NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
616805 |
5us3   |
30244 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 HT1 LYS 1 8.423 1.407 4.813
2 H2 LYS 1 HT2 LYS 1 8.803 1.326 6.460
3 H3 LYS 1 HT3 LYS 1 8.982 2.784 5.622
4 HA LYS 1 HA LYS 1 6.420 1.385 6.118
5 HB2 LYS 1 HB2 LYS 1 7.707 3.781 7.427
6 HB3 LYS 1 HB1 LYS 1 5.980 3.471 7.529
7 HG2 LYS 1 HG2 LYS 1 6.430 1.320 8.604
8 HG3 LYS 1 HG1 LYS 1 8.163 1.639 8.506
9 HD2 LYS 1 HD2 LYS 1 7.877 3.619 9.916
10 HD3 LYS 1 HD1 LYS 1 6.143 3.305 10.008
11 HE2 LYS 1 HE2 LYS 1 6.592 1.160 11.098
12 HE3 LYS 1 HE1 LYS 1 8.324 1.477 11.007
13 HZ1 LYS 1 HZ1 LYS 1 7.443 2.011 13.189
14 HZ2 LYS 1 HZ2 LYS 1 6.345 3.104 12.511
15 HZ3 LYS 1 HZ3 LYS 1 8.006 3.411 12.423
16 H TYR 2 HN TYR 2 8.026 4.336 4.942
17 HA TYR 2 HA TYR 2 5.640 5.338 3.659
18 HB2 TYR 2 HB2 TYR 2 8.518 6.258 3.703
19 HB3 TYR 2 HB1 TYR 2 7.277 7.081 2.767
20 HD1 TYR 2 HD1 TYR 2 5.536 8.373 3.876
21 HD2 TYR 2 HD2 TYR 2 8.542 6.375 6.128
22 HE1 TYR 2 HE1 TYR 2 4.917 9.689 5.858
23 HE2 TYR 2 HE2 TYR 2 7.931 7.685 8.117
24 HH TYR 2 HH TYR 2 5.086 9.520 8.308
25 HM1 MAA 3 HM1 MEA 3 4.522 6.213 0.365
26 HM2 MAA 3 HM2 MEA 3 5.289 6.734 1.860
27 HM3 MAA 3 HM3 MEA 3 4.163 5.379 1.872
28 HA MAA 3 HA MEA 3 5.551 4.935 -1.039
29 HB1 MAA 3 HB1 MEA 3 8.311 4.582 -0.019
30 HB2 MAA 3 HB2 MEA 3 7.715 5.451 -1.436
31 HB3 MAA 3 HB3 MEA 3 7.848 3.685 -1.466
32 H CYS 4 HN CYS 4 5.376 3.240 -2.316
33 HA CYS 4 HA CYS 4 4.459 0.805 -1.128
34 HB2 CYS 4 HB2 CYS 4 3.208 1.652 -2.880
35 HB3 CYS 4 HB1 CYS 4 4.633 1.916 -3.879
36 HA PRO 5 HA PRO 5 8.051 -1.611 -1.550
37 HB2 PRO 5 HB2 PRO 5 7.101 -3.782 -0.462
38 HB3 PRO 5 HB1 PRO 5 6.917 -2.246 0.425
39 HG2 PRO 5 HG2 PRO 5 4.905 -3.518 -1.403
40 HG3 PRO 5 HG1 PRO 5 4.716 -3.147 0.334
41 HD2 PRO 5 HD2 PRO 5 3.951 -1.436 -1.593
42 HD3 PRO 5 HD1 PRO 5 4.630 -0.883 -0.043
43 H GLU 6 HN GLU 6 5.174 -2.394 -3.437
44 HA GLU 6 HA GLU 6 6.885 -4.227 -5.016
45 HB2 GLU 6 HB2 GLU 6 4.071 -5.109 -4.929
46 HB3 GLU 6 HB1 GLU 6 5.546 -6.046 -5.011
47 HG2 GLU 6 HG2 GLU 6 5.829 -5.309 -2.528
48 HG3 GLU 6 HG1 GLU 6 4.093 -5.013 -2.632
49 H CYS 7 HN CYS 7 4.642 -1.703 -5.082
50 HA CYS 7 HA CYS 7 4.696 -1.850 -7.949
51 HB2 CYS 7 HB2 CYS 7 2.486 -1.656 -8.432
52 HB3 CYS 7 HB1 CYS 7 2.427 -2.691 -7.019
53 HA PRO 8 HA PRO 8 6.336 2.221 -7.961
54 HB2 PRO 8 HB2 PRO 8 4.593 2.341 -10.400
55 HB3 PRO 8 HB1 PRO 8 6.287 2.833 -10.199
56 HG2 PRO 8 HG2 PRO 8 5.711 0.539 -11.355
57 HG3 PRO 8 HG1 PRO 8 7.069 0.663 -10.217
58 HD2 PRO 8 HD2 PRO 8 4.407 -0.597 -9.819
59 HD3 PRO 8 HD1 PRO 8 5.970 -1.017 -9.099
60 H LYS 9 HN LYS 9 3.532 1.889 -6.551
61 HA LYS 9 HA LYS 9 2.489 4.530 -7.063
62 HB2 LYS 9 HB2 LYS 9 1.289 2.078 -6.630
63 HB3 LYS 9 HB1 LYS 9 1.178 2.843 -5.056
64 HG2 LYS 9 HG2 LYS 9 -0.756 3.648 -5.915
65 HG3 LYS 9 HG1 LYS 9 0.308 4.866 -6.621
66 HD2 LYS 9 HD2 LYS 9 0.460 3.533 -8.675
67 HD3 LYS 9 HD1 LYS 9 -0.618 2.329 -7.969
68 HE2 LYS 9 HE2 LYS 9 -1.974 3.672 -9.356
69 HE3 LYS 9 HE1 LYS 9 -2.311 4.191 -7.706
70 HZ1 LYS 9 HZ1 LYS 9 -2.052 6.078 -9.188
71 HZ2 LYS 9 HZ2 LYS 9 -0.498 5.568 -9.616
72 HZ3 LYS 9 HZ3 LYS 9 -0.817 6.066 -8.031
73 HA MMO 10 HA MER 10 4.444 5.324 -3.064
74 HCB1 MMO 10 HB1 MER 10 6.659 6.614 -3.569
75 HCB2 MMO 10 HB2 MER 10 6.274 6.327 -5.262
76 HCG1 MMO 10 HG1 MER 10 6.330 3.963 -4.942
77 HCG2 MMO 10 HG2 MER 10 6.480 4.165 -3.197
78 HCD1 MMO 10 HD1 MER 10 8.657 5.213 -3.486
79 HCD2 MMO 10 HD2 MER 10 8.507 5.074 -5.237
80 HH21 MMO 10 HH21 MER 10 9.924 1.017 -4.144
81 HH22 MMO 10 HH22 MER 10 11.563 1.564 -4.267
82 HH11 MMO 10 HH11 MER 10 12.028 3.790 -4.438
83 HC1 MMO 10 HM1 MER 10 2.797 6.506 -6.512
84 HC2 MMO 10 HM2 MER 10 4.290 5.804 -7.152
85 HC3 MMO 10 HM3 MER 10 4.349 7.228 -6.112
86 HE MMO 10 HE MER 10 8.227 2.520 -4.153
87 HH12 MMO 10 HH12 MER 10 10.744 4.953 -4.446
88 H PHE 11 HN PHE 11 3.573 6.732 -1.821
89 HA PHE 11 HA PHE 11 2.842 9.370 -2.838
90 HB2 PHE 11 HB2 PHE 11 1.261 8.470 -0.556
91 HB3 PHE 11 HB1 PHE 11 0.721 8.926 -2.170
92 HD1 PHE 11 HD1 PHE 11 1.262 7.098 -4.042
93 HD2 PHE 11 HD2 PHE 11 0.900 6.244 0.136
94 HE1 PHE 11 HE1 PHE 11 0.942 4.719 -4.572
95 HE2 PHE 11 HE2 PHE 11 0.499 3.889 -0.409
96 HZ PHE 11 HZ PHE 11 0.546 3.128 -2.794
97 H NLE 12 HN NLE 12 2.413 8.608 0.513
98 HA NLE 12 HA NLE 12 4.843 9.498 1.582
99 HB2 NLE 12 HB1 NLE 12 2.789 11.673 1.805
100 HB3 NLE 12 HB2 NLE 12 3.794 11.579 0.368
101 HG2 NLE 12 HG1 NLE 12 5.090 12.993 1.582
102 HG3 NLE 12 HG2 NLE 12 5.726 11.473 2.210
103 HD2 NLE 12 HD1 NLE 12 4.207 11.623 4.129
104 HD3 NLE 12 HD2 NLE 12 3.568 13.150 3.500
105 HE1 NLE 12 HE1 NLE 12 5.793 14.147 3.666
106 HE2 NLE 12 HE2 NLE 12 6.431 12.627 4.292
107 HE3 NLE 12 HE3 NLE 12 5.249 13.540 5.230
108 H ARG 13 HN ARG 13 1.726 8.338 1.747
109 HA ARG 13 HA ARG 13 1.622 8.593 4.680
110 HB2 ARG 13 HB2 ARG 13 -0.526 8.123 2.623
111 HB3 ARG 13 HB1 ARG 13 -0.779 7.707 4.312
112 HG2 ARG 13 HG2 ARG 13 0.022 10.198 4.683
113 HG3 ARG 13 HG1 ARG 13 -0.557 10.375 3.025
114 HD2 ARG 13 HD2 ARG 13 -2.725 9.452 3.697
115 HD3 ARG 13 HD1 ARG 13 -2.139 9.295 5.353
116 HE ARG 13 HE ARG 13 -1.844 11.962 4.484
117 HH11 ARG 13 HH11 ARG 13 -4.366 9.719 5.456
118 HH12 ARG 13 HH12 ARG 13 -5.424 10.973 6.013
119 HH21 ARG 13 HH21 ARG 13 -4.790 13.159 5.877
120 HH22 ARG 13 HH22 ARG 13 -3.246 13.585 5.218
121 H SER 14 HN SER 14 2.372 6.942 5.727
122 HA SER 14 HA SER 14 2.884 4.460 4.379
123 HB2 SER 14 HB2 SER 14 3.899 3.792 6.589
124 HB3 SER 14 HB1 SER 14 4.586 5.252 5.877
125 HG SER 14 HG SER 14 3.517 4.972 8.271
126 HG3 B3D 15 HG2 B3D 15 -0.385 4.886 9.145
127 HG2 B3D 15 HG1 B3D 15 -1.417 3.460 9.163
128 HB B3D 15 HB B3D 15 -0.605 2.936 6.751
129 H B3D 15 HN B3D 15 0.717 5.550 6.971
130 HA1 B3D 15 HA1 B3D 15 -1.704 5.744 6.866
131 HA2 B3D 15 HA2 B3D 15 -2.640 4.479 7.648
132 H HIS 16 HN HIS 16 -1.984 6.094 4.830
133 HA HIS 16 HA HIS 16 -3.978 4.825 3.321
134 HB2 HIS 16 HB2 HIS 16 -2.816 7.193 3.105
135 HB3 HIS 16 HB1 HIS 16 -1.813 6.341 1.937
136 HD1 HIS 16 HD1 HIS 16 -5.105 7.913 2.352
137 HD2 HIS 16 HD2 HIS 16 -3.287 5.297 -0.316
138 HE1 HIS 16 HE1 HIS 16 -6.584 7.892 0.319
139 HE2 HIS 16 HE2 HIS 16 -5.510 6.235 -1.247
