 25 HG1 THR 25 6.096 4.027 2.107
191 HG21 THR 25 HG21 THR 25 7.698 2.344 4.668
192 HG22 THR 25 HG22 THR 25 9.084 2.871 3.713
193 HG23 THR 25 HG23 THR 25 8.565 1.186 3.658
194 H HIS 26 HN HIS 26 6.853 0.043 0.961
195 HA HIS 26 HA HIS 26 9.409 -1.330 1.417
196 HB2 HIS 26 HB2 HIS 26 8.397 -2.985 2.677
197 HB3 HIS 26 HB1 HIS 26 7.508 -1.547 3.152
198 HD1 HIS 26 HD1 HIS 26 6.906 -4.936 2.566
199 HD2 HIS 26 HD2 HIS 26 4.990 -1.461 1.278
200 HE1 HIS 26 HE1 HIS 26 4.502 -5.571 2.008
201 H ASP 27 HN ASP 27 8.175 -0.476 -1.167
202 HA ASP 27 HA ASP 27 8.090 -3.084 -2.509
203 HB2 ASP 27 HB2 ASP 27 6.403 -1.536 -3.283
204 HB3 ASP 27 HB1 ASP 27 7.609 -0.287 -3.554
205 H THR 28 HN THR 28 9.564 -0.006 -3.441
206 HA THR 28 HA THR 28 11.561 0.621 -4.221
207 HB THR 28 HB THR 28 13.609 -0.365 -3.256
208 HG1 THR 28 HG1 THR 28 11.969 -2.430 -2.722
209 HG21 THR 28 HG21 THR 28 12.429 1.438 -2.126
210 HG22 THR 28 HG22 THR 28 13.131 0.327 -0.946
211 HG23 THR 28 HG23 THR 28 11.401 0.271 -1.298
212 H ASP 29 HN ASP 29 12.968 0.392 -5.854
213 HA ASP 29 HA ASP 29 12.352 -1.739 -7.698
214 HB2 ASP 29 HB2 ASP 29 14.222 0.623 -7.946
215 HB3 ASP 29 HB1 ASP 29 13.794 -0.471 -9.257
216 H LYS 30 HN LYS 30 14.775 -1.112 -5.389
217 HA LYS 30 HA LYS 30 16.639 -2.964 -6.697
218 HB2 LYS 30 HB2 LYS 30 17.441 -0.667 -6.029
219 HB3 LYS 30 HB1 LYS 30 17.191 -1.137 -4.353
220 HG2 LYS 30 HG2 LYS 30 18.732 -3.119 -4.912
221 HG3 LYS 30 HG1 LYS 30 19.194 -2.158 -6.318
222 HD2 LYS 30 HD2 LYS 30 20.745 -1.741 -4.510
223 HD3 LYS 30 HD1 LYS 30 19.781 -0.292 -4.805
224 HE2 LYS 30 HE2 LYS 30 20.098 -0.864 -2.393
225 HE3 LYS 30 HE1 LYS 30 18.414 -0.724 -2.900
226 HZ1 LYS 30 HZ1 LYS 30 18.891 -2.681 -1.471
227 HZ2 LYS 30 HZ2 LYS 30 19.872 -3.305 -2.706
228 HZ3 LYS 30 HZ3 LYS 30 18.210 -3.080 -2.970
Start of MODEL 16
1 H1 MET 1 HT1 MET 1 -17.990 -1.213 -3.071
2 H2 MET 1 HT2 MET 1 -18.490 0.397 -3.250
3 H3 MET 1 HT3 MET 1 -17.557 -0.055 -1.907
4 HA MET 1 HA MET 1 -16.691 -0.018 -4.738
5 HB2 MET 1 HB2 MET 1 -16.084 1.696 -2.340
6 HB3 MET 1 HB1 MET 1 -14.956 1.587 -3.685
7 HG2 MET 1 HG2 MET 1 -17.809 2.524 -3.820
8 HG3 MET 1 HG1 MET 1 -16.366 3.534 -3.906
9 HE1 MET 1 HE1 MET 1 -18.581 3.816 -6.079
10 HE2 MET 1 HE2 MET 1 -17.646 3.785 -7.575
11 HE3 MET 1 HE3 MET 1 -17.043 4.675 -6.177
12 H LYS 2 HN LYS 2 -14.638 -0.767 -5.169
13 HA LYS 2 HA LYS 2 -13.787 -3.009 -3.652
14 HB2 LYS 2 HB2 LYS 2 -11.909 -3.063 -5.304
15 HB3 LYS 2 HB1 LYS 2 -13.507 -3.027 -6.035
16 HG2 LYS 2 HG2 LYS 2 -13.242 -0.588 -6.381
17 HG3 LYS 2 HG1 LYS 2 -11.590 -0.725 -5.774
18 HD2 LYS 2 HD2 LYS 2 -10.991 -2.197 -7.576
19 HD3 LYS 2 HD1 LYS 2 -12.664 -2.261 -8.137
20 HE2 LYS 2 HE2 LYS 2 -12.558 0.177 -8.573
21 HE3 LYS 2 HE1 LYS 2 -10.856 0.151 -8.111
22 HZ1 LYS 2 HZ1 LYS 2 -10.381 -1.325 -9.929
23 HZ2 LYS 2 HZ2 LYS 2 -11.199 0.043 -10.523
24 HZ3 LYS 2 HZ3 LYS 2 -12.026 -1.423 -10.343
25 HA PRO 3 HA PRO 3 -10.935 -0.947 -0.979
26 HB2 PRO 3 HB2 PRO 3 -9.663 -3.400 -0.274
27 HB3 PRO 3 HB1 PRO 3 -10.988 -2.590 0.579
28 HG2 PRO 3 HG2 PRO 3 -11.191 -5.030 -0.727
29 HG3 PRO 3 HG1 PRO 3 -12.552 -3.972 -0.319
30 HD2 PRO 3 HD2 PRO 3 -11.087 -4.264 -2.910
31 HD3 PRO 3 HD1 PRO 3 -12.833 -4.073 -2.619
32 H TYR 4 HN TYR 4 -8.673 -0.615 -0.627
33 HA TYR 4 HA TYR 4 -7.163 -0.985 -3.103
34 HB2 TYR 4 HB2 TYR 4 -6.909 0.977 -0.825
35 HB3 TYR 4 HB1 TYR 4 -5.686 0.821 -2.093
36 HD1 TYR 4 HD1 TYR 4 -9.092 1.911 -1.311
37 HD2 TYR 4 HD2 TYR 4 -6.151 1.562 -4.368
38 HE1 TYR 4 HE1 TYR 4 -10.385 3.448 -2.726
39 HE2 TYR 4 HE2 TYR 4 -7.440 3.104 -5.791
40 HH TYR 4 HH TYR 4 -10.013 4.986 -4.600
41 H GLN 5 HN GLN 5 -6.423 -3.040 -2.843
42 HA GLN 5 HA GLN 5 -5.133 -4.007 -0.492
43 HB2 GLN 5 HB2 GLN 5 -6.246 -5.520 -2.036
44 HB3 GLN 5 HB1 GLN 5 -5.188 -5.012 -3.343
45 HG2 GLN 5 HG2 GLN 5 -3.270 -5.915 -1.964
46 HG3 GLN 5 HG1 GLN 5 -4.492 -6.653 -0.930
47 HE21 GLN 5 HE21 GLN 5 -2.433 -7.883 -2.603
48 HE22 GLN 5 HE22 GLN 5 -3.271 -8.940 -3.684
49 H CYS 6 HN CYS 6 -2.923 -4.221 -0.036
50 HA CYS 6 HA CYS 6 -1.054 -2.803 -1.764
51 HB2 CYS 6 HB2 CYS 6 -0.801 -2.650 0.691
52 HB3 CYS 6 HB1 CYS 6 -0.575 -4.388 0.754
53 H ASP 7 HN ASP 7 0.023 -3.779 -3.344
54 HA ASP 7 HA ASP 7 -0.521 -6.466 -4.003
55 HB2 ASP 7 HB2 ASP 7 1.481 -4.513 -5.143
56 HB3 ASP 7 HB1 ASP 7 1.098 -6.083 -5.860
57 H TYR 8 HN TYR 8 1.694 -5.253 -1.783
58 HA TYR 8 HA TYR 8 3.455 -7.590 -2.162
59 HB2 TYR 8 HB2 TYR 8 4.111 -5.163 -0.488
60 HB3 TYR 8 HB1 TYR 8 5.208 -6.431 -1.034
61 HD1 TYR 8 HD2 TYR 8 4.948 -6.635 -3.839
62 HD2 TYR 8 HD1 TYR 8 4.587 -3.148 -1.426
63 HE1 TYR 8 HE2 TYR 8 5.563 -5.240 -5.770
64 HE2 TYR 8 HE1 TYR 8 5.199 -1.748 -3.347
65 HH TYR 8 HH TYR 8 5.140 -2.807 -6.476
66 H CYS 9 HN CYS 9 0.899 -6.499 -0.428
67 HA CYS 9 HA CYS 9 1.761 -7.811 2.066
68 HB2 CYS 9 HB2 CYS 9 0.266 -5.318 1.524
69 HB3 CYS 9 HB1 CYS 9 -0.097 -6.194 2.986
70 H GLY 10 HN GLY 10 -0.885 -7.321 -0.204
71 HA2 GLY 10 HA2 GLY 10 -2.743 -8.677 -0.556
72 HA3 GLY 10 HA1 GLY 10 -2.270 -9.641 0.847
73 H ARG 11 HN ARG 11 -2.069 -6.652 2.000
74 HA ARG 11 HA ARG 11 -4.565 -6.894 3.417
75 HB2 ARG 11 HB2 ARG 11 -2.685 -6.252 4.736
76 HB3 ARG 11 HB1 ARG 11 -2.237 -4.980 3.600
77 HG2 ARG 11 HG2 ARG 11 -4.241 -3.729 4.208
78 HG3 ARG 11 HG1 ARG 11 -4.694 -4.999 5.348
79 HD2 ARG 11 HD2 ARG 11 -2.824 -4.556 6.726
80 HD3 ARG 11 HD1 ARG 11 -2.073 -3.528 5.495
81 HE ARG 11 HE ARG 11 -4.584 -2.466 6.237
82 HH11 ARG 11 HH11 ARG 11 -1.348 -2.892 7.485
83 HH12 ARG 11 HH12 ARG 11 -1.403 -1.471 8.487
84 HH21 ARG 11 HH21 ARG 11 -4.664 -0.583 7.525
85 HH22 ARG 11 HH22 ARG 11 -3.287 -0.147 8.501
86 H SER 12 HN SER 12 -6.319 -5.612 3.249
87 HA SER 12 HA SER 12 -6.456 -3.821 0.959
88 HB2 SER 12 HB2 SER 12 -8.950 -3.765 1.834
89 HB3 SER 12 HB1 SER 12 -8.339 -5.169 0.963
90 HG SER 12 HG SER 12 -9.493 -5.365 3.168
91 H PHE 13 HN PHE 13 -6.029 -1.737 1.202
92 HA PHE 13 HA PHE 13 -6.337 -0.474 3.827
93 HB2 PHE 13 HB2 PHE 13 -5.010 0.548 1.308
94 HB3 PHE 13 HB1 PHE 13 -5.027 1.371 2.865
95 HD1 PHE 13 HD2 PHE 13 -3.835 -1.676 1.135
96 HD2 PHE 13 HD1 PHE 13 -3.384 0.920 4.476
97 HE1 PHE 13 HE2 PHE 13 -1.750 -2.819 1.742
98 HE2 PHE 13 HE1 PHE 13 -1.285 -0.215 5.081
99 HZ PHE 13 HZ PHE 13 -0.457 -2.095 3.706
100 H SER 14 HN SER 14 -7.592 1.343 4.120
101 HA SER 14 HA SER 14 -9.690 1.756 2.139
102 HB2 SER 14 HB2 SER 14 -9.338 2.886 4.932
103 HB3 SER 14 HB1 SER 14 -10.752 3.127 3.907
104 HG SER 14 HG SER 14 -11.409 1.403 4.947
105 H ASP 15 HN ASP 15 -6.668 2.780 2.453
106 HA ASP 15 HA ASP 15 -7.289 5.578 1.712
107 HB2 ASP 15 HB2 ASP 15 -4.824 4.546 3.135
108 HB3 ASP 15 HB1 ASP 15 -5.113 6.215 2.667
109 HA PRO 16 HA PRO 16 -5.356 4.068 -2.101