140 H LEU 17 HN LEU 17 -0.449 4.361 3.329
141 HA LEU 17 HA LEU 17 -0.531 2.536 1.145
142 HB2 LEU 17 HB2 LEU 17 1.532 3.743 1.449
143 HB3 LEU 17 HB1 LEU 17 1.674 3.175 3.097
144 HG LEU 17 HG LEU 17 1.801 0.808 2.061
145 HD11 LEU 17 HD11 LEU 17 2.813 2.276 -0.361
146 HD12 LEU 17 HD12 LEU 17 1.152 1.681 -0.225
147 HD13 LEU 17 HD13 LEU 17 2.501 0.536 -0.154
148 HD21 LEU 17 HD21 LEU 17 3.625 1.936 3.201
149 HD22 LEU 17 HD22 LEU 17 4.083 2.720 1.686
150 HD23 LEU 17 HD23 LEU 17 4.189 0.964 1.840
151 H SER 18 HN SER 18 -0.496 2.211 4.669
152 HA SER 18 HA SER 18 -0.019 -0.531 4.849
153 HB2 SER 18 HB2 SER 18 -1.834 1.139 6.615
154 HB3 SER 18 HB1 SER 18 -1.235 -0.470 7.007
155 HG SER 18 HG SER 18 0.333 0.638 7.881
156 H B3K 19 HN B3K 19 -3.203 1.115 4.795
157 HB B3K 19 HB B3K 19 -4.268 -1.393 3.663
158 HG2 B3K 19 HG1 B3K 19 -6.522 -0.461 4.561
159 HG3 B3K 19 HG2 B3K 19 -5.629 0.867 5.286
160 HD2 B3K 19 HD1 B3K 19 -4.413 -0.733 6.696
161 HD3 B3K 19 HD2 B3K 19 -5.347 -2.049 5.985
162 HE2 B3K 19 HE1 B3K 19 -7.413 -1.041 6.827
163 HE3 B3K 19 HE2 B3K 19 -6.477 0.271 7.544
164 HF1 B3K 19 HF1 B3K 19 -5.304 -1.338 8.963
165 HF2 B3K 19 HF2 B3K 19 -6.237 -2.651 8.247
166 HNZ1 B3K 19 HZ1 B3K 19 -8.254 -1.651 9.123
167 HNZ2 B3K 19 HZ2 B3K 19 -7.361 -0.388 9.808
168 HA1 B3K 19 HA1 B3K 19 -5.986 0.392 2.609
169 HA2 B3K 19 HA2 B3K 19 -4.634 1.491 2.831
170 HZ3 B3K 19 HZ3 B3K 19 -7.157 -1.970 10.372
171 H HIS 20 HN HIS 20 -2.911 1.426 1.500
172 HA HIS 20 HA HIS 20 -3.295 0.611 -1.108
173 HB2 HIS 20 HB2 HIS 20 -1.857 2.433 -0.461
174 HB3 HIS 20 HB1 HIS 20 -0.755 1.267 0.281
175 HD1 HIS 20 HD1 HIS 20 -1.947 2.424 -3.087
176 HD2 HIS 20 HD2 HIS 20 0.777 -0.226 -1.396
177 HE1 HIS 20 HE1 HIS 20 -0.625 1.436 -4.993
178 H ILE 21 HN ILE 21 -1.376 -0.909 1.421
179 HA ILE 21 HA ILE 21 -0.745 -3.049 -0.392
180 HB ILE 21 HB ILE 21 1.057 -3.650 0.989
181 HG12 ILE 21 HG12 ILE 21 1.470 -1.882 3.002
182 HG13 ILE 21 HG11 ILE 21 -0.281 -2.043 3.067
183 HG21 ILE 21 HG21 ILE 21 0.910 -0.748 0.595
184 HG22 ILE 21 HG22 ILE 21 1.538 -1.983 -0.504
185 HG23 ILE 21 HG23 ILE 21 2.387 -1.622 0.999
186 HD11 ILE 21 HD11 ILE 21 1.707 -4.293 3.275
187 HD12 ILE 21 HD12 ILE 21 -0.048 -4.456 3.341
188 HD13 ILE 21 HD13 ILE 21 0.803 -3.571 4.607
189 H B3K 22 HN B3K 22 -2.858 -2.383 2.141
190 HB B3K 22 HB B3K 22 -3.436 -5.254 2.311
191 HG2 B3K 22 HG1 B3K 22 -4.789 -3.561 4.332
192 HG3 B3K 22 HG2 B3K 22 -3.056 -3.265 4.367
193 HD2 B3K 22 HD1 B3K 22 -2.658 -5.658 4.689
194 HD3 B3K 22 HD2 B3K 22 -4.400 -5.942 4.674
195 HE2 B3K 22 HE1 B3K 22 -4.655 -4.516 6.643
196 HE3 B3K 22 HE2 B3K 22 -2.915 -4.221 6.657
197 HF1 B3K 22 HF1 B3K 22 -2.514 -6.611 6.998
198 HF2 B3K 22 HF2 B3K 22 -4.253 -6.902 6.994
199 HNZ1 B3K 22 HZ1 B3K 22 -2.789 -5.225 8.960
200 HNZ2 B3K 22 HZ2 B3K 22 -3.385 -6.783 9.242
201 HA1 B3K 22 HA1 B3K 22 -5.380 -2.880 2.207
202 HA2 B3K 22 HA2 B3K 22 -5.868 -4.541 2.500
203 HZ3 B3K 22 HZ3 B3K 22 -4.457 -5.507 8.955
204 H THR 23 HN THR 23 -3.718 -2.899 0.076
205 HA THR 23 HA THR 23 -5.513 -3.975 -1.991
206 HB THR 23 HB THR 23 -3.335 -1.965 -2.611
207 HG1 THR 23 HG1 THR 23 -4.950 -1.337 -0.849
208 HG21 THR 23 HG21 THR 23 -6.046 -2.476 -3.852
209 HG22 THR 23 HG22 THR 23 -4.516 -3.103 -4.463
210 HG23 THR 23 HG23 THR 23 -4.808 -1.363 -4.437
211 H HIS 24 HN HIS 24 -2.037 -3.712 -1.235
212 HA HIS 24 HA HIS 24 -1.195 -5.483 -3.231
213 HB2 HIS 24 HB2 HIS 24 -0.035 -4.598 -0.646
214 HB3 HIS 24 HB1 HIS 24 0.732 -5.945 -1.479
215 HD1 HIS 24 HD1 HIS 24 2.398 -5.323 -3.298
216 HD2 HIS 24 HD2 HIS 24 0.020 -2.122 -2.128
217 HE1 HIS 24 HE1 HIS 24 3.177 -3.278 -4.584
218 HN B3Q 25 HN B3Q 25 -2.505 -5.809 -0.241
219 HB B3Q 25 HB B3Q 25 -2.856 -8.716 -0.518
220 HG B3Q 25 HG1 B3Q 25 -2.936 -8.720 2.044
221 HGA B3Q 25 HG2 B3Q 25 -2.267 -7.100 1.999
222 HA B3Q 25 HA1 B3Q 25 -4.512 -6.944 1.196
223 HAA B3Q 25 HA2 B3Q 25 -4.505 -6.606 -0.540
224 H8 B3Q 25 HD1 B3Q 25 -0.862 -9.466 0.796
225 H9 B3Q 25 HD2 B3Q 25 -0.648 -8.970 2.472
226 H11 B3Q 25 HF21 B3Q 25 0.143 -6.759 2.838
227 H12 B3Q 25 HF22 B3Q 25 1.242 -6.068 1.695
228 H ASN 26 HN ASN 26 -6.785 -6.981 -0.147
229 HA ASN 26 HA ASN 26 -7.456 -9.853 -0.404
230 HB2 ASN 26 HB2 ASN 26 -9.023 -7.627 0.906
231 HB3 ASN 26 HB1 ASN 26 -9.738 -9.179 0.482
232 HD21 ASN 26 HD21 ASN 26 -9.124 -11.024 1.608
233 HD22 ASN 26 HD22 ASN 26 -8.303 -10.942 3.126
234 H LYS 27 HN LYS 27 -8.502 -10.472 -2.180
235 HA LYS 27 HA LYS 27 -9.762 -8.434 -3.889
236 HB2 LYS 27 HB2 LYS 27 -7.831 -10.599 -4.712
237 HB3 LYS 27 HB1 LYS 27 -8.920 -9.833 -5.859
238 HG2 LYS 27 HG2 LYS 27 -7.916 -7.660 -5.366
239 HG3 LYS 27 HG1 LYS 27 -6.823 -8.429 -4.213
240 HD2 LYS 27 HD2 LYS 27 -5.868 -9.777 -6.019
241 HD3 LYS 27 HD1 LYS 27 -6.965 -9.015 -7.171
242 HE2 LYS 27 HE2 LYS 27 -4.904 -7.891 -7.407
243 HE3 LYS 27 HE1 LYS 27 -5.939 -6.806 -6.482
244 HZ1 LYS 27 HZ1 LYS 27 -3.716 -6.914 -5.549
245 HZ2 LYS 27 HZ2 LYS 27 -3.850 -8.588 -5.346
246 HZ3 LYS 27 HZ3 LYS 27 -4.844 -7.548 -4.457
247 H LYS 28 HN LYS 28 -11.647 -9.004 -4.858
248 HA LYS 28 HA LYS 28 -12.619 -11.754 -4.458
249 HB2 LYS 28 HB2 LYS 28 -13.558 -9.791 -2.945
250 HB3 LYS 28 HB1 LYS 28 -14.538 -9.462 -4.365
251 HG2 LYS 28 HG2 LYS 28 -15.424 -11.740 -4.284
252 HG3 LYS 28 HG1 LYS 28 -14.441 -12.068 -2.856
253 HD2 LYS 28 HD2 LYS 28 -15.624 -10.303 -1.639
254 HD3 LYS 28 HD1 LYS 28 -16.606 -9.976 -3.068
255 HE2 LYS 28 HE2 LYS 28 -17.499 -12.253 -2.971
256 HE3 LYS 28 HE1 LYS 28 -16.517 -12.577 -1.543
257 HZ1 LYS 28 HZ1 LYS 28 -18.789 -12.029 -0.944
258 HZ2 LYS 28 HZ2 LYS 28 -18.669 -10.539 -1.735
259 HZ3 LYS 28 HZ3 LYS 28 -17.726 -10.847 -0.365
260 HN1 NH2 29 HN1 NH2 29 -12.910 -12.663 -6.358
261 HN2 NH2 29 HN2 NH2 29 -13.472 -11.891 -7.798
Start of MODEL 2
1 H1 LYS 1 HT1 LYS 1 10.992 1.844 5.424
2 H2 LYS 1 HT2 LYS 1 9.769 0.858 4.798
3 H3 LYS 1 HT3 LYS 1 10.182 0.756 6.435
4 HA LYS 1 HA LYS 1 8.120 1.961 6.137
5 HB2 LYS 1 HB2 LYS 1 10.517 3.519 7.102
6 HB3 LYS 1 HB1 LYS 1 8.874 4.122 7.273
7 HG2 LYS 1 HG2 LYS 1 8.294 2.154 8.609
8 HG3 LYS 1 HG1 LYS 1 9.948 1.562 8.445
9 HD2 LYS 1 HD2 LYS 1 10.777 3.556 9.592
10 HD3 LYS 1 HD1 LYS 1 9.126 4.160 9.745
11 HE2 LYS 1 HE2 LYS 1 8.542 2.204 11.097