110 HB2 PRO 16 HB2 PRO 16 -5.941 6.838 -2.950
111 HB3 PRO 16 HB1 PRO 16 -6.412 5.310 -3.700
112 HG2 PRO 16 HG2 PRO 16 -8.192 6.848 -2.414
113 HG3 PRO 16 HG1 PRO 16 -8.285 5.078 -2.370
114 HD2 PRO 16 HD2 PRO 16 -7.287 6.982 -0.287
115 HD3 PRO 16 HD1 PRO 16 -8.237 5.485 -0.098
116 H THR 17 HN THR 17 -4.858 7.286 -0.707
117 HA THR 17 HA THR 17 -2.296 7.672 -1.898
118 HB THR 17 HB THR 17 -3.365 9.191 0.479
119 HG1 THR 17 HG1 THR 17 -4.184 9.261 -2.237
120 HG21 THR 17 HG21 THR 17 -2.164 11.053 -0.556
121 HG22 THR 17 HG22 THR 17 -1.678 10.010 -1.894
122 HG23 THR 17 HG23 THR 17 -1.081 9.691 -0.264
123 H SER 18 HN SER 18 -3.452 6.670 1.303
124 HA SER 18 HA SER 18 -0.794 6.686 2.369
125 HB2 SER 18 HB2 SER 18 -3.394 5.698 3.557
126 HB3 SER 18 HB1 SER 18 -1.862 5.759 4.429
127 HG SER 18 HG SER 18 -3.637 7.757 3.923
128 H LYS 19 HN LYS 19 -2.915 4.291 0.960
129 HA LYS 19 HA LYS 19 -1.210 2.079 1.484
130 HB2 LYS 19 HB2 LYS 19 -3.091 1.170 0.608
131 HB3 LYS 19 HB1 LYS 19 -3.511 2.633 -0.267
132 HG2 LYS 19 HG2 LYS 19 -1.703 1.969 -1.937
133 HG3 LYS 19 HG1 LYS 19 -1.683 0.403 -1.128
134 HD2 LYS 19 HD2 LYS 19 -3.885 -0.074 -1.764
135 HD3 LYS 19 HD1 LYS 19 -4.223 1.610 -2.173
136 HE2 LYS 19 HE2 LYS 19 -3.961 0.281 -4.191
137 HE3 LYS 19 HE1 LYS 19 -2.660 1.461 -4.050
138 HZ1 LYS 19 HZ1 LYS 19 -1.751 -0.628 -4.735
139 HZ2 LYS 19 HZ2 LYS 19 -2.500 -1.441 -3.448
140 HZ3 LYS 19 HZ3 LYS 19 -1.257 -0.333 -3.143
141 H MET 20 HN MET 20 -0.985 4.844 -0.503
142 HA MET 20 HA MET 20 0.612 3.589 -2.563
143 HB2 MET 20 HB2 MET 20 -1.003 5.505 -2.960
144 HB3 MET 20 HB1 MET 20 0.166 6.542 -2.134
145 HG2 MET 20 HG2 MET 20 0.409 6.679 -4.554
146 HG3 MET 20 HG1 MET 20 1.852 6.020 -3.788
147 HE1 MET 20 HE1 MET 20 1.993 4.024 -7.081
148 HE2 MET 20 HE2 MET 20 2.911 4.925 -5.875
149 HE3 MET 20 HE3 MET 20 1.660 5.736 -6.817
150 H ARG 21 HN ARG 21 1.161 6.157 -0.147
151 HA ARG 21 HA ARG 21 3.945 6.281 -0.448
152 HB2 ARG 21 HB2 ARG 21 3.994 7.415 1.691
153 HB3 ARG 21 HB1 ARG 21 2.595 7.962 0.784
154 HG2 ARG 21 HG2 ARG 21 1.145 6.528 2.108
155 HG3 ARG 21 HG1 ARG 21 2.543 5.925 3.001
156 HD2 ARG 21 HD2 ARG 21 2.999 8.329 3.649
157 HD3 ARG 21 HD1 ARG 21 1.408 8.713 2.994
158 HE ARG 21 HE ARG 21 0.892 6.697 4.732
159 HH11 ARG 21 HH11 ARG 21 2.602 9.736 5.021
160 HH12 ARG 21 HH12 ARG 21 2.227 9.948 6.701
161 HH21 ARG 21 HH21 ARG 21 0.395 6.940 6.930
162 HH22 ARG 21 HH22 ARG 21 0.965 8.329 7.810
163 H HIS 22 HN HIS 22 1.880 4.177 1.398
164 HA HIS 22 HA HIS 22 3.806 2.811 2.923
165 HB2 HIS 22 HB2 HIS 22 1.515 2.575 3.499
166 HB3 HIS 22 HB1 HIS 22 1.059 2.132 1.857
167 HD1 HIS 22 HD1 HIS 22 1.942 0.706 5.115
168 HD2 HIS 22 HD2 HIS 22 1.802 -0.547 1.148
169 HE1 HIS 22 HE1 HIS 22 1.872 -1.818 5.167
170 H LEU 23 HN LEU 23 2.437 2.178 -0.269
171 HA LEU 23 HA LEU 23 3.688 -0.307 -0.692
172 HB2 LEU 23 HB2 LEU 23 1.671 0.654 -1.881
173 HB3 LEU 23 HB1 LEU 23 2.794 1.628 -2.823
174 HG LEU 23 HG LEU 23 3.693 -1.041 -3.007
175 HD11 LEU 23 HD11 LEU 23 1.745 -2.170 -3.942
176 HD12 LEU 23 HD12 LEU 23 0.738 -0.782 -3.528
177 HD13 LEU 23 HD13 LEU 23 1.482 -1.741 -2.248
178 HD21 LEU 23 HD21 LEU 23 3.952 0.718 -4.681
179 HD22 LEU 23 HD22 LEU 23 2.213 0.685 -4.986
180 HD23 LEU 23 HD23 LEU 23 3.203 -0.724 -5.369
181 H GLU 24 HN GLU 24 4.594 3.001 -1.591
182 HA GLU 24 HA GLU 24 6.871 2.112 -3.112
183 HB2 GLU 24 HB2 GLU 24 7.342 4.471 -3.444
184 HB3 GLU 24 HB1 GLU 24 5.639 4.145 -3.728
185 HG2 GLU 24 HG2 GLU 24 5.023 5.112 -1.646
186 HG3 GLU 24 HG1 GLU 24 6.714 5.232 -1.140
187 H THR 25 HN THR 25 6.397 2.250 0.147
188 HA THR 25 HA THR 25 9.104 3.178 0.716
189 HB THR 25 HB THR 25 6.904 2.424 2.653
190 HG1 THR 25 HG1 THR 25 6.536 4.394 1.498
191 HG21 THR 25 HG21 THR 25 8.345 3.430 4.365
192 HG22 THR 25 HG22 THR 25 9.606 3.681 3.155
193 HG23 THR 25 HG23 THR 25 9.127 2.044 3.609
194 H HIS 26 HN HIS 26 7.115 0.223 0.916
195 HA HIS 26 HA HIS 26 9.542 -1.124 1.883
196 HB2 HIS 26 HB2 HIS 26 8.292 -2.604 3.127
197 HB3 HIS 26 HB1 HIS 26 7.333 -1.135 3.255
198 HD1 HIS 26 HD1 HIS 26 7.064 -4.653 2.510
199 HD2 HIS 26 HD2 HIS 26 5.037 -1.208 1.319
200 HE1 HIS 26 HE1 HIS 26 4.735 -5.380 1.791
201 H ASP 27 HN ASP 27 8.430 -0.551 -0.971
202 HA ASP 27 HA ASP 27 8.091 -3.124 -2.131
203 HB2 ASP 27 HB2 ASP 27 8.271 -2.063 -4.252
204 HB3 ASP 27 HB1 ASP 27 7.445 -0.917 -3.203
205 H THR 28 HN THR 28 9.580 -4.436 -3.179
206 HA THR 28 HA THR 28 12.100 -4.480 -1.839
207 HB THR 28 HB THR 28 12.498 -6.538 -3.231
208 HG1 THR 28 HG1 THR 28 11.288 -6.636 -4.971
209 HG21 THR 28 HG21 THR 28 10.823 -7.889 -2.066
210 HG22 THR 28 HG22 THR 28 9.902 -6.432 -1.694
211 HG23 THR 28 HG23 THR 28 11.505 -6.661 -0.998
212 H ASP 29 HN ASP 29 14.145 -4.282 -2.667
213 HA ASP 29 HA ASP 29 14.739 -2.542 -4.753
214 HB2 ASP 29 HB2 ASP 29 16.404 -3.053 -3.102
215 HB3 ASP 29 HB1 ASP 29 16.358 -4.766 -3.496
216 H LYS 30 HN LYS 30 14.362 -6.036 -4.748
217 HA LYS 30 HA LYS 30 14.706 -6.063 -7.656
218 HB2 LYS 30 HB2 LYS 30 15.995 -7.711 -6.311
219 HB3 LYS 30 HB1 LYS 30 14.476 -8.401 -5.755
220 HG2 LYS 30 HG2 LYS 30 13.933 -9.206 -7.894
221 HG3 LYS 30 HG1 LYS 30 15.171 -8.216 -8.669
222 HD2 LYS 30 HD2 LYS 30 16.907 -9.529 -7.514
223 HD3 LYS 30 HD1 LYS 30 15.645 -10.546 -6.816
224 HE2 LYS 30 HE2 LYS 30 14.996 -11.344 -8.966
225 HE3 LYS 30 HE1 LYS 30 16.024 -10.163 -9.777
226 HZ1 LYS 30 HZ1 LYS 30 16.968 -12.417 -8.083
227 HZ2 LYS 30 HZ2 LYS 30 17.962 -11.276 -8.849
228 HZ3 LYS 30 HZ3 LYS 30 17.032 -12.351 -9.778
Start of MODEL 17
1 H1 MET 1 HT1 MET 1 -16.307 -1.970 -3.875
2 H2 MET 1 HT2 MET 1 -16.058 -2.434 -5.490
3 H3 MET 1 HT3 MET 1 -16.292 -0.802 -5.103
4 HA MET 1 HA MET 1 -14.013 -2.423 -4.149
5 HB2 MET 1 HB2 MET 1 -14.234 -0.496 -6.464
6 HB3 MET 1 HB1 MET 1 -12.700 -0.970 -5.753
7 HG2 MET 1 HG2 MET 1 -14.686 -2.872 -6.979
8 HG3 MET 1 HG1 MET 1 -13.270 -2.219 -7.801
9 HE1 MET 1 HE1 MET 1 -11.091 -2.179 -5.550
10 HE2 MET 1 HE2 MET 1 -10.765 -2.815 -7.161
11 HE3 MET 1 HE3 MET 1 -10.329 -3.759 -5.737
12 H LYS 2 HN LYS 2 -14.286 -1.543 -2.062
13 HA LYS 2 HA LYS 2 -14.006 1.362 -1.841
14 HB2 LYS 2 HB2 LYS 2 -14.601 -0.705 0.280
15 HB3 LYS 2 HB1 LYS 2 -14.413 1.015 0.592
16 HG2 LYS 2 HG2 LYS 2 -16.552 -0.320 -1.050
17 HG3 LYS 2 HG1 LYS 2 -16.744 0.507 0.497
18 HD2 LYS 2 HD2 LYS 2 -15.943 2.601 -0.641
19 HD3 LYS 2 HD1 LYS 2 -16.036 1.725 -2.168
20 HE2 LYS 2 HE2 LYS 2 -18.443 1.267 -1.657
21 HE3 LYS 2 HE1 LYS 2 -18.294 2.349 -0.273
22 HZ1 LYS 2 HZ1 LYS 2 -18.109 3.003 -3.149
23 HZ2 LYS 2 HZ2 LYS 2 -17.472 4.041 -1.968
24 HZ3 LYS 2 HZ3 LYS 2 -19.126 3.683 -1.972
25 HA PRO 3 HA PRO 3 -10.045 0.056 0.343
26 HB2 PRO 3 HB2 PRO 3 -9.766 -2.675 0.972
27 HB3 PRO 3 HB1 PRO 3 -10.278 -1.388 2.076