12 HE3 LYS 1 HE1 LYS 1 10.195 1.609 10.947
13 HZ1 LYS 1 HZ1 LYS 1 9.386 4.154 12.247
14 HZ2 LYS 1 HZ2 LYS 1 10.971 3.583 12.105
15 HZ3 LYS 1 HZ3 LYS 1 9.851 2.739 13.051
16 H TYR 2 HN TYR 2 6.982 3.734 5.317
17 HA TYR 2 HA TYR 2 6.277 5.235 3.783
18 HB2 TYR 2 HB2 TYR 2 9.220 5.893 3.620
19 HB3 TYR 2 HB1 TYR 2 7.987 6.788 2.740
20 HD1 TYR 2 HD1 TYR 2 9.414 6.080 6.037
21 HD2 TYR 2 HD2 TYR 2 6.445 8.259 3.908
22 HE1 TYR 2 HE1 TYR 2 9.050 7.498 8.011
23 HE2 TYR 2 HE2 TYR 2 6.073 9.685 5.877
24 HH TYR 2 HH TYR 2 6.389 9.583 8.311
25 HM1 MAA 3 HM1 MEA 3 5.793 6.525 2.053
26 HM2 MAA 3 HM2 MEA 3 4.634 5.208 2.242
27 HM3 MAA 3 HM3 MEA 3 4.841 5.983 0.676
28 HA MAA 3 HA MEA 3 5.632 4.650 -0.762
29 HB1 MAA 3 HB1 MEA 3 7.809 5.261 -1.265
30 HB2 MAA 3 HB2 MEA 3 7.730 3.541 -1.677
31 HB3 MAA 3 HB3 MEA 3 8.507 4.057 -0.179
32 H CYS 4 HN CYS 4 5.420 2.953 -2.051
33 HA CYS 4 HA CYS 4 4.457 0.569 -0.848
34 HB2 CYS 4 HB2 CYS 4 3.290 1.474 -2.654
35 HB3 CYS 4 HB1 CYS 4 4.762 1.604 -3.607
36 HA PRO 5 HA PRO 5 7.907 -2.048 -1.146
37 HB2 PRO 5 HB2 PRO 5 6.772 -4.217 -0.227
38 HB3 PRO 5 HB1 PRO 5 6.641 -2.715 0.726
39 HG2 PRO 5 HG2 PRO 5 4.645 -3.767 -1.251
40 HG3 PRO 5 HG1 PRO 5 4.399 -3.462 0.491
41 HD2 PRO 5 HD2 PRO 5 3.829 -1.615 -1.364
42 HD3 PRO 5 HD1 PRO 5 4.500 -1.182 0.227
43 H GLU 6 HN GLU 6 5.105 -2.616 -3.206
44 HA GLU 6 HA GLU 6 6.825 -4.419 -4.800
45 HB2 GLU 6 HB2 GLU 6 3.946 -5.088 -4.932
46 HB3 GLU 6 HB1 GLU 6 5.351 -6.118 -5.072
47 HG2 GLU 6 HG2 GLU 6 5.603 -5.627 -2.516
48 HG3 GLU 6 HG1 GLU 6 3.890 -5.231 -2.642
49 H CYS 7 HN CYS 7 4.634 -1.797 -4.821
50 HA CYS 7 HA CYS 7 5.071 -1.622 -7.678
51 HB2 CYS 7 HB2 CYS 7 2.944 -1.236 -8.428
52 HB3 CYS 7 HB1 CYS 7 2.732 -2.556 -7.292
53 HA PRO 8 HA PRO 8 6.622 2.406 -6.497
54 HB2 PRO 8 HB2 PRO 8 6.421 2.778 -9.452
55 HB3 PRO 8 HB1 PRO 8 7.801 3.046 -8.369
56 HG2 PRO 8 HG2 PRO 8 7.738 0.933 -9.937
57 HG3 PRO 8 HG1 PRO 8 8.340 0.810 -8.270
58 HD2 PRO 8 HD2 PRO 8 5.706 -0.054 -9.379
59 HD3 PRO 8 HD1 PRO 8 6.733 -0.838 -8.165
60 H LYS 9 HN LYS 9 3.784 2.146 -6.239
61 HA LYS 9 HA LYS 9 2.479 4.241 -7.555
62 HB2 LYS 9 HB2 LYS 9 1.687 2.094 -6.067
63 HB3 LYS 9 HB1 LYS 9 1.242 3.474 -5.090
64 HG2 LYS 9 HG2 LYS 9 0.456 3.175 -7.980
65 HG3 LYS 9 HG1 LYS 9 -0.532 2.598 -6.646
66 HD2 LYS 9 HD2 LYS 9 -1.024 4.754 -5.911
67 HD3 LYS 9 HD1 LYS 9 0.361 5.459 -6.750
68 HE2 LYS 9 HE2 LYS 9 -0.728 5.004 -8.899
69 HE3 LYS 9 HE1 LYS 9 -2.108 4.312 -8.049
70 HZ1 LYS 9 HZ1 LYS 9 -1.180 7.126 -7.837
71 HZ2 LYS 9 HZ2 LYS 9 -2.503 6.463 -7.019
72 HZ3 LYS 9 HZ3 LYS 9 -2.532 6.594 -8.705
73 HA MMO 10 HA MER 10 4.351 5.673 -2.833
74 HCB1 MMO 10 HB1 MER 10 5.652 7.103 -5.140
75 HCB2 MMO 10 HB2 MER 10 6.178 5.504 -4.643
76 HCG1 MMO 10 HG1 MER 10 6.355 6.681 -2.282
77 HCG2 MMO 10 HG2 MER 10 6.549 8.114 -3.293
78 HCD1 MMO 10 HD1 MER 10 8.153 5.600 -3.710
79 HCD2 MMO 10 HD2 MER 10 8.676 6.893 -2.630
80 HH21 MMO 10 HH21 MER 10 9.712 8.590 -6.592
81 HH22 MMO 10 HH22 MER 10 11.296 7.909 -6.432
82 HH11 MMO 10 HH11 MER 10 11.747 6.410 -4.773
83 HC1 MMO 10 HM1 MER 10 3.943 3.558 -3.184
84 HC2 MMO 10 HM2 MER 10 5.235 3.498 -4.389
85 HC3 MMO 10 HM3 MER 10 3.608 2.944 -4.804
86 HE MMO 10 HE MER 10 8.074 7.992 -5.145
87 HH12 MMO 10 HH12 MER 10 10.508 5.941 -3.658
88 H PHE 11 HN PHE 11 3.464 7.248 -1.737
89 HA PHE 11 HA PHE 11 1.983 9.320 -3.192
90 HB2 PHE 11 HB2 PHE 11 0.710 8.352 -0.702
91 HB3 PHE 11 HB1 PHE 11 -0.013 8.670 -2.278
92 HD1 PHE 11 HD1 PHE 11 0.792 6.095 0.026
93 HD2 PHE 11 HD2 PHE 11 0.708 6.935 -4.151
94 HE1 PHE 11 HE1 PHE 11 0.725 3.716 -0.469
95 HE2 PHE 11 HE2 PHE 11 0.730 4.552 -4.636
96 HZ PHE 11 HZ PHE 11 0.701 2.933 -2.859
97 H NLE 12 HN NLE 12 2.101 8.706 0.294
98 HA NLE 12 HA NLE 12 4.137 10.497 0.999
99 HB2 NLE 12 HB1 NLE 12 1.454 11.761 1.499
100 HB3 NLE 12 HB2 NLE 12 2.290 12.038 -0.021
101 HG2 NLE 12 HG1 NLE 12 3.611 13.576 0.910
102 HG3 NLE 12 HG2 NLE 12 4.063 12.477 2.215
103 HD2 NLE 12 HD1 NLE 12 2.002 13.058 3.415
104 HD3 NLE 12 HD2 NLE 12 1.572 14.181 2.116
105 HE1 NLE 12 HE1 NLE 12 4.039 14.341 3.843
106 HE2 NLE 12 HE2 NLE 12 2.604 15.356 3.993
107 HE3 NLE 12 HE3 NLE 12 3.611 15.458 2.548
108 H ARG 13 HN ARG 13 1.720 8.266 1.689
109 HA ARG 13 HA ARG 13 2.281 8.515 4.570
110 HB2 ARG 13 HB2 ARG 13 -0.328 8.508 3.217
111 HB3 ARG 13 HB1 ARG 13 -0.209 7.398 4.577
112 HG2 ARG 13 HG2 ARG 13 0.415 9.198 6.050
113 HG3 ARG 13 HG1 ARG 13 0.469 10.330 4.698
114 HD2 ARG 13 HD2 ARG 13 -2.025 8.820 5.420
115 HD3 ARG 13 HD1 ARG 13 -1.612 10.356 6.178
116 HE ARG 13 HE ARG 13 -1.769 10.208 3.254
117 HH11 ARG 13 HH11 ARG 13 -3.099 11.433 6.264
118 HH12 ARG 13 HH12 ARG 13 -4.108 12.600 5.477
119 HH21 ARG 13 HH21 ARG 13 -4.107 12.774 3.203
120 HH22 ARG 13 HH22 ARG 13 -3.098 11.742 2.245
121 H SER 14 HN SER 14 2.699 6.683 5.641
122 HA SER 14 HA SER 14 3.139 4.321 4.012
123 HB2 SER 14 HB2 SER 14 4.892 5.250 5.594
124 HB3 SER 14 HB1 SER 14 3.874 4.701 6.923
125 HG SER 14 HG SER 14 4.648 2.781 6.631
126 HG3 B3D 15 HG2 B3D 15 0.332 4.602 9.100
127 HG2 B3D 15 HG1 B3D 15 -0.720 3.193 9.163
128 HB B3D 15 HB B3D 15 -0.132 2.731 6.678
129 H B3D 15 HN B3D 15 1.296 5.292 6.893
130 HA1 B3D 15 HA1 B3D 15 -1.156 5.556 6.960
131 HA2 B3D 15 HA2 B3D 15 -2.046 4.292 7.797
132 H HIS 16 HN HIS 16 -1.649 5.975 4.980
133 HA HIS 16 HA HIS 16 -3.766 4.763 3.613
134 HB2 HIS 16 HB2 HIS 16 -1.639 6.715 2.838
135 HB3 HIS 16 HB1 HIS 16 -2.683 6.040 1.593
136 HD1 HIS 16 HD1 HIS 16 -3.275 7.589 5.033
137 HD2 HIS 16 HD2 HIS 16 -4.779 7.669 1.160
138 HE1 HIS 16 HE1 HIS 16 -5.187 9.223 5.087
139 HE2 HIS 16 HE2 HIS 16 -6.137 9.187 2.754
140 H LEU 17 HN LEU 17 -0.254 4.285 3.279
141 HA LEU 17 HA LEU 17 -0.482 2.471 1.128
142 HB2 LEU 17 HB2 LEU 17 1.632 3.597 1.418
143 HB3 LEU 17 HB1 LEU 17 1.783 2.980 3.046
144 HG LEU 17 HG LEU 17 1.798 0.641 1.953
145 HD11 LEU 17 HD11 LEU 17 2.794 2.150 -0.455
146 HD12 LEU 17 HD12 LEU 17 1.131 1.560 -0.293
147 HD13 LEU 17 HD13 LEU 17 2.471 0.406 -0.281
148 HD21 LEU 17 HD21 LEU 17 3.692 1.681 3.073
149 HD22 LEU 17 HD22 LEU 17 4.148 2.460 1.554
150 HD23 LEU 17 HD23 LEU 17 4.178 0.699 1.689
151 H SER 18 HN SER 18 -0.354 2.077 4.650