28 HG2 PRO 3 HG2 PRO 3 -11.853 -3.527 1.190
29 HG3 PRO 3 HG1 PRO 3 -12.439 -2.057 1.987
30 HD2 PRO 3 HD2 PRO 3 -12.343 -2.732 -0.924
31 HD3 PRO 3 HD1 PRO 3 -13.590 -1.845 -0.011
32 H TYR 4 HN TYR 4 -8.119 -0.188 -0.588
33 HA TYR 4 HA TYR 4 -7.985 -1.791 -3.048
34 HB2 TYR 4 HB2 TYR 4 -6.200 0.502 -2.202
35 HB3 TYR 4 HB1 TYR 4 -6.278 -0.256 -3.799
36 HD1 TYR 4 HD2 TYR 4 -8.445 0.012 -5.135
37 HD2 TYR 4 HD1 TYR 4 -7.564 2.323 -1.671
38 HE1 TYR 4 HE2 TYR 4 -10.125 1.673 -5.825
39 HE2 TYR 4 HE1 TYR 4 -9.237 3.989 -2.351
40 HH TYR 4 HH TYR 4 -10.347 4.753 -4.398
41 H GLN 5 HN GLN 5 -6.613 -3.500 -3.123
42 HA GLN 5 HA GLN 5 -5.319 -4.242 -0.666
43 HB2 GLN 5 HB2 GLN 5 -4.861 -6.342 -1.693
44 HB3 GLN 5 HB1 GLN 5 -6.476 -5.864 -2.198
45 HG2 GLN 5 HG2 GLN 5 -5.733 -5.300 -4.370
46 HG3 GLN 5 HG1 GLN 5 -4.040 -5.370 -3.883
47 HE21 GLN 5 HE21 GLN 5 -5.348 -6.785 -6.046
48 HE22 GLN 5 HE22 GLN 5 -5.121 -8.474 -5.730
49 H CYS 6 HN CYS 6 -3.101 -4.874 -0.452
50 HA CYS 6 HA CYS 6 -1.270 -3.503 -2.306
51 HB2 CYS 6 HB2 CYS 6 -1.041 -2.734 -0.023
52 HB3 CYS 6 HB1 CYS 6 -0.940 -4.384 0.558
53 H ASP 7 HN ASP 7 -0.157 -4.762 -3.642
54 HA ASP 7 HA ASP 7 -0.652 -7.535 -3.764
55 HB2 ASP 7 HB2 ASP 7 -0.141 -6.039 -5.706
56 HB3 ASP 7 HB1 ASP 7 1.547 -6.025 -5.189
57 H TYR 8 HN TYR 8 1.548 -5.898 -1.804
58 HA TYR 8 HA TYR 8 3.398 -8.191 -1.736
59 HB2 TYR 8 HB2 TYR 8 3.766 -5.533 -0.344
60 HB3 TYR 8 HB1 TYR 8 4.987 -6.769 -0.647
61 HD1 TYR 8 HD2 TYR 8 5.954 -7.025 -2.876
62 HD2 TYR 8 HD1 TYR 8 3.154 -3.938 -2.032
63 HE1 TYR 8 HE2 TYR 8 6.606 -5.879 -4.943
64 HE2 TYR 8 HE1 TYR 8 3.798 -2.780 -4.098
65 HH TYR 8 HH TYR 8 5.543 -2.646 -5.665
66 H CYS 9 HN CYS 9 0.978 -6.461 -0.075
67 HA CYS 9 HA CYS 9 1.701 -7.506 2.549
68 HB2 CYS 9 HB2 CYS 9 -0.034 -5.357 1.484
69 HB3 CYS 9 HB1 CYS 9 -0.455 -6.037 3.031
70 H GLY 10 HN GLY 10 -0.851 -7.714 0.129
71 HA2 GLY 10 HA2 GLY 10 -2.728 -9.059 0.027
72 HA3 GLY 10 HA1 GLY 10 -2.139 -9.916 1.458
73 H ARG 11 HN ARG 11 -2.153 -6.570 1.829
74 HA ARG 11 HA ARG 11 -4.556 -6.723 3.505
75 HB2 ARG 11 HB2 ARG 11 -2.593 -6.341 4.846
76 HB3 ARG 11 HB1 ARG 11 -2.039 -5.081 3.752
77 HG2 ARG 11 HG2 ARG 11 -3.625 -3.560 4.503
78 HG3 ARG 11 HG1 ARG 11 -4.607 -4.813 5.264
79 HD2 ARG 11 HD2 ARG 11 -3.190 -3.317 6.787
80 HD3 ARG 11 HD1 ARG 11 -3.125 -5.065 7.049
81 HE ARG 11 HE ARG 11 -0.993 -4.996 5.743
82 HH11 ARG 11 HH11 ARG 11 -2.143 -2.166 7.457
83 HH12 ARG 11 HH12 ARG 11 -0.563 -1.478 7.658
84 HH21 ARG 11 HH21 ARG 11 1.101 -4.138 6.074
85 HH22 ARG 11 HH22 ARG 11 1.294 -2.616 6.890
86 H SER 12 HN SER 12 -6.162 -5.368 3.135
87 HA SER 12 HA SER 12 -5.981 -3.650 0.790
88 HB2 SER 12 HB2 SER 12 -8.412 -4.377 2.432
89 HB3 SER 12 HB1 SER 12 -8.393 -3.673 0.815
90 HG SER 12 HG SER 12 -7.451 -6.244 1.566
91 H PHE 13 HN PHE 13 -5.559 -1.580 1.034
92 HA PHE 13 HA PHE 13 -6.183 -0.253 3.570
93 HB2 PHE 13 HB2 PHE 13 -4.563 0.824 1.251
94 HB3 PHE 13 HB1 PHE 13 -4.659 1.489 2.884
95 HD1 PHE 13 HD1 PHE 13 -3.537 0.360 4.744
96 HD2 PHE 13 HD2 PHE 13 -3.109 -1.002 0.741
97 HE1 PHE 13 HE1 PHE 13 -1.576 -0.961 5.413
98 HE2 PHE 13 HE2 PHE 13 -1.143 -2.327 1.396
99 HZ PHE 13 HZ PHE 13 -0.339 -2.296 3.687
100 H SER 14 HN SER 14 -7.959 0.944 3.677
101 HA SER 14 HA SER 14 -9.443 1.584 1.280
102 HB2 SER 14 HB2 SER 14 -10.555 0.815 3.388
103 HB3 SER 14 HB1 SER 14 -10.034 2.309 4.165
104 HG SER 14 HG SER 14 -11.225 3.080 1.989
105 H ASP 15 HN ASP 15 -6.777 2.814 2.031
106 HA ASP 15 HA ASP 15 -7.577 5.632 1.754
107 HB2 ASP 15 HB2 ASP 15 -5.341 4.588 3.522
108 HB3 ASP 15 HB1 ASP 15 -5.690 6.286 3.216
109 HA PRO 16 HA PRO 16 -5.155 4.549 -1.906
110 HB2 PRO 16 HB2 PRO 16 -5.771 7.394 -2.508
111 HB3 PRO 16 HB1 PRO 16 -6.010 5.951 -3.502
112 HG2 PRO 16 HG2 PRO 16 -8.081 7.153 -2.323
113 HG3 PRO 16 HG1 PRO 16 -7.993 5.387 -2.445
114 HD2 PRO 16 HD2 PRO 16 -7.474 7.156 -0.094
115 HD3 PRO 16 HD1 PRO 16 -8.262 5.561 -0.162
116 H THR 17 HN THR 17 -4.812 7.648 -0.218
117 HA THR 17 HA THR 17 -2.255 8.256 -1.217
118 HB THR 17 HB THR 17 -3.333 9.225 1.428
119 HG1 THR 17 HG1 THR 17 -4.236 9.708 -1.193
120 HG21 THR 17 HG21 THR 17 -1.598 10.492 -0.697
121 HG22 THR 17 HG22 THR 17 -1.066 9.926 0.887
122 HG23 THR 17 HG23 THR 17 -2.165 11.301 0.762
123 H SER 18 HN SER 18 -3.330 6.658 1.771
124 HA SER 18 HA SER 18 -0.672 6.431 2.792
125 HB2 SER 18 HB2 SER 18 -3.230 5.064 3.663
126 HB3 SER 18 HB1 SER 18 -1.698 4.967 4.532
127 HG SER 18 HG SER 18 -3.301 7.263 4.065
128 H LYS 19 HN LYS 19 -2.854 4.277 1.070
129 HA LYS 19 HA LYS 19 -1.168 2.016 1.138
130 HB2 LYS 19 HB2 LYS 19 -3.266 1.445 0.412
131 HB3 LYS 19 HB1 LYS 19 -3.485 2.941 -0.482
132 HG2 LYS 19 HG2 LYS 19 -1.943 2.067 -2.217
133 HG3 LYS 19 HG1 LYS 19 -1.880 0.539 -1.333
134 HD2 LYS 19 HD2 LYS 19 -4.148 0.093 -1.734
135 HD3 LYS 19 HD1 LYS 19 -4.475 1.762 -2.208
136 HE2 LYS 19 HE2 LYS 19 -4.425 0.276 -4.144
137 HE3 LYS 19 HE1 LYS 19 -3.133 1.474 -4.208
138 HZ1 LYS 19 HZ1 LYS 19 -2.774 -1.313 -3.248
139 HZ2 LYS 19 HZ2 LYS 19 -1.562 -0.161 -3.523
140 HZ3 LYS 19 HZ3 LYS 19 -2.432 -0.799 -4.825
141 H MET 20 HN MET 20 -0.902 5.028 -0.378
142 HA MET 20 HA MET 20 0.549 4.047 -2.705
143 HB2 MET 20 HB2 MET 20 -1.096 5.973 -2.759
144 HB3 MET 20 HB1 MET 20 0.095 6.910 -1.856
145 HG2 MET 20 HG2 MET 20 0.203 7.422 -4.216
146 HG3 MET 20 HG1 MET 20 1.692 6.647 -3.678
147 HE1 MET 20 HE1 MET 20 1.237 5.426 -7.393
148 HE2 MET 20 HE2 MET 20 2.314 6.235 -6.257
149 HE3 MET 20 HE3 MET 20 0.797 7.000 -6.728
150 H ARG 21 HN ARG 21 1.132 6.235 0.020
151 HA ARG 21 HA ARG 21 3.917 6.436 -0.303
152 HB2 ARG 21 HB2 ARG 21 2.223 6.668 2.192
153 HB3 ARG 21 HB1 ARG 21 3.914 7.135 2.089
154 HG2 ARG 21 HG2 ARG 21 3.299 8.780 0.341
155 HG3 ARG 21 HG1 ARG 21 1.601 8.370 0.615
156 HD2 ARG 21 HD2 ARG 21 2.360 10.391 1.853
157 HD3 ARG 21 HD1 ARG 21 1.732 9.111 2.897
158 HE ARG 21 HE ARG 21 4.631 9.390 2.435
159 HH11 ARG 21 HH11 ARG 21 1.896 9.468 4.620
160 HH12 ARG 21 HH12 ARG 21 2.863 9.289 6.053
161 HH21 ARG 21 HH21 ARG 21 5.911 9.144 4.296
162 HH22 ARG 21 HH22 ARG 21 5.165 9.148 5.870
163 H HIS 22 HN HIS 22 1.878 4.156 1.430
164 HA HIS 22 HA HIS 22 3.952 2.746 2.730
165 HB2 HIS 22 HB2 HIS 22 1.713 2.512 3.538
166 HB3 HIS 22 HB1 HIS 22 1.129 1.987 1.955
167 HD1 HIS 22 HD1 HIS 22 3.157 0.724 4.914
168 HD2 HIS 22 HD2 HIS 22 1.235 -0.657 1.492
169 HE1 HIS 22 HE1 HIS 22 3.119 -1.797 5.085
170 H LEU 23 HN LEU 23 2.405 2.386 -0.426
171 HA LEU 23 HA LEU 23 3.616 -0.045 -1.179
172 HB2 LEU 23 HB2 LEU 23 1.789 1.640 -2.308
173 HB3 LEU 23 HB1 LEU 23 3.198 1.938 -3.319
174 HG LEU 23 HG LEU 23 3.326 -0.574 -3.665
175 HD11 LEU 23 HD11 LEU 23 1.228 -1.808 -3.281
176 HD12 LEU 23 HD12 LEU 23 0.585 -0.403 -2.424
177 HD13 LEU 23 HD13 LEU 23 1.983 -1.267 -1.780
178 HD21 LEU 23 HD21 LEU 23 1.635 -0.563 -5.396
179 HD22 LEU 23 HD22 LEU 23 2.436 1.007 -5.341
180 HD23 LEU 23 HD23 LEU 23 0.829 0.811 -4.641
181 H GLU 24 HN GLU 24 4.572 3.323 -1.625
182 HA GLU 24 HA GLU 24 6.926 2.970 -3.062
183 HB2 GLU 24 HB2 GLU 24 5.917 5.150 -2.741
184 HB3 GLU 24 HB1 GLU 24 6.161 5.051 -1.004
185 HG2 GLU 24 HG2 GLU 24 8.611 5.030 -1.414
186 HG3 GLU 24 HG1 GLU 24 8.268 5.307 -3.129
187 H THR 25 HN THR 25 6.289 2.763 0.382
188 HA THR 25 HA THR 25 9.053 2.642 1.126
189 HB THR 25 HB THR 25 6.648 1.972 2.842
190 HG1 THR 25 HG1 THR 25 6.333 4.049 2.036
191 HG21 THR 25 HG21 THR 25 9.396 3.011 3.557
192 HG22 THR 25 HG22 THR 25 8.839 1.356 3.792
193 HG23 THR 25 HG23 THR 25 8.085 2.672 4.691
194 H HIS 26 HN HIS 26 7.157 0.402 -0.382
195 HA HIS 26 HA HIS 26 8.010 -1.930 1.075
196 HB2 HIS 26 HB2 HIS 26 6.400 -1.456 -1.370
197 HB3 HIS 26 HB1 HIS 26 7.240 -3.002 -1.258
198 HD1 HIS 26 HD1 HIS 26 6.493 -4.631 0.674
199 HD2 HIS 26 HD2 HIS 26 4.291 -1.100 0.396
200 HE1 HIS 26 HE1 HIS 26 4.388 -4.954 2.072
201 H ASP 27 HN ASP 27 9.675 0.159 -0.839
202 HA ASP 27 HA ASP 27 11.423 -1.804 -2.055
203 HB2 ASP 27 HB2 ASP 27 11.041 0.474 -3.052
204 HB3 ASP 27 HB1 ASP 27 11.904 1.163 -1.679
205 H THR 28 HN THR 28 11.318 -2.672 0.301
206 HA THR 28 HA THR 28 13.756 -1.813 1.697
207 HB THR 28 HB THR 28 12.484 -2.375 3.852
208 HG1 THR 28 HG1 THR 28 10.081 -1.633 2.823
209 HG21 THR 28 HG21 THR 28 11.449 -0.135 3.986
210 HG22 THR 28 HG22 THR 28 11.639 0.038 2.243
211 HG23 THR 28 HG23 THR 28 13.063 -0.080 3.272
212 H ASP 29 HN ASP 29 14.121 -3.577 3.539
213 HA ASP 29 HA ASP 29 14.172 -6.144 2.137
214 HB2 ASP 29 HB2 ASP 29 15.949 -6.778 3.624
215 HB3 ASP 29 HB1 ASP 29 16.302 -5.158 3.033
216 H LYS 30 HN LYS 30 11.890 -4.882 3.694
217 HA LYS 30 HA LYS 30 11.457 -7.036 5.646
218 HB2 LYS 30 HB2 LYS 30 11.498 -4.702 6.550
219 HB3 LYS 30 HB1 LYS 30 10.116 -4.325 5.531
220 HG2 LYS 30 HG2 LYS 30 9.428 -4.764 7.818
221 HG3 LYS 30 HG1 LYS 30 8.773 -5.975 6.715
222 HD2 LYS 30 HD2 LYS 30 9.594 -6.996 8.780
223 HD3 LYS 30 HD1 LYS 30 10.514 -7.545 7.380
224 HE2 LYS 30 HE2 LYS 30 11.981 -7.067 9.275
225 HE3 LYS 30 HE1 LYS 30 12.302 -5.979 7.925
226 HZ1 LYS 30 HZ1 LYS 30 11.194 -4.220 9.021
227 HZ2 LYS 30 HZ2 LYS 30 12.217 -4.921 10.178
228 HZ3 LYS 30 HZ3 LYS 30 10.555 -5.248 10.206
Start of MODEL 18
1 H1 MET 1 HT1 MET 1 -13.900 6.023 -0.049
2 H2 MET 1 HT2 MET 1 -13.654 4.840 -1.237
3 H3 MET 1 HT3 MET 1 -12.733 4.818 0.186
4 HA MET 1 HA MET 1 -14.742 4.427 1.486
5 HB2 MET 1 HB2 MET 1 -16.299 5.464 -0.123
6 HB3 MET 1 HB1 MET 1 -16.031 4.128 -1.233
7 HG2 MET 1 HG2 MET 1 -16.982 2.580 0.395
8 HG3 MET 1 HG1 MET 1 -17.249 3.918 1.512
9 HE1 MET 1 HE1 MET 1 -19.537 1.912 0.676
10 HE2 MET 1 HE2 MET 1 -20.879 3.007 0.347
11 HE3 MET 1 HE3 MET 1 -19.833 3.288 1.738
12 H LYS 2 HN LYS 2 -13.930 2.883 -1.632
13 HA LYS 2 HA LYS 2 -14.087 0.263 -0.399
14 HB2 LYS 2 HB2 LYS 2 -13.366 -0.555 -2.664
15 HB3 LYS 2 HB1 LYS 2 -14.866 0.350 -2.656
16 HG2 LYS 2 HG2 LYS 2 -13.789 1.144 -4.536
17 HG3 LYS 2 HG1 LYS 2 -13.400 2.362 -3.324
18 HD2 LYS 2 HD2 LYS 2 -11.428 1.813 -4.630
19 HD3 LYS 2 HD1 LYS 2 -11.221 1.285 -2.961
20 HE2 LYS 2 HE2 LYS 2 -10.408 -0.406 -4.506
21 HE3 LYS 2 HE1 LYS 2 -11.805 -1.000 -3.608
22 HZ1 LYS 2 HZ1 LYS 2 -13.194 -0.644 -5.505
23 HZ2 LYS 2 HZ2 LYS 2 -11.847 -1.536 -6.012
24 HZ3 LYS 2 HZ3 LYS 2 -11.948 0.122 -6.360
25 HA PRO 3 HA PRO 3 -9.840 0.187 0.667
26 HB2 PRO 3 HB2 PRO 3 -9.718 -2.608 0.975
27 HB3 PRO 3 HB1 PRO 3 -10.216 -1.433 2.199
28 HG2 PRO 3 HG2 PRO 3 -11.852 -3.366 0.994
29 HG3 PRO 3 HG1 PRO 3 -12.395 -1.977 1.951
30 HD2 PRO 3 HD2 PRO 3 -12.227 -2.290 -1.014
31 HD3 PRO 3 HD1 PRO 3 -13.449 -1.440 -0.037
32 H TYR 4 HN TYR 4 -7.937 0.066 -0.241
33 HA TYR 4 HA TYR 4 -7.668 -1.274 -2.835
34 HB2 TYR 4 HB2 TYR 4 -5.942 0.882 -1.579
35 HB3 TYR 4 HB1 TYR 4 -5.775 0.241 -3.218
36 HD1 TYR 4 HD1 TYR 4 -8.040 2.169 -0.992
37 HD2 TYR 4 HD2 TYR 4 -7.036 1.137 -4.995
38 HE1 TYR 4 HE1 TYR 4 -9.587 3.890 -1.816
39 HE2 TYR 4 HE2 TYR 4 -8.578 2.859 -5.832
40 HH TYR 4 HH TYR 4 -10.088 5.175 -3.705
41 H GLN 5 HN GLN 5 -6.946 -3.288 -2.507
42 HA GLN 5 HA GLN 5 -5.276 -4.033 -0.324
43 HB2 GLN 5 HB2 GLN 5 -5.154 -6.234 -1.561
44 HB3 GLN 5 HB1 GLN 5 -6.769 -5.687 -1.131
45 HG2 GLN 5 HG2 GLN 5 -7.128 -4.898 -3.398
46 HG3 GLN 5 HG1 GLN 5 -5.488 -5.377 -3.836
47 HE21 GLN 5 HE21 GLN 5 -5.542 -7.814 -2.301
48 HE22 GLN 5 HE22 GLN 5 -6.544 -8.924 -3.172
49 H CYS 6 HN CYS 6 -3.130 -4.475 -0.238
50 HA CYS 6 HA CYS 6 -1.494 -3.424 -2.409
51 HB2 CYS 6 HB2 CYS 6 -0.974 -2.773 -0.118
52 HB3 CYS 6 HB1 CYS 6 -0.846 -4.460 0.346
53 H ASP 7 HN ASP 7 -0.377 -4.707 -3.816
54 HA ASP 7 HA ASP 7 -1.014 -7.504 -3.846
55 HB2 ASP 7 HB2 ASP 7 0.786 -5.858 -5.634
56 HB3 ASP 7 HB1 ASP 7 0.403 -7.561 -5.909
57 H TYR 8 HN TYR 8 1.260 -5.859 -2.119
58 HA TYR 8 HA TYR 8 3.252 -8.029 -2.233
59 HB2 TYR 8 HB2 TYR 8 3.327 -5.323 -0.870
60 HB3 TYR 8 HB1 TYR 8 4.609 -6.526 -0.775
61 HD1 TYR 8 HD1 TYR 8 2.734 -4.446 -3.238
62 HD2 TYR 8 HD2 TYR 8 6.351 -6.463 -2.285
63 HE1 TYR 8 HE1 TYR 8 3.812 -3.421 -5.191
64 HE2 TYR 8 HE2 TYR 8 7.441 -5.446 -4.234
65 HH TYR 8 HH TYR 8 6.135 -2.845 -5.934
66 H CYS 9 HN CYS 9 0.826 -6.496 -0.404
67 HA CYS 9 HA CYS 9 1.714 -7.680 2.115
68 HB2 CYS 9 HB2 CYS 9 0.066 -5.329 1.324
69 HB3 CYS 9 HB1 CYS 9 -0.079 -5.974 2.931
70 H GLY 10 HN GLY 10 -1.043 -7.511 -0.058
71 HA2 GLY 10 HA2 GLY 10 -2.871 -8.938 -0.177
72 HA3 GLY 10 HA1 GLY 10 -2.304 -9.745 1.286
73 H ARG 11 HN ARG 11 -2.200 -6.521 1.948
74 HA ARG 11 HA ARG 11 -4.692 -6.756 3.452
75 HB2 ARG 11 HB2 ARG 11 -2.760 -6.246 4.819
76 HB3 ARG 11 HB1 ARG 11 -2.325 -4.895 3.768
77 HG2 ARG 11 HG2 ARG 11 -4.372 -3.742 4.401
78 HG3 ARG 11 HG1 ARG 11 -4.810 -5.080 5.460
79 HD2 ARG 11 HD2 ARG 11 -2.907 -4.656 6.868
80 HD3 ARG 11 HD1 ARG 11 -2.300 -3.427 5.748
81 HE ARG 11 HE ARG 11 -4.927 -2.779 6.597
82 HH11 ARG 11 HH11 ARG 11 -1.644 -2.873 7.818
83 HH12 ARG 11 HH12 ARG 11 -1.877 -1.527 8.897
84 HH21 ARG 11 HH21 ARG 11 -5.242 -1.063 8.032
85 HH22 ARG 11 HH22 ARG 11 -3.935 -0.513 9.036
86 H SER 12 HN SER 12 -6.332 -5.331 3.252
87 HA SER 12 HA SER 12 -6.264 -3.637 0.879
88 HB2 SER 12 HB2 SER 12 -8.583 -4.346 2.691
89 HB3 SER 12 HB1 SER 12 -8.690 -3.553 1.119
90 HG SER 12 HG SER 12 -7.624 -6.152 1.554
91 H PHE 13 HN PHE 13 -5.402 -1.691 1.264
92 HA PHE 13 HA PHE 13 -5.926 -0.292 3.768
93 HB2 PHE 13 HB2 PHE 13 -4.386 0.673 1.349
94 HB3 PHE 13 HB1 PHE 13 -4.362 1.371 2.969
95 HD1 PHE 13 HD2 PHE 13 -3.164 -1.339 0.836
96 HD2 PHE 13 HD1 PHE 13 -3.047 0.351 4.740