152 HA SER 18 HA SER 18 0.033 -0.680 4.774
153 HB2 SER 18 HB2 SER 18 -1.625 1.078 6.604
154 HB3 SER 18 HB1 SER 18 -1.185 -0.591 6.961
155 HG SER 18 HG SER 18 0.763 0.030 7.458
156 H B3K 19 HN B3K 19 -3.095 1.070 4.799
157 HB B3K 19 HB B3K 19 -4.263 -1.403 3.687
158 HG2 B3K 19 HG1 B3K 19 -6.473 -0.363 4.615
159 HG3 B3K 19 HG2 B3K 19 -5.496 0.895 5.356
160 HD2 B3K 19 HD1 B3K 19 -4.357 -0.796 6.714
161 HD3 B3K 19 HD2 B3K 19 -5.357 -2.049 5.977
162 HE2 B3K 19 HE1 B3K 19 -7.368 -0.961 6.862
163 HE3 B3K 19 HE2 B3K 19 -6.363 0.280 7.611
164 HF1 B3K 19 HF1 B3K 19 -6.059 -2.650 8.217
165 HF2 B3K 19 HF2 B3K 19 -7.140 -1.594 9.124
166 HNZ1 B3K 19 HZ1 B3K 19 -4.205 -1.232 8.848
167 HNZ2 B3K 19 HZ2 B3K 19 -5.003 -1.814 10.221
168 HA1 B3K 19 HA1 B3K 19 -5.942 0.424 2.650
169 HA2 B3K 19 HA2 B3K 19 -4.562 1.490 2.854
170 HZ3 B3K 19 HZ3 B3K 19 -5.244 -0.217 9.717
171 H HIS 20 HN HIS 20 -2.869 1.388 1.500
172 HA HIS 20 HA HIS 20 -3.285 0.595 -1.106
173 HB2 HIS 20 HB2 HIS 20 -1.806 2.367 -0.474
174 HB3 HIS 20 HB1 HIS 20 -0.731 1.180 0.276
175 HD1 HIS 20 HD1 HIS 20 -1.896 2.335 -3.109
176 HD2 HIS 20 HD2 HIS 20 0.765 -0.353 -1.386
177 HE1 HIS 20 HE1 HIS 20 -0.547 1.337 -4.993
178 H ILE 21 HN ILE 21 -1.411 -1.012 1.407
179 HA ILE 21 HA ILE 21 -0.821 -3.141 -0.438
180 HB ILE 21 HB ILE 21 0.962 -3.802 0.950
181 HG12 ILE 21 HG12 ILE 21 1.409 -2.052 2.971
182 HG13 ILE 21 HG11 ILE 21 -0.346 -2.171 3.027
183 HG21 ILE 21 HG21 ILE 21 0.862 -0.907 0.537
184 HG22 ILE 21 HG22 ILE 21 1.511 -2.162 -0.525
185 HG23 ILE 21 HG23 ILE 21 2.324 -1.779 0.994
186 HD11 ILE 21 HD11 ILE 21 1.584 -4.471 3.233
187 HD12 ILE 21 HD12 ILE 21 -0.176 -4.587 3.299
188 HD13 ILE 21 HD13 ILE 21 0.700 -3.729 4.567
189 H B3K 22 HN B3K 22 -2.890 -2.454 2.132
190 HB B3K 22 HB B3K 22 -3.574 -5.307 2.247
191 HG2 B3K 22 HG1 B3K 22 -4.849 -3.599 4.309
192 HG3 B3K 22 HG2 B3K 22 -3.107 -3.357 4.329
193 HD2 B3K 22 HD1 B3K 22 -2.794 -5.781 4.593
194 HD3 B3K 22 HD2 B3K 22 -4.546 -5.985 4.635
195 HE2 B3K 22 HE1 B3K 22 -4.676 -4.590 6.629
196 HE3 B3K 22 HE2 B3K 22 -2.930 -4.341 6.580
197 HF1 B3K 22 HF1 B3K 22 -2.586 -6.750 6.875
198 HF2 B3K 22 HF2 B3K 22 -4.332 -6.985 6.948
199 HNZ1 B3K 22 HZ1 B3K 22 -2.728 -5.373 8.857
200 HNZ2 B3K 22 HZ2 B3K 22 -3.354 -6.915 9.154
201 HA1 B3K 22 HA1 B3K 22 -5.427 -2.856 2.198
202 HA2 B3K 22 HA2 B3K 22 -5.977 -4.502 2.464
203 HZ3 B3K 22 HZ3 B3K 22 -4.402 -5.607 8.928
204 H THR 23 HN THR 23 -3.779 -2.904 0.050
205 HA THR 23 HA THR 23 -5.630 -3.893 -2.016
206 HB THR 23 HB THR 23 -3.402 -1.947 -2.650
207 HG1 THR 23 HG1 THR 23 -4.633 -0.284 -1.962
208 HG21 THR 23 HG21 THR 23 -4.670 -3.022 -4.484
209 HG22 THR 23 HG22 THR 23 -4.898 -1.273 -4.434
210 HG23 THR 23 HG23 THR 23 -6.161 -2.345 -3.828
211 H HIS 24 HN HIS 24 -2.138 -3.760 -1.268
212 HA HIS 24 HA HIS 24 -1.377 -5.517 -3.309
213 HB2 HIS 24 HB2 HIS 24 -0.149 -4.717 -0.732
214 HB3 HIS 24 HB1 HIS 24 0.556 -6.080 -1.596
215 HD1 HIS 24 HD1 HIS 24 2.155 -5.498 -3.527
216 HD2 HIS 24 HD2 HIS 24 0.032 -2.218 -2.104
217 HE1 HIS 24 HE1 HIS 24 3.004 -3.431 -4.751
218 HN B3Q 25 HN B3Q 25 -2.701 -5.861 -0.332
219 HB B3Q 25 HB B3Q 25 -3.202 -8.728 -0.730
220 HG B3Q 25 HG1 B3Q 25 -3.222 -8.918 1.805
221 HGA B3Q 25 HG2 B3Q 25 -2.528 -7.306 1.885
222 HA B3Q 25 HA1 B3Q 25 -4.743 -7.011 1.126
223 HAA B3Q 25 HA2 B3Q 25 -4.713 -6.508 -0.571
224 H8 B3Q 25 HD1 B3Q 25 -0.967 -9.019 0.167
225 H9 B3Q 25 HD2 B3Q 25 -1.150 -9.718 1.776
226 H11 B3Q 25 HF21 B3Q 25 0.104 -7.053 -0.069
227 H12 B3Q 25 HF22 B3Q 25 1.111 -6.401 1.175
228 H ASN 26 HN ASN 26 -6.968 -6.789 -0.458
229 HA ASN 26 HA ASN 26 -7.951 -9.556 -0.428
230 HB2 ASN 26 HB2 ASN 26 -9.368 -6.888 -0.421
231 HB3 ASN 26 HB1 ASN 26 -10.217 -8.420 -0.601
232 HD21 ASN 26 HD21 ASN 26 -10.330 -9.834 1.143
233 HD22 ASN 26 HD22 ASN 26 -9.989 -9.326 2.759
234 H LYS 27 HN LYS 27 -9.093 -10.470 -2.148
235 HA LYS 27 HA LYS 27 -8.412 -9.358 -4.773
236 HB2 LYS 27 HB2 LYS 27 -7.972 -11.828 -3.890
237 HB3 LYS 27 HB1 LYS 27 -9.619 -12.069 -4.454
238 HG2 LYS 27 HG2 LYS 27 -8.970 -11.323 -6.687
239 HG3 LYS 27 HG1 LYS 27 -7.319 -11.065 -6.122
240 HD2 LYS 27 HD2 LYS 27 -7.137 -13.449 -5.583
241 HD3 LYS 27 HD1 LYS 27 -8.786 -13.702 -6.160
242 HE2 LYS 27 HE2 LYS 27 -8.116 -12.960 -8.393
243 HE3 LYS 27 HE1 LYS 27 -6.471 -12.702 -7.815
244 HZ1 LYS 27 HZ1 LYS 27 -6.311 -15.065 -7.327
245 HZ2 LYS 27 HZ2 LYS 27 -6.681 -14.815 -8.959
246 HZ3 LYS 27 HZ3 LYS 27 -7.890 -15.310 -7.886
247 H LYS 28 HN LYS 28 -9.915 -8.883 -6.313
248 HA LYS 28 HA LYS 28 -12.697 -8.716 -5.405
249 HB2 LYS 28 HB2 LYS 28 -11.185 -7.266 -7.580
250 HB3 LYS 28 HB1 LYS 28 -12.931 -7.167 -7.418
251 HG2 LYS 28 HG2 LYS 28 -12.282 -5.283 -6.287
252 HG3 LYS 28 HG1 LYS 28 -12.360 -6.445 -4.963
253 HD2 LYS 28 HD2 LYS 28 -9.941 -6.800 -5.133
254 HD3 LYS 28 HD1 LYS 28 -9.862 -5.647 -6.466
255 HE2 LYS 28 HE2 LYS 28 -10.909 -4.925 -3.738
256 HE3 LYS 28 HE1 LYS 28 -9.209 -4.775 -4.177
257 HZ1 LYS 28 HZ1 LYS 28 -11.472 -3.410 -5.534
258 HZ2 LYS 28 HZ2 LYS 28 -9.841 -3.264 -5.956
259 HZ3 LYS 28 HZ3 LYS 28 -10.381 -2.685 -4.462
260 HN1 NH2 29 HN1 NH2 29 -10.847 -9.624 -8.306
261 HN2 NH2 29 HN2 NH2 29 -12.030 -10.717 -8.930
Start of MODEL 3
1 H1 LYS 1 HT1 LYS 1 10.237 0.866 6.019
2 H2 LYS 1 HT2 LYS 1 10.274 2.305 5.131
3 H3 LYS 1 HT3 LYS 1 9.420 0.969 4.540
4 HA LYS 1 HA LYS 1 7.863 1.092 6.352
5 HB2 LYS 1 HB2 LYS 1 9.606 3.411 7.190
6 HB3 LYS 1 HB1 LYS 1 7.966 3.199 7.784
7 HG2 LYS 1 HG2 LYS 1 8.580 1.051 8.755
8 HG3 LYS 1 HG1 LYS 1 10.221 1.231 8.131
9 HD2 LYS 1 HD2 LYS 1 10.509 3.249 9.495
10 HD3 LYS 1 HD1 LYS 1 8.872 3.054 10.124
11 HE2 LYS 1 HE2 LYS 1 9.498 0.899 11.091
12 HE3 LYS 1 HE1 LYS 1 11.132 1.084 10.456
13 HZ1 LYS 1 HZ1 LYS 1 11.406 3.049 11.836
14 HZ2 LYS 1 HZ2 LYS 1 11.016 1.705 12.785
15 HZ3 LYS 1 HZ3 LYS 1 9.838 2.870 12.446
16 H TYR 2 HN TYR 2 9.283 3.838 4.607
17 HA TYR 2 HA TYR 2 6.647 4.921 3.993
18 HB2 TYR 2 HB2 TYR 2 9.461 5.899 3.517
19 HB3 TYR 2 HB1 TYR 2 8.067 6.701 2.807
20 HD1 TYR 2 HD1 TYR 2 9.893 6.016 5.901
21 HD2 TYR 2 HD2 TYR 2 6.505 7.947 4.201
22 HE1 TYR 2 HE1 TYR 2 9.597 7.308 7.973
23 HE2 TYR 2 HE2 TYR 2 6.199 9.245 6.267
24 HH TYR 2 HH TYR 2 6.782 9.083 8.645