97 HE1 PHE 13 HE2 PHE 13 -1.187 -2.698 1.360
98 HE2 PHE 13 HE1 PHE 13 -1.054 -1.001 5.267
99 HZ PHE 13 HZ PHE 13 -0.112 -2.534 3.567
100 H SER 14 HN SER 14 -7.640 1.004 3.980
101 HA SER 14 HA SER 14 -9.307 1.506 1.688
102 HB2 SER 14 HB2 SER 14 -10.214 0.907 3.945
103 HB3 SER 14 HB1 SER 14 -9.681 2.484 4.529
104 HG SER 14 HG SER 14 -11.001 3.199 2.536
105 H ASP 15 HN ASP 15 -6.562 2.903 2.484
106 HA ASP 15 HA ASP 15 -7.491 5.577 1.656
107 HB2 ASP 15 HB2 ASP 15 -5.519 4.790 3.736
108 HB3 ASP 15 HB1 ASP 15 -5.099 6.177 2.735
109 HA PRO 16 HA PRO 16 -5.331 4.068 -1.972
110 HB2 PRO 16 HB2 PRO 16 -5.729 6.405 -3.404
111 HB3 PRO 16 HB1 PRO 16 -6.865 5.056 -3.330
112 HG2 PRO 16 HG2 PRO 16 -6.857 7.615 -1.792
113 HG3 PRO 16 HG1 PRO 16 -8.227 6.732 -2.491
114 HD2 PRO 16 HD2 PRO 16 -7.693 6.633 0.135
115 HD3 PRO 16 HD1 PRO 16 -8.292 5.200 -0.741
116 H THR 17 HN THR 17 -4.774 7.188 -0.442
117 HA THR 17 HA THR 17 -2.259 7.579 -1.784
118 HB THR 17 HB THR 17 -3.344 9.145 0.559
119 HG1 THR 17 HG1 THR 17 -3.921 9.263 -2.225
120 HG21 THR 17 HG21 THR 17 -1.462 9.887 -1.687
121 HG22 THR 17 HG22 THR 17 -0.993 9.563 -0.018
122 HG23 THR 17 HG23 THR 17 -2.003 10.959 -0.394
123 H SER 18 HN SER 18 -3.359 6.384 1.336
124 HA SER 18 HA SER 18 -0.699 6.410 2.435
125 HB2 SER 18 HB2 SER 18 -3.205 5.094 3.514
126 HB3 SER 18 HB1 SER 18 -1.706 5.351 4.407
127 HG SER 18 HG SER 18 -2.293 7.703 3.512
128 H LYS 19 HN LYS 19 -2.865 4.095 0.975
129 HA LYS 19 HA LYS 19 -1.169 1.852 1.208
130 HB2 LYS 19 HB2 LYS 19 -3.310 1.270 0.621
131 HB3 LYS 19 HB1 LYS 19 -3.526 2.648 -0.438
132 HG2 LYS 19 HG2 LYS 19 -1.665 0.455 -1.230
133 HG3 LYS 19 HG1 LYS 19 -3.406 0.224 -1.392
134 HD2 LYS 19 HD2 LYS 19 -3.478 2.350 -2.710
135 HD3 LYS 19 HD1 LYS 19 -1.714 2.372 -2.665
136 HE2 LYS 19 HE2 LYS 19 -1.702 0.159 -3.757
137 HE3 LYS 19 HE1 LYS 19 -3.460 0.243 -3.881
138 HZ1 LYS 19 HZ1 LYS 19 -2.612 0.970 -5.944
139 HZ2 LYS 19 HZ2 LYS 19 -1.457 1.973 -5.213
140 HZ3 LYS 19 HZ3 LYS 19 -3.098 2.382 -5.134
141 H MET 20 HN MET 20 -0.967 4.734 -0.532
142 HA MET 20 HA MET 20 0.683 3.672 -2.690
143 HB2 MET 20 HB2 MET 20 -1.082 5.564 -2.907
144 HB3 MET 20 HB1 MET 20 0.137 6.588 -2.144
145 HG2 MET 20 HG2 MET 20 0.616 5.030 -4.671
146 HG3 MET 20 HG1 MET 20 0.055 6.699 -4.634
147 HE1 MET 20 HE1 MET 20 3.781 6.990 -5.832
148 HE2 MET 20 HE2 MET 20 2.100 7.374 -6.204
149 HE3 MET 20 HE3 MET 20 2.642 5.696 -6.208
150 H ARG 21 HN ARG 21 0.962 6.115 -0.118
151 HA ARG 21 HA ARG 21 3.702 6.502 -0.127
152 HB2 ARG 21 HB2 ARG 21 2.165 7.806 1.263
153 HB3 ARG 21 HB1 ARG 21 1.831 6.391 2.250
154 HG2 ARG 21 HG2 ARG 21 4.252 6.360 2.876
155 HG3 ARG 21 HG1 ARG 21 4.421 7.906 2.041
156 HD2 ARG 21 HD2 ARG 21 4.110 8.232 4.434
157 HD3 ARG 21 HD1 ARG 21 2.752 8.894 3.522
158 HE ARG 21 HE ARG 21 2.391 6.186 4.480
159 HH11 ARG 21 HH11 ARG 21 2.009 9.589 5.229
160 HH12 ARG 21 HH12 ARG 21 0.664 9.325 6.306
161 HH21 ARG 21 HH21 ARG 21 0.607 5.838 5.866
162 HH22 ARG 21 HH22 ARG 21 -0.148 7.201 6.645
163 H HIS 22 HN HIS 22 1.802 3.948 1.375
164 HA HIS 22 HA HIS 22 3.965 2.651 2.666
165 HB2 HIS 22 HB2 HIS 22 1.801 2.194 3.502
166 HB3 HIS 22 HB1 HIS 22 1.179 1.792 1.899
167 HD1 HIS 22 HD1 HIS 22 3.324 0.339 4.672
168 HD2 HIS 22 HD2 HIS 22 1.465 -0.782 1.123
169 HE1 HIS 22 HE1 HIS 22 3.495 -2.181 4.544
170 H LEU 23 HN LEU 23 2.630 2.481 -0.577
171 HA LEU 23 HA LEU 23 3.994 0.108 -1.361
172 HB2 LEU 23 HB2 LEU 23 2.116 1.799 -2.510
173 HB3 LEU 23 HB1 LEU 23 3.549 2.036 -3.507
174 HG LEU 23 HG LEU 23 2.056 0.313 -4.425
175 HD11 LEU 23 HD11 LEU 23 3.716 -1.453 -4.730
176 HD12 LEU 23 HD12 LEU 23 4.668 -0.781 -3.408
177 HD13 LEU 23 HD13 LEU 23 4.431 0.152 -4.884
178 HD21 LEU 23 HD21 LEU 23 2.635 -1.168 -1.868
179 HD22 LEU 23 HD22 LEU 23 1.794 -1.830 -3.269
180 HD23 LEU 23 HD23 LEU 23 1.077 -0.499 -2.361
181 H GLU 24 HN GLU 24 4.768 3.525 -1.334
182 HA GLU 24 HA GLU 24 7.234 3.395 -2.708
183 HB2 GLU 24 HB2 GLU 24 6.407 5.310 -0.520
184 HB3 GLU 24 HB1 GLU 24 7.724 5.547 -1.656
185 HG2 GLU 24 HG2 GLU 24 6.137 5.670 -3.493
186 HG3 GLU 24 HG1 GLU 24 4.803 5.390 -2.363
187 H THR 25 HN THR 25 6.407 3.187 0.739
188 HA THR 25 HA THR 25 9.115 3.130 1.601
189 HB THR 25 HB THR 25 7.212 3.930 3.024
190 HG1 THR 25 HG1 THR 25 9.196 2.135 3.821
191 HG21 THR 25 HG21 THR 25 5.873 2.324 4.235
192 HG22 THR 25 HG22 THR 25 6.699 0.985 3.438
193 HG23 THR 25 HG23 THR 25 5.664 2.065 2.504
194 H HIS 26 HN HIS 26 7.219 0.734 0.168
195 HA HIS 26 HA HIS 26 8.256 -1.581 1.417
196 HB2 HIS 26 HB2 HIS 26 7.003 -0.978 -1.215
197 HB3 HIS 26 HB1 HIS 26 7.967 -2.452 -1.115
198 HD1 HIS 26 HD1 HIS 26 7.161 -3.912 1.283
199 HD2 HIS 26 HD2 HIS 26 4.426 -1.545 -0.815
200 HE1 HIS 26 HE1 HIS 26 4.815 -4.799 1.824
201 H ASP 27 HN ASP 27 9.432 0.510 -1.155
202 HA ASP 27 HA ASP 27 11.742 -1.162 -1.659
203 HB2 ASP 27 HB2 ASP 27 10.832 1.473 -2.808
204 HB3 ASP 27 HB1 ASP 27 12.369 0.729 -3.232
205 H THR 28 HN THR 28 12.041 -0.685 0.848
206 HA THR 28 HA THR 28 14.166 1.344 0.944
207 HB THR 28 HB THR 28 13.611 1.676 3.375
208 HG1 THR 28 HG1 THR 28 11.091 0.530 2.720
209 HG21 THR 28 HG21 THR 28 11.755 3.208 2.994
210 HG22 THR 28 HG22 THR 28 11.420 2.437 1.444
211 HG23 THR 28 HG23 THR 28 12.929 3.319 1.683
212 H ASP 29 HN ASP 29 15.576 0.880 2.978
213 HA ASP 29 HA ASP 29 16.511 -1.831 2.638
214 HB2 ASP 29 HB2 ASP 29 17.958 0.275 2.774
215 HB3 ASP 29 HB1 ASP 29 17.643 0.248 4.507
216 H LYS 30 HN LYS 30 13.974 -1.639 3.892
217 HA LYS 30 HA LYS 30 14.480 -3.274 6.188
218 HB2 LYS 30 HB2 LYS 30 13.028 -1.905 7.721
219 HB3 LYS 30 HB1 LYS 30 14.598 -1.200 7.363
220 HG2 LYS 30 HG2 LYS 30 13.554 0.300 5.742
221 HG3 LYS 30 HG1 LYS 30 11.979 -0.412 6.100
222 HD2 LYS 30 HD2 LYS 30 12.227 0.300 8.450
223 HD3 LYS 30 HD1 LYS 30 13.754 1.076 8.030
224 HE2 LYS 30 HE2 LYS 30 12.029 2.744 8.067
225 HE3 LYS 30 HE1 LYS 30 12.535 2.486 6.397
226 HZ1 LYS 30 HZ1 LYS 30 10.128 2.633 6.603
227 HZ2 LYS 30 HZ2 LYS 30 10.116 1.309 7.666
228 HZ3 LYS 30 HZ3 LYS 30 10.591 1.094 6.054
Start of MODEL 19
1 H1 MET 1 HT1 MET 1 -13.554 3.858 1.909
2 H2 MET 1 HT2 MET 1 -14.248 2.518 2.676
3 H3 MET 1 HT3 MET 1 -14.880 4.069 2.945
4 HA MET 1 HA MET 1 -16.305 2.864 1.468
5 HB2 MET 1 HB2 MET 1 -16.019 5.303 1.146
6 HB3 MET 1 HB1 MET 1 -14.724 4.988 -0.000
7 HG2 MET 1 HG2 MET 1 -16.316 3.825 -1.455
8 HG3 MET 1 HG1 MET 1 -17.607 4.184 -0.311
9 HE1 MET 1 HE1 MET 1 -15.034 5.661 -2.880
10 HE2 MET 1 HE2 MET 1 -14.588 6.480 -1.381
11 HE3 MET 1 HE3 MET 1 -15.313 7.393 -2.706
12 H LYS 2 HN LYS 2 -13.113 3.351 -0.080
13 HA LYS 2 HA LYS 2 -13.515 0.775 -1.440
14 HB2 LYS 2 HB2 LYS 2 -12.377 3.295 -2.672
15 HB3 LYS 2 HB1 LYS 2 -12.357 1.713 -3.435
16 HG2 LYS 2 HG2 LYS 2 -14.803 1.686 -3.440
17 HG3 LYS 2 HG1 LYS 2 -14.819 3.281 -2.689
18 HD2 LYS 2 HD2 LYS 2 -15.175 3.472 -5.083
19 HD3 LYS 2 HD1 LYS 2 -13.624 4.187 -4.640
20 HE2 LYS 2 HE2 LYS 2 -12.475 2.162 -5.366
21 HE3 LYS 2 HE1 LYS 2 -14.020 1.420 -5.775
22 HZ1 LYS 2 HZ1 LYS 2 -12.921 2.303 -7.730
23 HZ2 LYS 2 HZ2 LYS 2 -12.871 3.850 -7.044
24 HZ3 LYS 2 HZ3 LYS 2 -14.365 3.146 -7.438
25 HA PRO 3 HA PRO 3 -9.476 0.348 0.441
26 HB2 PRO 3 HB2 PRO 3 -9.684 -2.427 0.493
27 HB3 PRO 3 HB1 PRO 3 -10.231 -1.328 1.768
28 HG2 PRO 3 HG2 PRO 3 -11.840 -2.971 0.106
29 HG3 PRO 3 HG1 PRO 3 -12.388 -1.755 1.271
30 HD2 PRO 3 HD2 PRO 3 -12.061 -1.545 -1.678
31 HD3 PRO 3 HD1 PRO 3 -13.216 -0.715 -0.611
32 H TYR 4 HN TYR 4 -7.598 0.193 -0.486
33 HA TYR 4 HA TYR 4 -7.330 -1.245 -3.038
34 HB2 TYR 4 HB2 TYR 4 -5.693 1.080 -1.975
35 HB3 TYR 4 HB1 TYR 4 -5.459 0.276 -3.538
36 HD1 TYR 4 HD2 TYR 4 -7.271 0.451 -5.269
37 HD2 TYR 4 HD1 TYR 4 -7.306 2.779 -1.712
38 HE1 TYR 4 HE2 TYR 4 -8.880 1.997 -6.307
39 HE2 TYR 4 HE1 TYR 4 -8.912 4.331 -2.734
40 HH TYR 4 HH TYR 4 -9.544 5.038 -5.092
41 H GLN 5 HN GLN 5 -5.914 -2.894 -3.150
42 HA GLN 5 HA GLN 5 -4.842 -3.746 -0.584
43 HB2 GLN 5 HB2 GLN 5 -4.535 -5.939 -1.732
44 HB3 GLN 5 HB1 GLN 5 -6.192 -5.355 -1.724
45 HG2 GLN 5 HG2 GLN 5 -6.018 -6.091 -3.872
46 HG3 GLN 5 HG1 GLN 5 -5.549 -4.404 -4.077
47 HE21 GLN 5 HE21 GLN 5 -3.540 -6.893 -2.640
48 HE22 GLN 5 HE22 GLN 5 -2.345 -6.912 -3.889
49 H CYS 6 HN CYS 6 -2.744 -4.425 -0.202
50 HA CYS 6 HA CYS 6 -0.704 -3.260 -1.945
51 HB2 CYS 6 HB2 CYS 6 -0.615 -2.785 0.452
52 HB3 CYS 6 HB1 CYS 6 -0.570 -4.503 0.805
53 H ASP 7 HN ASP 7 0.478 -4.477 -3.283
54 HA ASP 7 HA ASP 7 -0.267 -7.136 -3.812
55 HB2 ASP 7 HB2 ASP 7 0.615 -5.574 -5.519
56 HB3 ASP 7 HB1 ASP 7 2.210 -5.687 -4.767
57 H TYR 8 HN TYR 8 2.042 -5.896 -1.583
58 HA TYR 8 HA TYR 8 3.608 -8.384 -1.607
59 HB2 TYR 8 HB2 TYR 8 4.051 -5.840 -0.013
60 HB3 TYR 8 HB1 TYR 8 5.143 -7.224 -0.085
61 HD1 TYR 8 HD1 TYR 8 3.807 -4.342 -1.957
62 HD2 TYR 8 HD2 TYR 8 6.658 -7.500 -1.904
63 HE1 TYR 8 HE1 TYR 8 5.031 -3.258 -3.788
64 HE2 TYR 8 HE2 TYR 8 7.888 -6.427 -3.742
65 HH TYR 8 HH TYR 8 7.276 -3.212 -4.725
66 H CYS 9 HN CYS 9 1.234 -6.618 0.067
67 HA CYS 9 HA CYS 9 1.697 -7.967 2.603
68 HB2 CYS 9 HB2 CYS 9 0.291 -5.543 1.662
69 HB3 CYS 9 HB1 CYS 9 -0.255 -6.270 3.148
70 H GLY 10 HN GLY 10 -0.792 -7.641 0.106
71 HA2 GLY 10 HA2 GLY 10 -2.713 -8.896 -0.236
72 HA3 GLY 10 HA1 GLY 10 -2.262 -9.897 1.148
73 H ARG 11 HN ARG 11 -2.117 -6.627 1.860
74 HA ARG 11 HA ARG 11 -4.657 -6.757 3.308
75 HB2 ARG 11 HB2 ARG 11 -2.712 -6.459 4.739
76 HB3 ARG 11 HB1 ARG 11 -2.168 -5.101 3.754
77 HG2 ARG 11 HG2 ARG 11 -3.136 -4.296 5.808
78 HG3 ARG 11 HG1 ARG 11 -4.138 -3.828 4.434
79 HD2 ARG 11 HD2 ARG 11 -5.455 -4.613 6.379
80 HD3 ARG 11 HD1 ARG 11 -5.718 -5.586 4.922
81 HE ARG 11 HE ARG 11 -3.780 -6.956 6.183
82 HH11 ARG 11 HH11 ARG 11 -6.796 -5.622 7.397
83 HH12 ARG 11 HH12 ARG 11 -7.024 -6.904 8.553
84 HH21 ARG 11 HH21 ARG 11 -4.100 -8.627 7.674
85 HH22 ARG 11 HH22 ARG 11 -5.507 -8.615 8.695
86 H SER 12 HN SER 12 -6.228 -5.333 2.847
87 HA SER 12 HA SER 12 -5.739 -3.427 0.688
88 HB2 SER 12 HB2 SER 12 -8.360 -4.308 1.917
89 HB3 SER 12 HB1 SER 12 -8.154 -3.365 0.440
90 HG SER 12 HG SER 12 -7.992 -5.185 -0.574
91 H PHE 13 HN PHE 13 -5.394 -1.385 1.141
92 HA PHE 13 HA PHE 13 -6.121 -0.299 3.766
93 HB2 PHE 13 HB2 PHE 13 -4.473 1.045 1.626
94 HB3 PHE 13 HB1 PHE 13 -4.532 1.425 3.352
95 HD1 PHE 13 HD1 PHE 13 -3.544 -0.248 4.988
96 HD2 PHE 13 HD2 PHE 13 -2.949 -0.511 0.784
97 HE1 PHE 13 HE1 PHE 13 -1.608 -1.729 5.356
98 HE2 PHE 13 HE2 PHE 13 -1.019 -1.985 1.144
99 HZ PHE 13 HZ PHE 13 -0.327 -2.606 3.424
100 H SER 14 HN SER 14 -7.725 1.065 4.034
101 HA SER 14 HA SER 14 -9.516 1.441 1.823
102 HB2 SER 14 HB2 SER 14 -10.312 0.885 4.099
103 HB3 SER 14 HB1 SER 14 -9.734 2.450 4.668
104 HG SER 14 HG SER 14 -11.170 3.384 3.050
105 H ASP 15 HN ASP 15 -6.811 2.995 2.313
106 HA ASP 15 HA ASP 15 -7.948 5.552 1.402
107 HB2 ASP 15 HB2 ASP 15 -6.025 5.173 3.677
108 HB3 ASP 15 HB1 ASP 15 -5.969 6.643 2.712
109 HA PRO 16 HA PRO 16 -5.267 4.597 -1.959
110 HB2 PRO 16 HB2 PRO 16 -5.650 7.474 -2.565
111 HB3 PRO 16 HB1 PRO 16 -5.969 6.057 -3.570
112 HG2 PRO 16 HG2 PRO 16 -7.966 7.442 -2.453
113 HG3 PRO 16 HG1 PRO 16 -8.038 5.679 -2.620
114 HD2 PRO 16 HD2 PRO 16 -7.479 7.336 -0.201
115 HD3 PRO 16 HD1 PRO 16 -8.386 5.814 -0.347
116 H THR 17 HN THR 17 -4.827 7.814 -0.490
117 HA THR 17 HA THR 17 -2.233 8.264 -1.299
118 HB THR 17 HB THR 17 -3.292 9.215 1.358
119 HG1 THR 17 HG1 THR 17 -4.713 10.449 0.351
120 HG21 THR 17 HG21 THR 17 -1.558 10.509 -0.751
121 HG22 THR 17 HG22 THR 17 -0.996 9.841 0.781
122 HG23 THR 17 HG23 THR 17 -2.056 11.250 0.769
123 H SER 18 HN SER 18 -3.359 6.710 1.719
124 HA SER 18 HA SER 18 -0.628 6.392 2.562
125 HB2 SER 18 HB2 SER 18 -1.755 5.207 4.549
126 HB3 SER 18 HB1 SER 18 -2.065 6.930 4.349
127 HG SER 18 HG SER 18 -3.770 4.761 4.037
128 H LYS 19 HN LYS 19 -2.936 4.532 0.864
129 HA LYS 19 HA LYS 19 -1.538 2.058 1.227
130 HB2 LYS 19 HB2 LYS 19 -3.780 1.779 0.606
131 HB3 LYS 19 HB1 LYS 19 -3.712 3.031 -0.618
132 HG2 LYS 19 HG2 LYS 19 -2.060 0.580 -0.960
133 HG3 LYS 19 HG1 LYS 19 -3.796 0.486 -1.252
134 HD2 LYS 19 HD2 LYS 19 -3.658 2.175 -2.952
135 HD3 LYS 19 HD1 LYS 19 -1.967 2.500 -2.558
136 HE2 LYS 19 HE2 LYS 19 -1.389 0.214 -3.234
137 HE3 LYS 19 HE1 LYS 19 -3.071 -0.078 -3.665
138 HZ1 LYS 19 HZ1 LYS 19 -1.746 0.455 -5.608
139 HZ2 LYS 19 HZ2 LYS 19 -1.277 1.931 -4.926
140 HZ3 LYS 19 HZ3 LYS 19 -2.905 1.665 -5.339
141 H MET 20 HN MET 20 -1.143 4.920 -0.553
142 HA MET 20 HA MET 20 0.374 3.708 -2.718
143 HB2 MET 20 HB2 MET 20 -0.444 6.527 -2.059
144 HB3 MET 20 HB1 MET 20 0.770 6.203 -3.302
145 HG2 MET 20 HG2 MET 20 -2.103 5.316 -3.255
146 HG3 MET 20 HG1 MET 20 -1.356 6.477 -4.348
147 HE1 MET 20 HE1 MET 20 0.490 5.779 -6.181
148 HE2 MET 20 HE2 MET 20 1.032 4.116 -6.416
149 HE3 MET 20 HE3 MET 20 1.424 4.968 -4.923
150 H ARG 21 HN ARG 21 1.013 6.080 -0.143
151 HA ARG 21 HA ARG 21 3.802 6.138 -0.420
152 HB2 ARG 21 HB2 ARG 21 2.192 6.455 2.122
153 HB3 ARG 21 HB1 ARG 21 3.850 6.983 1.881
154 HG2 ARG 21 HG2 ARG 21 3.048 8.523 0.110
155 HG3 ARG 21 HG1 ARG 21 1.394 8.055 0.517
156 HD2 ARG 21 HD2 ARG 21 1.738 8.848 2.809
157 HD3 ARG 21 HD1 ARG 21 3.387 9.317 2.397
158 HE ARG 21 HE ARG 21 0.935 10.688 1.662
159 HH11 ARG 21 HH11 ARG 21 4.391 10.356 1.164
160 HH12 ARG 21 HH12 ARG 21 4.569 11.951 0.480
161 HH21 ARG 21 HH21 ARG 21 1.168 12.782 0.812
162 HH22 ARG 21 HH22 ARG 21 2.735 13.338 0.286
163 H HIS 22 HN HIS 22 1.667 3.890 1.142