25 HM1 MAA 3 HM1 MEA 3 4.833 4.941 2.582
26 HM2 MAA 3 HM2 MEA 3 4.830 5.826 1.061
27 HM3 MAA 3 HM3 MEA 3 5.888 6.336 2.373
28 HA MAA 3 HA MEA 3 5.564 4.645 -0.558
29 HB1 MAA 3 HB1 MEA 3 7.528 3.755 -1.783
30 HB2 MAA 3 HB2 MEA 3 8.478 3.962 -0.310
31 HB3 MAA 3 HB3 MEA 3 7.748 5.367 -1.089
32 H CYS 4 HN CYS 4 5.369 2.985 -1.944
33 HA CYS 4 HA CYS 4 4.472 0.554 -0.808
34 HB2 CYS 4 HB2 CYS 4 3.322 1.533 -2.612
35 HB3 CYS 4 HB1 CYS 4 4.800 1.601 -3.565
36 HA PRO 5 HA PRO 5 8.021 -1.964 -1.195
37 HB2 PRO 5 HB2 PRO 5 6.977 -4.143 -0.204
38 HB3 PRO 5 HB1 PRO 5 6.805 -2.631 0.727
39 HG2 PRO 5 HG2 PRO 5 4.815 -3.780 -1.213
40 HG3 PRO 5 HG1 PRO 5 4.586 -3.475 0.537
41 HD2 PRO 5 HD2 PRO 5 3.922 -1.661 -1.321
42 HD3 PRO 5 HD1 PRO 5 4.595 -1.195 0.259
43 H GLU 6 HN GLU 6 5.167 -2.588 -3.127
44 HA GLU 6 HA GLU 6 6.753 -4.502 -4.724
45 HB2 GLU 6 HB2 GLU 6 5.225 -5.845 -3.520
46 HB3 GLU 6 HB1 GLU 6 3.879 -4.791 -3.891
47 HG2 GLU 6 HG2 GLU 6 4.030 -5.461 -6.250
48 HG3 GLU 6 HG1 GLU 6 5.357 -6.547 -5.842
49 H CYS 7 HN CYS 7 4.676 -1.754 -4.786
50 HA CYS 7 HA CYS 7 5.129 -1.607 -7.640
51 HB2 CYS 7 HB2 CYS 7 3.012 -1.245 -8.409
52 HB3 CYS 7 HB1 CYS 7 2.761 -2.509 -7.220
53 HA PRO 8 HA PRO 8 6.637 2.457 -6.541
54 HB2 PRO 8 HB2 PRO 8 6.365 2.807 -9.492
55 HB3 PRO 8 HB1 PRO 8 7.769 3.087 -8.444
56 HG2 PRO 8 HG2 PRO 8 7.674 0.966 -10.007
57 HG3 PRO 8 HG1 PRO 8 8.331 0.857 -8.360
58 HD2 PRO 8 HD2 PRO 8 5.672 -0.042 -9.380
59 HD3 PRO 8 HD1 PRO 8 6.741 -0.804 -8.188
60 H LYS 9 HN LYS 9 3.814 2.149 -6.211
61 HA LYS 9 HA LYS 9 2.453 4.227 -7.506
62 HB2 LYS 9 HB2 LYS 9 1.605 2.029 -6.356
63 HB3 LYS 9 HB1 LYS 9 1.412 3.125 -5.003
64 HG2 LYS 9 HG2 LYS 9 -0.661 3.335 -5.952
65 HG3 LYS 9 HG1 LYS 9 0.185 4.589 -6.859
66 HD2 LYS 9 HD2 LYS 9 0.583 3.005 -8.680
67 HD3 LYS 9 HD1 LYS 9 -0.248 1.742 -7.769
68 HE2 LYS 9 HE2 LYS 9 -2.310 3.044 -7.830
69 HE3 LYS 9 HE1 LYS 9 -1.482 4.331 -8.706
70 HZ1 LYS 9 HZ1 LYS 9 -1.883 1.556 -9.687
71 HZ2 LYS 9 HZ2 LYS 9 -1.099 2.796 -10.529
72 HZ3 LYS 9 HZ3 LYS 9 -2.753 2.916 -10.195
73 HA MMO 10 HA MER 10 4.284 5.650 -2.778
74 HCB1 MMO 10 HB1 MER 10 5.700 7.000 -5.071
75 HCB2 MMO 10 HB2 MER 10 6.216 5.451 -4.425
76 HCG1 MMO 10 HG1 MER 10 6.265 6.747 -2.155
77 HCG2 MMO 10 HG2 MER 10 6.428 8.149 -3.217
78 HCD1 MMO 10 HD1 MER 10 8.348 7.126 -4.300
79 HCD2 MMO 10 HD2 MER 10 8.172 5.691 -3.293
80 HH21 MMO 10 HH21 MER 10 10.383 8.410 -0.576
81 HH22 MMO 10 HH22 MER 10 11.871 7.760 -1.179
82 HH11 MMO 10 HH11 MER 10 11.883 6.425 -3.028
83 HC1 MMO 10 HM1 MER 10 4.221 3.532 -3.198
84 HC2 MMO 10 HM2 MER 10 5.306 3.494 -4.592
85 HC3 MMO 10 HM3 MER 10 3.648 2.909 -4.745
86 HE MMO 10 HE MER 10 8.434 7.933 -1.627
87 HH12 MMO 10 HH12 MER 10 10.402 6.052 -3.845
88 H PHE 11 HN PHE 11 3.374 7.229 -1.732
89 HA PHE 11 HA PHE 11 1.950 9.301 -3.244
90 HB2 PHE 11 HB2 PHE 11 0.637 8.383 -0.758
91 HB3 PHE 11 HB1 PHE 11 -0.061 8.673 -2.351
92 HD1 PHE 11 HD1 PHE 11 0.733 6.137 0.010
93 HD2 PHE 11 HD2 PHE 11 0.653 6.903 -4.181
94 HE1 PHE 11 HE1 PHE 11 0.675 3.747 -0.444
95 HE2 PHE 11 HE2 PHE 11 0.683 4.511 -4.626
96 HZ PHE 11 HZ PHE 11 0.662 2.926 -2.810
97 H NLE 12 HN NLE 12 2.052 8.725 0.255
98 HA NLE 12 HA NLE 12 4.082 10.519 0.955
99 HB2 NLE 12 HB1 NLE 12 1.491 11.864 1.565
100 HB3 NLE 12 HB2 NLE 12 2.082 11.981 -0.084
101 HG2 NLE 12 HG1 NLE 12 3.026 13.864 0.770
102 HG3 NLE 12 HG2 NLE 12 4.312 12.722 1.155
103 HD2 NLE 12 HD1 NLE 12 3.407 12.468 3.425
104 HD3 NLE 12 HD2 NLE 12 2.131 13.634 3.037
105 HE1 NLE 12 HE1 NLE 12 5.096 14.183 2.991
106 HE2 NLE 12 HE2 NLE 12 3.969 14.701 4.245
107 HE3 NLE 12 HE3 NLE 12 3.824 15.342 2.608
108 H ARG 13 HN ARG 13 1.659 8.310 1.637
109 HA ARG 13 HA ARG 13 2.155 8.589 4.531
110 HB2 ARG 13 HB2 ARG 13 -0.444 8.312 3.097
111 HB3 ARG 13 HB1 ARG 13 -0.269 7.535 4.664
112 HG2 ARG 13 HG2 ARG 13 0.514 10.392 4.415
113 HG3 ARG 13 HG1 ARG 13 -1.204 9.992 4.419
114 HD2 ARG 13 HD2 ARG 13 -0.906 8.795 6.544
115 HD3 ARG 13 HD1 ARG 13 0.803 9.228 6.539
116 HE ARG 13 HE ARG 13 -0.339 11.631 6.390
117 HH11 ARG 13 HH11 ARG 13 -1.076 8.933 8.514
118 HH12 ARG 13 HH12 ARG 13 -1.639 9.949 9.799
119 HH21 ARG 13 HH21 ARG 13 -1.643 12.216 9.554
120 HH22 ARG 13 HH22 ARG 13 -1.085 12.941 8.084
121 H SER 14 HN SER 14 2.625 6.767 5.602
122 HA SER 14 HA SER 14 3.085 4.397 3.990
123 HB2 SER 14 HB2 SER 14 3.875 4.994 6.854
124 HB3 SER 14 HB1 SER 14 4.396 3.595 5.915
125 HG SER 14 HG SER 14 5.163 6.270 5.711
126 HG3 B3D 15 HG2 B3D 15 0.300 4.653 9.088
127 HG2 B3D 15 HG1 B3D 15 -0.731 3.229 9.163
128 HB B3D 15 HB B3D 15 -0.137 2.761 6.676
129 H B3D 15 HN B3D 15 1.244 5.349 6.882
130 HA1 B3D 15 HA1 B3D 15 -1.217 5.568 6.959
131 HA2 B3D 15 HA2 B3D 15 -2.083 4.279 7.786
132 H HIS 16 HN HIS 16 -1.660 5.965 4.958
133 HA HIS 16 HA HIS 16 -3.775 4.747 3.587
134 HB2 HIS 16 HB2 HIS 16 -1.582 6.572 2.620
135 HB3 HIS 16 HB1 HIS 16 -2.903 6.043 1.591
136 HD1 HIS 16 HD1 HIS 16 -4.978 7.409 1.659
137 HD2 HIS 16 HD2 HIS 16 -2.531 8.121 4.943
138 HE1 HIS 16 HE1 HIS 16 -6.046 9.323 2.893
139 HE2 HIS 16 HE2 HIS 16 -4.494 9.799 4.820
140 H LEU 17 HN LEU 17 -0.265 4.240 3.305
141 HA LEU 17 HA LEU 17 -0.500 2.427 1.142
142 HB2 LEU 17 HB2 LEU 17 1.623 3.557 1.421
143 HB3 LEU 17 HB1 LEU 17 1.788 2.920 3.043
144 HG LEU 17 HG LEU 17 1.759 0.591 1.907
145 HD11 LEU 17 HD11 LEU 17 2.781 2.138 -0.463
146 HD12 LEU 17 HD12 LEU 17 1.112 1.567 -0.321
147 HD13 LEU 17 HD13 LEU 17 2.438 0.394 -0.333
148 HD21 LEU 17 HD21 LEU 17 4.141 0.619 1.643
149 HD22 LEU 17 HD22 LEU 17 3.666 1.571 3.053
150 HD23 LEU 17 HD23 LEU 17 4.139 2.383 1.558
151 H SER 18 HN SER 18 -0.339 2.056 4.663
152 HA SER 18 HA SER 18 0.049 -0.696 4.814
153 HB2 SER 18 HB2 SER 18 -1.625 1.065 6.627
154 HB3 SER 18 HB1 SER 18 -1.154 -0.593 7.002
155 HG SER 18 HG SER 18 1.008 0.061 6.952
156 H B3K 19 HN B3K 19 -3.076 1.056 4.802
157 HB B3K 19 HB B3K 19 -4.238 -1.421 3.696
158 HG2 B3K 19 HG1 B3K 19 -6.448 -0.430 4.649
159 HG3 B3K 19 HG2 B3K 19 -5.497 0.856 5.375
160 HD2 B3K 19 HD1 B3K 19 -4.306 -0.801 6.735
161 HD3 B3K 19 HD2 B3K 19 -5.289 -2.080 6.017
162 HE2 B3K 19 HE1 B3K 19 -7.312 -1.026 6.915
163 HE3 B3K 19 HE2 B3K 19 -6.322 0.240 7.645
164 HF1 B3K 19 HF1 B3K 19 -5.176 -1.437 9.007