164 HA HIS 22 HA HIS 22 3.601 2.464 2.635
165 HB2 HIS 22 HB2 HIS 22 1.197 2.378 3.123
166 HB3 HIS 22 HB1 HIS 22 0.903 1.599 1.570
167 HD1 HIS 22 HD1 HIS 22 1.990 0.896 5.058
168 HD2 HIS 22 HD2 HIS 22 1.705 -1.075 1.409
169 HE1 HIS 22 HE1 HIS 22 2.197 -1.566 5.568
170 H LEU 23 HN LEU 23 2.213 2.014 -0.610
171 HA LEU 23 HA LEU 23 3.641 -0.349 -1.219
172 HB2 LEU 23 HB2 LEU 23 1.984 1.587 -2.649
173 HB3 LEU 23 HB1 LEU 23 3.269 0.915 -3.646
174 HG LEU 23 HG LEU 23 1.181 -0.344 -3.893
175 HD11 LEU 23 HD11 LEU 23 3.290 -1.512 -4.183
176 HD12 LEU 23 HD12 LEU 23 2.076 -2.579 -3.474
177 HD13 LEU 23 HD13 LEU 23 3.338 -1.882 -2.458
178 HD21 LEU 23 HD21 LEU 23 0.208 0.038 -1.704
179 HD22 LEU 23 HD22 LEU 23 1.487 -0.914 -0.947
180 HD23 LEU 23 HD23 LEU 23 0.328 -1.694 -2.024
181 H GLU 24 HN GLU 24 4.340 3.068 -1.637
182 HA GLU 24 HA GLU 24 6.747 2.833 -3.060
183 HB2 GLU 24 HB2 GLU 24 5.888 4.971 -1.100
184 HB3 GLU 24 HB1 GLU 24 7.241 5.107 -2.214
185 HG2 GLU 24 HG2 GLU 24 4.343 4.806 -2.968
186 HG3 GLU 24 HG1 GLU 24 5.306 6.288 -3.056
187 H THR 25 HN THR 25 6.027 2.573 0.361
188 HA THR 25 HA THR 25 8.814 2.713 1.089
189 HB THR 25 HB THR 25 7.816 2.099 3.417
190 HG1 THR 25 HG1 THR 25 5.478 3.205 2.244
191 HG21 THR 25 HG21 THR 25 8.741 4.277 2.799
192 HG22 THR 25 HG22 THR 25 7.299 4.457 3.799
193 HG23 THR 25 HG23 THR 25 7.205 4.722 2.057
194 H HIS 26 HN HIS 26 6.920 0.262 -0.140
195 HA HIS 26 HA HIS 26 8.316 -1.860 1.238
196 HB2 HIS 26 HB2 HIS 26 6.442 -1.753 -1.094
197 HB3 HIS 26 HB1 HIS 26 7.455 -3.184 -0.879
198 HD1 HIS 26 HD1 HIS 26 6.729 -4.866 0.930
199 HD2 HIS 26 HD2 HIS 26 4.587 -1.292 1.029
200 HE1 HIS 26 HE1 HIS 26 4.729 -5.223 2.486
201 H ASP 27 HN ASP 27 8.780 0.180 -1.496
202 HA ASP 27 HA ASP 27 11.190 -1.227 -2.330
203 HB2 ASP 27 HB2 ASP 27 9.721 -0.162 -4.034
204 HB3 ASP 27 HB1 ASP 27 10.024 1.403 -3.288
205 H THR 28 HN THR 28 12.314 -1.039 -0.341
206 HA THR 28 HA THR 28 12.861 1.681 0.617
207 HB THR 28 HB THR 28 13.550 -0.880 2.052
208 HG1 THR 28 HG1 THR 28 11.087 0.521 1.886
209 HG21 THR 28 HG21 THR 28 14.587 1.189 2.878
210 HG22 THR 28 HG22 THR 28 13.429 0.543 4.039
211 HG23 THR 28 HG23 THR 28 12.993 1.923 3.031
212 H ASP 29 HN ASP 29 14.649 -1.393 0.408
213 HA ASP 29 HA ASP 29 17.112 0.195 0.086
214 HB2 ASP 29 HB2 ASP 29 16.939 -2.666 1.041
215 HB3 ASP 29 HB1 ASP 29 18.307 -1.569 1.171
216 H LYS 30 HN LYS 30 15.934 -3.052 -0.639
217 HA LYS 30 HA LYS 30 17.555 -3.192 -3.021
218 HB2 LYS 30 HB2 LYS 30 16.405 -5.476 -3.208
219 HB3 LYS 30 HB1 LYS 30 17.484 -5.229 -1.843
220 HG2 LYS 30 HG2 LYS 30 15.593 -4.844 -0.374
221 HG3 LYS 30 HG1 LYS 30 14.484 -4.977 -1.741
222 HD2 LYS 30 HD2 LYS 30 15.123 -7.294 -2.067
223 HD3 LYS 30 HD1 LYS 30 16.306 -7.178 -0.761
224 HE2 LYS 30 HE2 LYS 30 14.567 -6.850 0.860
225 HE3 LYS 30 HE1 LYS 30 13.347 -6.709 -0.403
226 HZ1 LYS 30 HZ1 LYS 30 13.312 -8.890 0.653
227 HZ2 LYS 30 HZ2 LYS 30 14.920 -9.158 0.197
228 HZ3 LYS 30 HZ3 LYS 30 13.717 -9.013 -0.991
Start of MODEL 20
1 H1 MET 1 HT1 MET 1 -16.574 1.805 -0.575
2 H2 MET 1 HT2 MET 1 -15.607 1.689 0.814
3 H3 MET 1 HT3 MET 1 -17.238 2.128 0.954
4 HA MET 1 HA MET 1 -16.930 -0.148 1.622
5 HB2 MET 1 HB2 MET 1 -18.590 -1.202 0.201
6 HB3 MET 1 HB1 MET 1 -19.038 0.472 0.490
7 HG2 MET 1 HG2 MET 1 -17.610 -0.438 -1.993
8 HG3 MET 1 HG1 MET 1 -19.366 -0.388 -1.853
9 HE1 MET 1 HE1 MET 1 -20.777 1.778 -1.613
10 HE2 MET 1 HE2 MET 1 -20.103 3.396 -1.425
11 HE3 MET 1 HE3 MET 1 -19.903 2.203 -0.141
12 H LYS 2 HN LYS 2 -15.111 0.790 -1.083
13 HA LYS 2 HA LYS 2 -14.050 -1.947 -1.314
14 HB2 LYS 2 HB2 LYS 2 -15.337 -1.355 -3.326
15 HB3 LYS 2 HB1 LYS 2 -14.352 0.084 -3.538
16 HG2 LYS 2 HG2 LYS 2 -13.672 -1.696 -5.048
17 HG3 LYS 2 HG1 LYS 2 -12.385 -1.295 -3.910
18 HD2 LYS 2 HD2 LYS 2 -12.965 -3.236 -2.554
19 HD3 LYS 2 HD1 LYS 2 -14.296 -3.615 -3.645
20 HE2 LYS 2 HE2 LYS 2 -11.396 -3.515 -4.452
21 HE3 LYS 2 HE1 LYS 2 -12.270 -4.989 -4.038
22 HZ1 LYS 2 HZ1 LYS 2 -12.125 -4.567 -6.445
23 HZ2 LYS 2 HZ2 LYS 2 -13.045 -3.153 -6.242
24 HZ3 LYS 2 HZ3 LYS 2 -13.722 -4.668 -5.886
25 HA PRO 3 HA PRO 3 -10.454 0.470 -0.131
26 HB2 PRO 3 HB2 PRO 3 -9.224 -1.903 0.835
27 HB3 PRO 3 HB1 PRO 3 -10.063 -0.668 1.783
28 HG2 PRO 3 HG2 PRO 3 -10.921 -3.295 1.417
29 HG3 PRO 3 HG1 PRO 3 -11.926 -1.949 1.981
30 HD2 PRO 3 HD2 PRO 3 -11.708 -3.146 -0.745
31 HD3 PRO 3 HD1 PRO 3 -13.132 -2.490 0.091
32 H TYR 4 HN TYR 4 -8.021 -0.062 -0.307
33 HA TYR 4 HA TYR 4 -7.497 -1.295 -2.931
34 HB2 TYR 4 HB2 TYR 4 -6.082 1.025 -1.591
35 HB3 TYR 4 HB1 TYR 4 -5.587 0.284 -3.116
36 HD1 TYR 4 HD1 TYR 4 -8.321 2.184 -1.480
37 HD2 TYR 4 HD2 TYR 4 -6.568 0.968 -5.158
38 HE1 TYR 4 HE1 TYR 4 -9.810 3.724 -2.693
39 HE2 TYR 4 HE2 TYR 4 -8.046 2.505 -6.382
40 HH TYR 4 HH TYR 4 -9.881 4.917 -4.841
41 H GLN 5 HN GLN 5 -6.639 -3.247 -2.526
42 HA GLN 5 HA GLN 5 -5.183 -3.766 -0.094
43 HB2 GLN 5 HB2 GLN 5 -5.631 -5.530 -2.515
44 HB3 GLN 5 HB1 GLN 5 -4.977 -6.062 -0.974
45 HG2 GLN 5 HG2 GLN 5 -7.120 -5.387 0.093
46 HG3 GLN 5 HG1 GLN 5 -7.752 -5.040 -1.515
47 HE21 GLN 5 HE21 GLN 5 -8.176 -6.745 -2.923
48 HE22 GLN 5 HE22 GLN 5 -8.289 -8.381 -2.380
49 H CYS 6 HN CYS 6 -2.975 -4.610 -0.019
50 HA CYS 6 HA CYS 6 -1.269 -3.312 -1.990
51 HB2 CYS 6 HB2 CYS 6 -0.760 -3.166 0.422
52 HB3 CYS 6 HB1 CYS 6 -0.600 -4.914 0.475
53 H ASP 7 HN ASP 7 -0.226 -4.388 -3.592
54 HA ASP 7 HA ASP 7 -1.446 -6.818 -4.359
55 HB2 ASP 7 HB2 ASP 7 -0.057 -6.671 -6.368
56 HB3 ASP 7 HB1 ASP 7 -0.806 -5.118 -5.986
57 H TYR 8 HN TYR 8 1.309 -6.306 -2.399
58 HA TYR 8 HA TYR 8 2.319 -9.004 -3.037
59 HB2 TYR 8 HB2 TYR 8 3.608 -7.104 -1.080
60 HB3 TYR 8 HB1 TYR 8 4.335 -8.474 -1.919
61 HD1 TYR 8 HD2 TYR 8 4.343 -8.167 -4.600
62 HD2 TYR 8 HD1 TYR 8 4.193 -5.024 -1.738
63 HE1 TYR 8 HE2 TYR 8 5.281 -6.613 -6.263
64 HE2 TYR 8 HE1 TYR 8 5.125 -3.467 -3.381
65 HH TYR 8 HH TYR 8 5.216 -4.087 -6.647
66 H CYS 9 HN CYS 9 0.704 -7.030 -0.746
67 HA CYS 9 HA CYS 9 1.349 -8.784 1.490
68 HB2 CYS 9 HB2 CYS 9 0.233 -6.046 1.166
69 HB3 CYS 9 HB1 CYS 9 0.205 -6.833 2.714
70 H GLY 10 HN GLY 10 -1.492 -7.610 -0.254
71 HA2 GLY 10 HA2 GLY 10 -3.583 -8.625 -0.367
72 HA3 GLY 10 HA1 GLY 10 -3.076 -9.758 0.890
73 H ARG 11 HN ARG 11 -2.211 -6.890 2.129
74 HA ARG 11 HA ARG 11 -4.501 -6.702 3.829
75 HB2 ARG 11 HB2 ARG 11 -2.298 -6.193 4.754
76 HB3 ARG 11 HB1 ARG 11 -2.077 -4.900 3.571
77 HG2 ARG 11 HG2 ARG 11 -4.116 -3.821 4.539
78 HG3 ARG 11 HG1 ARG 11 -4.045 -5.004 5.841
79 HD2 ARG 11 HD2 ARG 11 -1.872 -4.206 6.510
80 HD3 ARG 11 HD1 ARG 11 -1.815 -3.113 5.117
81 HE ARG 11 HE ARG 11 -4.120 -2.582 6.667
82 HH11 ARG 11 HH11 ARG 11 -0.646 -2.158 6.794
83 HH12 ARG 11 HH12 ARG 11 -0.729 -0.737 7.787
84 HH21 ARG 11 HH21 ARG 11 -4.236 -0.732 7.971
85 HH22 ARG 11 HH22 ARG 11 -2.777 0.070 8.473
86 H SER 12 HN SER 12 -6.160 -5.307 3.711
87 HA SER 12 HA SER 12 -6.359 -3.723 1.277
88 HB2 SER 12 HB2 SER 12 -8.754 -3.458 1.964
89 HB3 SER 12 HB1 SER 12 -8.256 -5.132 1.728
90 HG SER 12 HG SER 12 -7.881 -5.077 4.125
91 H PHE 13 HN PHE 13 -5.500 -1.750 1.395
92 HA PHE 13 HA PHE 13 -5.745 -0.186 3.841
93 HB2 PHE 13 HB2 PHE 13 -4.511 0.533 1.172
94 HB3 PHE 13 HB1 PHE 13 -4.405 1.492 2.650
95 HD1 PHE 13 HD2 PHE 13 -3.346 -1.655 1.033
96 HD2 PHE 13 HD1 PHE 13 -2.799 0.997 4.315
97 HE1 PHE 13 HE2 PHE 13 -1.303 -2.870 1.674
98 HE2 PHE 13 HE1 PHE 13 -0.758 -0.213 4.960
99 HZ PHE 13 HZ PHE 13 0.053 -2.113 3.562
100 H SER 14 HN SER 14 -7.327 1.166 4.191
101 HA SER 14 HA SER 14 -9.530 1.279 2.411
102 HB2 SER 14 HB2 SER 14 -9.049 3.057 4.807
103 HB3 SER 14 HB1 SER 14 -10.596 2.569 4.121
104 HG SER 14 HG SER 14 -8.760 1.056 5.633
105 H ASP 15 HN ASP 15 -6.632 2.883 2.269
106 HA ASP 15 HA ASP 15 -7.838 5.183 0.893
107 HB2 ASP 15 HB2 ASP 15 -5.712 5.337 3.036
108 HB3 ASP 15 HB1 ASP 15 -6.076 6.659 1.930
109 HA PRO 16 HA PRO 16 -4.792 3.876 -2.095
110 HB2 PRO 16 HB2 PRO 16 -5.235 5.918 -3.844
111 HB3 PRO 16 HB1 PRO 16 -6.277 4.495 -3.732
112 HG2 PRO 16 HG2 PRO 16 -6.662 7.224 -2.563
113 HG3 PRO 16 HG1 PRO 16 -7.847 6.161 -3.346
114 HD2 PRO 16 HD2 PRO 16 -7.676 6.409 -0.658
115 HD3 PRO 16 HD1 PRO 16 -8.150 4.885 -1.450
116 H THR 17 HN THR 17 -5.051 6.952 -0.543
117 HA THR 17 HA THR 17 -2.678 8.153 -1.458
118 HB THR 17 HB THR 17 -3.940 8.659 1.234
119 HG1 THR 17 HG1 THR 17 -5.687 9.292 0.228
120 HG21 THR 17 HG21 THR 17 -1.851 9.849 0.729
121 HG22 THR 17 HG22 THR 17 -3.216 10.961 0.818
122 HG23 THR 17 HG23 THR 17 -2.571 10.484 -0.754
123 H SER 18 HN SER 18 -3.416 6.448 1.611
124 HA SER 18 HA SER 18 -0.650 6.566 2.371
125 HB2 SER 18 HB2 SER 18 -1.592 5.089 4.324
126 HB3 SER 18 HB1 SER 18 -2.022 6.798 4.235
127 HG SER 18 HG SER 18 -3.987 6.040 4.315
128 H LYS 19 HN LYS 19 -2.819 4.192 1.011
129 HA LYS 19 HA LYS 19 -1.070 1.993 1.242
130 HB2 LYS 19 HB2 LYS 19 -3.243 1.394 0.682
131 HB3 LYS 19 HB1 LYS 19 -3.414 2.654 -0.521
132 HG2 LYS 19 HG2 LYS 19 -1.431 0.499 -1.027
133 HG3 LYS 19 HG1 LYS 19 -3.143 0.095 -1.155
134 HD2 LYS 19 HD2 LYS 19 -3.481 1.633 -2.900
135 HD3 LYS 19 HD1 LYS 19 -1.968 2.476 -2.561
136 HE2 LYS 19 HE2 LYS 19 -1.739 1.131 -4.561
137 HE3 LYS 19 HE1 LYS 19 -0.719 0.490 -3.274
138 HZ1 LYS 19 HZ1 LYS 19 -1.749 -1.353 -4.260
139 HZ2 LYS 19 HZ2 LYS 19 -3.271 -0.607 -4.303
140 HZ3 LYS 19 HZ3 LYS 19 -2.611 -1.102 -2.823
141 H MET 20 HN MET 20 -0.925 4.839 -0.585
142 HA MET 20 HA MET 20 0.680 3.737 -2.751
143 HB2 MET 20 HB2 MET 20 -1.024 5.726 -2.846
144 HB3 MET 20 HB1 MET 20 0.320 6.671 -2.204
145 HG2 MET 20 HG2 MET 20 0.470 5.047 -4.728
146 HG3 MET 20 HG1 MET 20 0.050 6.757 -4.675
147 HE1 MET 20 HE1 MET 20 1.996 7.176 -6.450
148 HE2 MET 20 HE2 MET 20 2.473 5.478 -6.423
149 HE3 MET 20 HE3 MET 20 3.684 6.737 -6.179
150 H ARG 21 HN ARG 21 1.142 6.188 -0.203
151 HA ARG 21 HA ARG 21 3.917 6.358 -0.377
152 HB2 ARG 21 HB2 ARG 21 2.577 7.902 0.990
153 HB3 ARG 21 HB1 ARG 21 2.207 6.596 2.110
154 HG2 ARG 21 HG2 ARG 21 4.619 6.386 2.606
155 HG3 ARG 21 HG1 ARG 21 4.923 7.772 1.559
156 HD2 ARG 21 HD2 ARG 21 3.600 9.193 2.983
157 HD3 ARG 21 HD1 ARG 21 3.134 7.816 3.981
158 HE ARG 21 HE ARG 21 5.988 8.367 3.780
159 HH11 ARG 21 HH11 ARG 21 3.017 8.698 5.605
160 HH12 ARG 21 HH12 ARG 21 3.824 9.091 7.101
161 HH21 ARG 21 HH21 ARG 21 7.059 8.856 5.752
162 HH22 ARG 21 HH22 ARG 21 6.125 9.172 7.178
163 H HIS 22 HN HIS 22 1.855 4.030 1.249
164 HA HIS 22 HA HIS 22 3.744 2.560 2.658
165 HB2 HIS 22 HB2 HIS 22 1.425 2.043 2.951
166 HB3 HIS 22 HB1 HIS 22 1.224 1.696 1.230
167 HD1 HIS 22 HD1 HIS 22 2.741 0.220 4.370
168 HD2 HIS 22 HD2 HIS 22 1.797 -0.856 0.463
169 HE1 HIS 22 HE1 HIS 22 3.095 -2.278 4.215
170 H LEU 23 HN LEU 23 2.735 2.251 -0.731
171 HA LEU 23 HA LEU 23 4.440 0.061 -1.301
172 HB2 LEU 23 HB2 LEU 23 2.537 1.709 -2.704
173 HB3 LEU 23 HB1 LEU 23 3.979 1.476 -3.690
174 HG LEU 23 HG LEU 23 2.251 -0.205 -4.175
175 HD11 LEU 23 HD11 LEU 23 3.671 -2.194 -3.960
176 HD12 LEU 23 HD12 LEU 23 4.717 -1.315 -2.844
177 HD13 LEU 23 HD13 LEU 23 4.576 -0.787 -4.519
178 HD21 LEU 23 HD21 LEU 23 1.142 -0.389 -2.048
179 HD22 LEU 23 HD22 LEU 23 2.614 -0.977 -1.278
180 HD23 LEU 23 HD23 LEU 23 1.788 -1.976 -2.476
181 H GLU 24 HN GLU 24 4.862 3.535 -1.356
182 HA GLU 24 HA GLU 24 7.377 3.565 -2.686
183 HB2 GLU 24 HB2 GLU 24 6.319 5.508 -0.625
184 HB3 GLU 24 HB1 GLU 24 7.659 5.798 -1.722
185 HG2 GLU 24 HG2 GLU 24 6.129 5.663 -3.627
186 HG3 GLU 24 HG1 GLU 24 4.783 5.379 -2.511
187 H THR 25 HN THR 25 6.572 3.752 0.778
188 HA THR 25 HA THR 25 9.334 3.607 1.569
189 HB THR 25 HB THR 25 7.620 4.954 2.798
190 HG1 THR 25 HG1 THR 25 9.115 2.964 4.189
191 HG21 THR 25 HG21 THR 25 6.663 2.248 3.733
192 HG22 THR 25 HG22 THR 25 5.759 3.383 2.731
193 HG23 THR 25 HG23 THR 25 6.153 3.800 4.399
194 H HIS 26 HN HIS 26 7.522 1.287 0.369
195 HA HIS 26 HA HIS 26 7.296 -0.719 2.336
196 HB2 HIS 26 HB2 HIS 26 6.240 -0.345 -0.091
197 HB3 HIS 26 HB1 HIS 26 7.509 -1.488 -0.521
198 HD1 HIS 26 HD1 HIS 26 7.038 -3.028 2.410
199 HD2 HIS 26 HD2 HIS 26 4.334 -2.279 -0.665
200 HE1 HIS 26 HE1 HIS 26 5.104 -4.693 2.671
201 H ASP 27 HN ASP 27 10.111 0.442 1.219
202 HA ASP 27 HA ASP 27 12.271 -0.274 1.182
203 HB2 ASP 27 HB2 ASP 27 11.271 -1.536 3.292
204 HB3 ASP 27 HB1 ASP 27 11.523 -2.952 2.281
205 H THR 28 HN THR 28 10.711 -0.584 -1.079
206 HA THR 28 HA THR 28 11.082 -3.198 -2.199
207 HB THR 28 HB THR 28 9.147 -2.189 -2.995
208 HG1 THR 28 HG1 THR 28 10.564 -1.293 -5.196
209 HG21 THR 28 HG21 THR 28 10.719 0.329 -3.547
210 HG22 THR 28 HG22 THR 28 9.584 0.079 -2.220
211 HG23 THR 28 HG23 THR 28 9.004 0.090 -3.884
212 H ASP 29 HN ASP 29 12.844 -3.929 -3.114
213 HA ASP 29 HA ASP 29 15.118 -2.151 -3.425
214 HB2 ASP 29 HB2 ASP 29 15.271 -4.349 -2.249
215 HB3 ASP 29 HB1 ASP 29 14.967 -5.153 -3.785
216 H LYS 30 HN LYS 30 12.694 -2.619 -5.395
217 HA LYS 30 HA LYS 30 14.110 -3.377 -7.804
218 HB2 LYS 30 HB2 LYS 30 11.272 -2.387 -7.487
219 HB3 LYS 30 HB1 LYS 30 11.953 -3.172 -8.906
220 HG2 LYS 30 HG2 LYS 30 12.304 -5.212 -7.582
221 HG3 LYS 30 HG1 LYS 30 11.551 -4.421 -6.197
222 HD2 LYS 30 HD2 LYS 30 9.482 -4.144 -7.515
223 HD3 LYS 30 HD1 LYS 30 10.243 -5.009 -8.852
224 HE2 LYS 30 HE2 LYS 30 9.693 -6.099 -6.095
225 HE3 LYS 30 HE1 LYS 30 8.817 -6.501 -7.571
226 HZ1 LYS 30 HZ1 LYS 30 10.466 -8.188 -6.965
227 HZ2 LYS 30 HZ2 LYS 30 11.703 -7.040 -7.104
228 HZ3 LYS 30 HZ3 LYS 30 10.803 -7.488 -8.473
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