165 HF2 B3K 19 HF2 B3K 19 -6.160 -2.704 8.276
166 HNZ1 B3K 19 HZ1 B3K 19 -7.189 -0.449 9.910
167 HNZ2 B3K 19 HZ2 B3K 19 -7.027 -2.050 10.430
168 HA1 B3K 19 HA1 B3K 19 -5.934 0.418 2.695
169 HA2 B3K 19 HA2 B3K 19 -4.546 1.475 2.889
170 HZ3 B3K 19 HZ3 B3K 19 -8.132 -1.666 9.208
171 H HIS 20 HN HIS 20 -2.877 1.380 1.506
172 HA HIS 20 HA HIS 20 -3.330 0.601 -1.096
173 HB2 HIS 20 HB2 HIS 20 -1.838 2.368 -0.482
174 HB3 HIS 20 HB1 HIS 20 -0.760 1.178 0.257
175 HD1 HIS 20 HD1 HIS 20 -1.974 2.306 -3.128
176 HD2 HIS 20 HD2 HIS 20 0.753 -0.320 -1.408
177 HE1 HIS 20 HE1 HIS 20 -0.615 1.329 -5.017
178 H ILE 21 HN ILE 21 -1.429 -1.021 1.386
179 HA ILE 21 HA ILE 21 -0.854 -3.136 -0.478
180 HB ILE 21 HB ILE 21 0.933 -3.814 0.893
181 HG12 ILE 21 HG12 ILE 21 1.396 -2.090 2.931
182 HG13 ILE 21 HG11 ILE 21 -0.359 -2.198 2.995
183 HG21 ILE 21 HG21 ILE 21 2.289 -1.778 0.968
184 HG22 ILE 21 HG22 ILE 21 0.824 -0.922 0.490
185 HG23 ILE 21 HG23 ILE 21 1.499 -2.173 -0.559
186 HD11 ILE 21 HD11 ILE 21 0.679 -3.778 4.514
187 HD12 ILE 21 HD12 ILE 21 1.561 -4.509 3.173
188 HD13 ILE 21 HD13 ILE 21 -0.197 -4.622 3.237
189 H B3K 22 HN B3K 22 -2.860 -2.483 2.184
190 HB B3K 22 HB B3K 22 -3.553 -5.334 2.230
191 HG2 B3K 22 HG1 B3K 22 -4.749 -3.578 4.339
192 HG3 B3K 22 HG2 B3K 22 -2.991 -3.529 4.365
193 HD2 B3K 22 HD1 B3K 22 -2.930 -5.963 4.591
194 HD3 B3K 22 HD2 B3K 22 -4.694 -6.006 4.569
195 HE2 B3K 22 HE1 B3K 22 -4.754 -4.639 6.598
196 HE3 B3K 22 HE2 B3K 22 -2.990 -4.595 6.621
197 HF1 B3K 22 HF1 B3K 22 -2.933 -7.030 6.859
198 HF2 B3K 22 HF2 B3K 22 -4.695 -7.073 6.842
199 HNZ1 B3K 22 HZ1 B3K 22 -3.021 -5.706 8.879
200 HNZ2 B3K 22 HZ2 B3K 22 -3.833 -7.174 9.093
201 HA1 B3K 22 HA1 B3K 22 -5.400 -2.880 2.244
202 HA2 B3K 22 HA2 B3K 22 -5.955 -4.522 2.520
203 HZ3 B3K 22 HZ3 B3K 22 -4.712 -5.748 8.862
204 H THR 23 HN THR 23 -3.814 -2.913 0.061
205 HA THR 23 HA THR 23 -5.707 -3.891 -1.972
206 HB THR 23 HB THR 23 -3.499 -1.933 -2.643
207 HG1 THR 23 HG1 THR 23 -6.026 -0.914 -2.052
208 HG21 THR 23 HG21 THR 23 -5.055 -1.237 -4.374
209 HG22 THR 23 HG22 THR 23 -6.290 -2.330 -3.748
210 HG23 THR 23 HG23 THR 23 -4.813 -2.983 -4.457
211 H HIS 24 HN HIS 24 -2.193 -3.741 -1.322
212 HA HIS 24 HA HIS 24 -1.461 -5.456 -3.403
213 HB2 HIS 24 HB2 HIS 24 -0.200 -4.694 -0.833
214 HB3 HIS 24 HB1 HIS 24 0.490 -6.055 -1.710
215 HD1 HIS 24 HD1 HIS 24 1.982 -5.490 -3.749
216 HD2 HIS 24 HD2 HIS 24 0.066 -2.185 -2.106
217 HE1 HIS 24 HE1 HIS 24 2.852 -3.415 -4.939
218 HN B3Q 25 HN B3Q 25 -2.721 -5.865 -0.411
219 HB B3Q 25 HB B3Q 25 -3.214 -8.736 -0.811
220 HG B3Q 25 HG1 B3Q 25 -3.141 -8.975 1.687
221 HGA B3Q 25 HG2 B3Q 25 -2.555 -7.323 1.805
222 HA B3Q 25 HA1 B3Q 25 -4.701 -6.901 1.007
223 HAA B3Q 25 HA2 B3Q 25 -4.778 -6.603 -0.731
224 H8 B3Q 25 HD1 B3Q 25 -0.774 -8.509 0.063
225 H9 B3Q 25 HD2 B3Q 25 -1.098 -9.768 1.254
226 H11 B3Q 25 HF21 B3Q 25 0.183 -6.576 0.725
227 H12 B3Q 25 HF22 B3Q 25 1.003 -6.433 2.239
228 H ASN 26 HN ASN 26 -7.059 -6.884 0.156
229 HA ASN 26 HA ASN 26 -7.959 -9.558 -0.643
230 HB2 ASN 26 HB2 ASN 26 -8.686 -8.247 1.983
231 HB3 ASN 26 HB1 ASN 26 -9.645 -9.537 1.265
232 HD21 ASN 26 HD21 ASN 26 -6.639 -8.702 2.787
233 HD22 ASN 26 HD22 ASN 26 -6.120 -10.317 3.113
234 H LYS 27 HN LYS 27 -10.127 -9.628 -1.385
235 HA LYS 27 HA LYS 27 -11.117 -7.029 -2.306
236 HB2 LYS 27 HB2 LYS 27 -11.574 -9.850 -3.257
237 HB3 LYS 27 HB1 LYS 27 -12.588 -8.519 -3.794
238 HG2 LYS 27 HG2 LYS 27 -10.608 -7.380 -4.687
239 HG3 LYS 27 HG1 LYS 27 -9.608 -8.741 -4.173
240 HD2 LYS 27 HD2 LYS 27 -10.858 -10.232 -5.644
241 HD3 LYS 27 HD1 LYS 27 -11.898 -8.894 -6.134
242 HE2 LYS 27 HE2 LYS 27 -10.307 -9.139 -7.859
243 HE3 LYS 27 HE1 LYS 27 -9.800 -7.728 -6.934
244 HZ1 LYS 27 HZ1 LYS 27 -8.176 -9.110 -5.791
245 HZ2 LYS 27 HZ2 LYS 27 -7.928 -9.156 -7.463
246 HZ3 LYS 27 HZ3 LYS 27 -8.664 -10.463 -6.682
247 H LYS 28 HN LYS 28 -12.192 -9.956 -0.625
248 HA LYS 28 HA LYS 28 -14.573 -8.483 0.296
249 HB2 LYS 28 HB2 LYS 28 -14.278 -11.391 -0.443
250 HB3 LYS 28 HB1 LYS 28 -15.598 -10.820 0.568
251 HG2 LYS 28 HG2 LYS 28 -16.320 -9.323 -1.235
252 HG3 LYS 28 HG1 LYS 28 -15.006 -9.925 -2.248
253 HD2 LYS 28 HD2 LYS 28 -15.950 -12.176 -2.143
254 HD3 LYS 28 HD1 LYS 28 -17.254 -11.587 -1.110
255 HE2 LYS 28 HE2 LYS 28 -18.002 -10.103 -2.910
256 HE3 LYS 28 HE1 LYS 28 -16.701 -10.700 -3.940
257 HZ1 LYS 28 HZ1 LYS 28 -17.677 -12.908 -3.831
258 HZ2 LYS 28 HZ2 LYS 28 -18.796 -11.793 -4.435
259 HZ3 LYS 28 HZ3 LYS 28 -18.923 -12.336 -2.838
260 HN1 NH2 29 HN1 NH2 29 -14.431 -7.993 2.353
261 HN2 NH2 29 HN2 NH2 29 -13.658 -8.922 3.588
Start of MODEL 4
1 H1 LYS 1 HT1 LYS 1 9.687 1.023 4.399
2 H2 LYS 1 HT2 LYS 1 10.695 0.989 5.756
3 H3 LYS 1 HT3 LYS 1 10.641 2.368 4.779
4 HA LYS 1 HA LYS 1 8.395 1.309 6.392
5 HB2 LYS 1 HB2 LYS 1 10.277 3.628 6.830
6 HB3 LYS 1 HB1 LYS 1 8.735 3.488 7.661
7 HG2 LYS 1 HG2 LYS 1 9.451 1.395 8.673
8 HG3 LYS 1 HG1 LYS 1 10.987 1.493 7.810
9 HD2 LYS 1 HD2 LYS 1 11.503 3.586 8.979
10 HD3 LYS 1 HD1 LYS 1 9.971 3.472 9.850
11 HE2 LYS 1 HE2 LYS 1 10.701 1.370 10.860
12 HE3 LYS 1 HE1 LYS 1 12.225 1.471 9.979
13 HZ1 LYS 1 HZ1 LYS 1 12.463 2.241 12.255
14 HZ2 LYS 1 HZ2 LYS 1 11.271 3.417 12.012
15 HZ3 LYS 1 HZ3 LYS 1 12.735 3.511 11.169
16 H TYR 2 HN TYR 2 9.622 3.929 4.331
17 HA TYR 2 HA TYR 2 6.908 4.948 3.940
18 HB2 TYR 2 HB2 TYR 2 9.644 6.031 3.281
19 HB3 TYR 2 HB1 TYR 2 8.179 6.767 2.643
20 HD1 TYR 2 HD1 TYR 2 6.654 7.975 4.108
21 HD2 TYR 2 HD2 TYR 2 10.205 6.198 5.638
22 HE1 TYR 2 HE1 TYR 2 6.417 9.291 6.171
23 HE2 TYR 2 HE2 TYR 2 9.976 7.509 7.705
24 HH TYR 2 HH TYR 2 8.904 9.589 8.459
25 HM1 MAA 3 HM1 MEA 3 5.005 4.894 2.644
26 HM2 MAA 3 HM2 MEA 3 4.881 5.771 1.121
27 HM3 MAA 3 HM3 MEA 3 5.998 6.322 2.366
28 HA MAA 3 HA MEA 3 5.573 4.626 -0.544
29 HB1 MAA 3 HB1 MEA 3 8.493 3.924 -0.463
30 HB2 MAA 3 HB2 MEA 3 7.739 5.355 -1.168
31 HB3 MAA 3 HB3 MEA 3 7.455 3.757 -1.878
32 H CYS 4 HN CYS 4 5.373 2.950 -1.931
33 HA CYS 4 HA CYS 4 4.454 0.544 -0.783
34 HB2 CYS 4 HB2 CYS 4 3.324 1.486 -2.596
35 HB3 CYS 4 HB1 CYS 4 4.813 1.593 -3.529
36 HA PRO 5 HA PRO 5 7.912 -2.073 -1.055
37 HB2 PRO 5 HB2 PRO 5 6.766 -4.242 -0.154
38 HB3 PRO 5 HB1 PRO 5 6.625 -2.743 0.803
39 HG2 PRO 5 HG2 PRO 5 4.650 -3.788 -1.199
40 HG3 PRO 5 HG1 PRO 5 4.385 -3.489 0.542
41 HD2 PRO 5 HD2 PRO 5 3.835 -1.637 -1.315
42 HD3 PRO 5 HD1 PRO 5 4.486 -1.208 0.286
43 H GLU 6 HN GLU 6 5.119 -2.631 -3.136
44 HA GLU 6 HA GLU 6 6.843 -4.436 -4.723
45 HB2 GLU 6 HB2 GLU 6 3.971 -5.094 -4.908
46 HB3 GLU 6 HB1 GLU 6 5.375 -6.130 -4.995
47 HG2 GLU 6 HG2 GLU 6 5.558 -5.635 -2.441
48 HG3 GLU 6 HG1 GLU 6 3.858 -5.200 -2.611
49 H CYS 7 HN CYS 7 4.689 -1.787 -4.757
50 HA CYS 7 HA CYS 7 5.166 -1.593 -7.602
51 HB2 CYS 7 HB2 CYS 7 3.053 -1.213 -8.392
52 HB3 CYS 7 HB1 CYS 7 2.821 -2.540 -7.269
53 HA PRO 8 HA PRO 8 6.629 2.452 -6.343
54 HB2 PRO 8 HB2 PRO 8 6.517 2.861 -9.296
55 HB3 PRO 8 HB1 PRO 8 7.862 3.119 -8.169
56 HG2 PRO 8 HG2 PRO 8 7.855 1.033 -9.779
57 HG3 PRO 8 HG1 PRO 8 8.420 0.888 -8.100
58 HD2 PRO 8 HD2 PRO 8 5.819 0.019 -9.281
59 HD3 PRO 8 HD1 PRO 8 6.826 -0.776 -8.060
60 H LYS 9 HN LYS 9 3.818 2.148 -6.133
61 HA LYS 9 HA LYS 9 2.493 4.211 -7.477
62 HB2 LYS 9 HB2 LYS 9 1.605 2.025 -6.365
63 HB3 LYS 9 HB1 LYS 9 1.391 3.101 -5.000
64 HG2 LYS 9 HG2 LYS 9 -0.670 3.296 -5.997
65 HG3 LYS 9 HG1 LYS 9 0.183 4.601 -6.822
66 HD2 LYS 9 HD2 LYS 9 0.656 3.099 -8.700
67 HD3 LYS 9 HD1 LYS 9 -0.200 1.796 -7.872
68 HE2 LYS 9 HE2 LYS 9 -2.261 3.108 -7.933
69 HE3 LYS 9 HE1 LYS 9 -1.406 4.421 -8.744
70 HZ1 LYS 9 HZ1 LYS 9 -1.793 1.682 -9.828
71 HZ2 LYS 9 HZ2 LYS 9 -0.976 2.942 -10.606
72 HZ3 LYS 9 HZ3 LYS 9 -2.637 3.065 -10.315
73 HA MMO 10 HA MER 10 4.189 5.702 -2.713
74 HCB1 MMO 10 HB1 MER 10 5.563 7.122 -4.984
75 HCB2 MMO 10 HB2 MER 10 6.117 5.563 -4.397
76 HCG1 MMO 10 HG1 MER 10 6.164 6.770 -2.083
77 HCG2 MMO 10 HG2 MER 10 6.262 8.221 -3.085
78 HCD1 MMO 10 HD1 MER 10 8.209 7.339 -4.223
79 HCD2 MMO 10 HD2 MER 10 8.086 5.832 -3.317
80 HH21 MMO 10 HH21 MER 10 10.234 8.430 -0.431
81 HH22 MMO 10 HH22 MER 10 11.738 7.895 -1.102
82 HH11 MMO 10 HH11 MER 10 11.781 6.710 -3.050
83 HC1 MMO 10 HM1 MER 10 5.261 3.559 -4.367
84 HC2 MMO 10 HM2 MER 10 3.647 2.932 -4.706
85 HC3 MMO 10 HM3 MER 10 4.032 3.558 -3.101
86 HE MMO 10 HE MER 10 8.291 7.951 -1.495
87 HH12 MMO 10 HH12 MER 10 10.305 6.336 -3.876
88 H PHE 11 HN PHE 11 3.209 7.272 -1.679
89 HA PHE 11 HA PHE 11 1.713 9.260 -3.238
90 HB2 PHE 11 HB2 PHE 11 0.414 8.315 -0.754
91 HB3 PHE 11 HB1 PHE 11 -0.278 8.553 -2.361
92 HD1 PHE 11 HD1 PHE 11 0.748 6.089 0.028
93 HD2 PHE 11 HD2 PHE 11 0.422 6.806 -4.159
94 HE1 PHE 11 HE1 PHE 11 0.830 3.705 -0.401
95 HE2 PHE 11 HE2 PHE 11 0.592 4.414 -4.584
96 HZ PHE 11 HZ PHE 11 0.771 2.857 -2.759
97 H NLE 12 HN NLE 12 1.910 8.685 0.275
98 HA NLE 12 HA NLE 12 3.736 10.771 0.846
99 HB2 NLE 12 HB1 NLE 12 0.913 11.525 1.562
100 HB3 NLE 12 HB2 NLE 12 1.596 11.979 0.009
101 HG2 NLE 12 HG1 NLE 12 2.943 13.567 0.910
102 HG3 NLE 12 HG2 NLE 12 3.203 12.653 2.399
103 HD2 NLE 12 HD1 NLE 12 0.950 13.233 3.156
104 HD3 NLE 12 HD2 NLE 12 0.686 14.153 1.666
105 HE1 NLE 12 HE1 NLE 12 2.811 14.713 3.733
106 HE2 NLE 12 HE2 NLE 12 1.317 15.625 3.515
107 HE3 NLE 12 HE3 NLE 12 2.545 15.628 2.249
108 H ARG 13 HN ARG 13 1.524 8.298 1.785
109 HA ARG 13 HA ARG 13 2.541 8.511 4.540
110 HB2 ARG 13 HB2 ARG 13 -0.318 8.255 3.682
111 HB3 ARG 13 HB1 ARG 13 0.204 7.578 5.219
112 HG2 ARG 13 HG2 ARG 13 0.994 9.777 5.926
113 HG3 ARG 13 HG1 ARG 13 0.485 10.458 4.380
114 HD2 ARG 13 HD2 ARG 13 -1.818 9.954 4.860
115 HD3 ARG 13 HD1 ARG 13 -1.365 9.099 6.335
116 HE ARG 13 HE ARG 13 -0.455 11.794 6.371
117 HH11 ARG 13 HH11 ARG 13 -3.346 9.859 6.851
118 HH12 ARG 13 HH12 ARG 13 -4.087 11.020 7.902
119 HH21 ARG 13 HH21 ARG 13 -3.009 12.964 8.408
120 HH22 ARG 13 HH22 ARG 13 -1.443 13.299 7.748
121 H SER 14 HN SER 14 2.809 6.610 5.657
122 HA SER 14 HA SER 14 3.156 4.288 3.952
123 HB2 SER 14 HB2 SER 14 4.376 3.353 5.943
124 HB3 SER 14 HB1 SER 14 5.050 4.862 5.330
125 HG SER 14 HG SER 14 3.242 4.673 7.510
126 HG3 B3D 15 HG2 B3D 15 0.324 4.531 8.996
127 HG2 B3D 15 HG1 B3D 15 -0.787 3.165 9.015
128 HB B3D 15 HB B3D 15 -0.188 2.753 6.518
129 H B3D 15 HN B3D 15 1.259 5.295 6.760
130 HA1 B3D 15 HA1 B3D 15 -1.147 5.585 6.837
131 HA2 B3D 15 HA2 B3D 15 -2.064 4.341 7.680
132 H HIS 16 HN HIS 16 -1.617 5.995 4.849
133 HA HIS 16 HA HIS 16 -3.744 4.796 3.474
134 HB2 HIS 16 HB2 HIS 16 -1.546 6.658 2.594
135 HB3 HIS 16 HB1 HIS 16 -2.776 6.086 1.474
136 HD1 HIS 16 HD1 HIS 16 -4.684 7.627 1.249
137 HD2 HIS 16 HD2 HIS 16 -2.917 7.926 4.999
138 HE1 HIS 16 HE1 HIS 16 -5.942 9.446 2.444
139 HE2 HIS 16 HE2 HIS 16 -4.897 9.568 4.732
140 H LEU 17 HN LEU 17 -0.262 4.212 3.324
141 HA LEU 17 HA LEU 17 -0.450 2.418 1.131
142 HB2 LEU 17 HB2 LEU 17 1.666 3.553 1.468
143 HB3 LEU 17 HB1 LEU 17 1.791 2.904 3.087
144 HG LEU 17 HG LEU 17 1.821 0.586 1.975
145 HD11 LEU 17 HD11 LEU 17 2.789 2.109 -0.433
146 HD12 LEU 17 HD12 LEU 17 1.131 1.515 -0.261
147 HD13 LEU 17 HD13 LEU 17 2.472 0.363 -0.267
148 HD21 LEU 17 HD21 LEU 17 4.200 0.653 1.686
149 HD22 LEU 17 HD22 LEU 17 3.725 1.627 3.080
150 HD23 LEU 17 HD23 LEU 17 4.164 2.414 1.560
151 H SER 18 HN SER 18 -0.317 2.042 4.668
152 HA SER 18 HA SER 18 0.025 -0.720 4.789
153 HB2 SER 18 HB2 SER 18 0.078 0.665 6.810
154 HB3 SER 18 HB1 SER 18 -1.645 1.010 6.643
155 HG SER 18 HG SER 18 -0.552 -0.975 7.942
156 H B3K 19 HN B3K 19 -3.080 1.076 4.792
157 HB B3K 19 HB B3K 19 -4.270 -1.385 3.681
158 HG2 B3K 19 HG1 B3K 19 -6.475 -0.321 4.609
159 HG3 B3K 19 HG2 B3K 19 -5.479 0.909 5.371
160 HD2 B3K 19 HD1 B3K 19 -4.376 -0.809 6.713
161 HD3 B3K 19 HD2 B3K 19 -5.370 -2.047 5.942
162 HE2 B3K 19 HE1 B3K 19 -7.389 -0.966 6.822
163 HE3 B3K 19 HE2 B3K 19 -6.384 0.251 7.612
164 HF1 B3K 19 HF1 B3K 19 -5.317 -1.489 8.952
165 HF2 B3K 19 HF2 B3K 19 -6.306 -2.713 8.158
166 HNZ1 B3K 19 HZ1 B3K 19 -7.330 -0.486 9.834
167 HNZ2 B3K 19 HZ2 B3K 19 -7.219 -2.106 10.305
168 HA1 B3K 19 HA1 B3K 19 -5.934 0.466 2.656
169 HA2 B3K 19 HA2 B3K 19 -4.538 1.511 2.858
170 HZ3 B3K 19 HZ3 B3K 19 -8.280 -1.657 9.067
171 H HIS 20 HN HIS 20 -2.869 1.406 1.488
172 HA HIS 20 HA HIS 20 -3.294 0.609 -1.111
173 HB2 HIS 20 HB2 HIS 20 -1.796 2.363 -0.490
174 HB3 HIS 20 HB1 HIS 20 -0.735 1.165 0.261
175 HD1 HIS 20 HD1 HIS 20 -1.916 2.291 -3.136
176 HD2 HIS 20 HD2 HIS 20 0.769 -0.358 -1.387
177 HE1 HIS 20 HE1 HIS 20 -0.543 1.302 -5.012
178 H ILE 21 HN ILE 21 -1.426 -1.023 1.391
179 HA ILE 21 HA ILE 21 -0.846 -3.146 -0.463
180 HB ILE 21 HB ILE 21 0.927 -3.829 0.927
181 HG12 ILE 21 HG12 ILE 21 1.379 -2.095 2.960
182 HG13 ILE 21 HG11 ILE 21 -0.377 -2.200 3.011
183 HG21 ILE 21 HG21 ILE 21 0.845 -0.932 0.529
184 HG22 ILE 21 HG22 ILE 21 1.496 -2.184 -0.535
185 HG23 ILE 21 HG23 ILE 21 2.300 -1.812 0.992
186 HD11 ILE 21 HD11 ILE 21 1.537 -4.513 3.212
187 HD12 ILE 21 HD12 ILE 21 -0.223 -4.622 3.264
188 HD13 ILE 21 HD13 ILE 21 0.647 -3.776 4.544
189 H B3K 22 HN B3K 22 -2.890 -2.471 2.149
190 HB B3K 22 HB B3K 22 -3.596 -5.319 2.221
191 HG2 B3K 22 HG1 B3K 22 -4.877 -3.722 4.330
192 HG3 B3K 22 HG2 B3K 22 -3.164 -3.329 4.312
193 HD2 B3K 22 HD1 B3K 22 -2.619 -5.700 4.561
194 HD3 B3K 22 HD2 B3K 22 -4.340 -6.085 4.598
195 HE2 B3K 22 HE1 B3K 22 -4.622 -4.777 6.620
196 HE3 B3K 22 HE2 B3K 22 -2.929 -4.285 6.565
197 HF1 B3K 22 HF1 B3K 22 -3.039 -6.023 8.154
198 HF2 B3K 22 HF2 B3K 22 -2.341 -6.739 6.702
199 HNZ1 B3K 22 HZ1 B3K 22 -4.510 -7.651 6.149
200 HNZ2 B3K 22 HZ2 B3K 22 -5.181 -6.967 7.542
201 HA1 B3K 22 HA1 B3K 22 -5.438 -2.859 2.216
202 HA2 B3K 22 HA2 B3K 22 -5.994 -4.505 2.468
203 HZ3 B3K 22 HZ3 B3K 22 -4.011 -8.181 7.677
204 H THR 23 HN THR 23 -3.804 -2.900 0.048
205 HA THR 23 HA THR 23 -5.675 -3.867 -2.010
206 HB THR 23 HB THR 23 -3.456 -1.916 -2.649
207 HG1 THR 23 HG1 THR 23 -4.728 -1.073 -0.879
208 HG21 THR 23 HG21 THR 23 -4.967 -1.230 -4.417
209 HG22 THR 23 HG22 THR 23 -6.226 -2.303 -3.804
210 HG23 THR 23 HG23 THR 23 -4.743 -2.980 -4.478
211 H HIS 24 HN HIS 24 -2.172 -3.748 -1.294
212 HA HIS 24 HA HIS 24 -1.424 -5.474 -3.364
213 HB2 HIS 24 HB2 HIS 24 -0.189 -4.731 -0.772
214 HB3 HIS 24 HB1 HIS 24 0.499 -6.095 -1.647
215 HD1 HIS 24 HD1 HIS 24 2.126 -5.513 -3.559
216 HD2 HIS 24 HD2 HIS 24 0.036 -2.219 -2.116
217 HE1 HIS 24 HE1 HIS 24 3.007 -3.444 -4.760
218 HN B3Q 25 HN B3Q 25 -2.737 -5.867 -0.386
219 HB B3Q 25 HB B3Q 25 -3.277 -8.723 -0.826
220 HG B3Q 25 HG1 B3Q 25 -3.300 -8.956 1.694
221 HGA B3Q 25 HG2 B3Q 25 -2.606 -7.347 1.808
222 HA B3Q 25 HA1 B3Q 25 -4.781 -6.944 1.018
223 HAA B3Q 25 HA2 B3Q 25 -4.783 -6.526 -0.699
224 H8 B3Q 25 HD1 B3Q 25 -1.036 -9.028 0.067
225 H9 B3Q 25 HD2 B3Q 25 -1.228 -9.757 1.661
226 H11 B3Q 25 HF21 B3Q 25 0.038 -7.059 -0.125
227 H12 B3Q 25 HF22 B3Q 25 1.037 -6.431 1.138
228 H ASN 26 HN ASN 26 -7.080 -6.781 -0.287
229 HA ASN 26 HA ASN 26 -7.993 -9.584 -0.369
230 HB2 ASN 26 HB2 ASN 26 -9.440 -7.008 0.264
231 HB3 ASN 26 HB1 ASN 26 -10.279 -8.535 0.010
232 HD21 ASN 26 HD21 ASN 26 -8.167 -6.732 2.091
233 HD22 ASN 26 HD22 ASN 26 -8.290 -7.777 3.462
234 H LYS 27 HN LYS 27 -9.560 -10.238 -1.922
235 HA LYS 27 HA LYS 27 -9.223 -8.900 -4.499
236 HB2 LYS 27 HB2 LYS 27 -10.206 -11.642 -3.720
237 HB3 LYS 27 HB1 LYS 27 -10.363 -11.023 -5.358
238 HG2 LYS 27 HG2 LYS 27 -7.936 -10.778 -5.503
239 HG3 LYS 27 HG1 LYS 27 -7.777 -11.390 -3.856
240 HD2 LYS 27 HD2 LYS 27 -8.785 -13.512 -4.551
241 HD3 LYS 27 HD1 LYS 27 -8.942 -12.899 -6.198
242 HE2 LYS 27 HE2 LYS 27 -6.301 -13.086 -4.768
243 HE3 LYS 27 HE1 LYS 27 -6.956 -14.404 -5.736
244 HZ1 LYS 27 HZ1 LYS 27 -6.987 -12.930 -7.653
245 HZ2 LYS 27 HZ2 LYS 27 -5.425 -13.045 -7.015
246 HZ3 LYS 27 HZ3 LYS 27 -6.358 -11.665 -6.722
247 H LYS 28 HN LYS 28 -11.796 -9.990 -2.318
248 HA LYS 28 HA LYS 28 -13.686 -8.277 -3.791
249 HB2 LYS 28 HB2 LYS 28 -14.144 -11.000 -2.581
250 HB3 LYS 28 HB1 LYS 28 -15.471 -9.906 -2.942
251 HG2 LYS 28 HG2 LYS 28 -14.810 -9.887 -5.299
252 HG3 LYS 28 HG1 LYS 28 -13.491 -11.000 -4.932
253 HD2 LYS 28 HD2 LYS 28 -15.110 -12.671 -4.175
254 HD3 LYS 28 HD1 LYS 28 -16.430 -11.556 -4.533
255 HE2 LYS 28 HE2 LYS 28 -15.783 -11.554 -6.894
256 HE3 LYS 28 HE1 LYS 28 -14.467 -12.672 -6.533
257 HZ1 LYS 28 HZ1 LYS 28 -16.391 -13.830 -7.416
258 HZ2 LYS 28 HZ2 LYS 28 -17.361 -13.232 -6.167
259 HZ3 LYS 28 HZ3 LYS 28 -16.102 -14.304 -5.818
260 HN1 NH2 29 HN1 NH2 29 -14.224 -6.597 -2.615
261 HN2 NH2 29 HN2 NH2 29 -14.406 -6.553 -0.898
Start of MODEL 5
1 H1 LYS 1 HT1 LYS 1 9.655 0.559 6.153
2 H2 LYS 1 HT2 LYS 1 9.783 1.598 4.824
3 H3 LYS 1 HT3 LYS 1 8.322 0.805 5.138
4 HA LYS 1 HA LYS 1 8.041 2.020 7.181
5 HB2 LYS 1 HB2 LYS 1 10.696 3.208 6.383
6 HB3 LYS 1 HB1 LYS 1 9.620 4.004 7.522
7 HG2 LYS 1 HG2 LYS 1 9.729 2.033 8.982
8 HG3 LYS 1 HG1 LYS 1 10.844 1.270 7.846
9 HD2 LYS 1 HD2 LYS 1 12.446 3.078 8.193
10 HD3 LYS 1 HD1 LYS 1 11.326 3.869 9.305
11 HE2 LYS 1 HE2 LYS 1 11.438 1.917 10.788
12 HE3 LYS 1 HE1 LYS 1 12.575 1.147 9.680
13 HZ1 LYS 1 HZ1 LYS 1 14.130 2.952 10.077
14 HZ2 LYS 1 HZ2 LYS 1 13.713 2.200 11.533
15 HZ3 LYS 1 HZ3 LYS 1 13.038 3.697 11.133
16 H TYR 2 HN TYR 2 9.243 3.217 4.076
17 HA TYR 2 HA TYR 2 6.848 4.900 3.853
18 HB2 TYR 2 HB2 TYR 2 9.700 5.729 3.316
19 HB3 TYR 2 HB1 TYR 2 8.330 6.592 2.630
20 HD1 TYR 2 HD1 TYR 2 6.868 7.930 4.043
21 HD2 TYR 2 HD2 TYR 2 10.193 5.851 5.690
22 HE1 TYR 2 HE1 TYR 2 6.674 9.264 6.099
23 HE2 TYR 2 HE2 TYR 2 10.009 7.178 7.752
24 HH TYR 2 HH TYR 2 9.096 9.349 8.470
25 HM1 MAA 3 HM1 MEA 3 5.011 4.929 2.496
26 HM2 MAA 3 HM2 MEA 3 5.001 5.797 0.964
27 HM3 MAA 3 HM3 MEA 3 6.100 6.291 2.248
28 HA MAA 3 HA MEA 3 5.652 4.569 -0.642
29 HB1 MAA 3 HB1 MEA 3 8.576 3.951 -0.452
30 HB2 MAA 3 HB2 MEA 3 7.768 5.251 -1.331
31 HB3 MAA 3 HB3 MEA 3 7.609 3.573 -1.878
32 H CYS 4 HN CYS 4 5.395 2.919 -2.021
33 HA CYS 4 HA CYS 4 4.462 0.518 -0.873
34 HB2 CYS 4 HB2 CYS 4 3.284 1.443 -2.643
35 HB3 CYS 4 HB1 CYS 4 4.743 1.616 -3.612
36 HA PRO 5 HA PRO 5 7.849 -2.145 -1.193
37 HB2 PRO 5 HB2 PRO 5 6.671 -4.327 -0.343
38 HB3 PRO 5 HB1 PRO 5 6.585 -2.851 0.652
39 HG2 PRO 5 HG2 PRO 5 4.535 -3.829 -1.307
40 HG3 PRO 5 HG1 PRO 5 4.329 -3.507 0.435
41 HD2 PRO 5 HD2 PRO 5 3.789 -1.656 -1.440
42 HD3 PRO 5 HD1 PRO 5 4.448 -1.238 0.158
43 H GLU 6 HN GLU 6 5.096 -2.620 -3.309
44 HA GLU 6 HA GLU 6 6.822 -4.404 -4.929
45 HB2 GLU 6 HB2 GLU 6 3.859 -4.899 -4.773
46 HB3 GLU 6 HB1 GLU 6 5.081 -5.893 -5.536
47 HG2 GLU 6 HG2 GLU 6 5.276 -5.366 -2.630
48 HG3 GLU 6 HG1 GLU 6 4.076 -6.521 -3.203
49 H CYS 7 HN CYS 7 4.455 -1.902 -4.843
50 HA CYS 7 HA CYS 7 5.077 -1.439 -7.641
51 HB2 CYS 7 HB2 CYS 7 2.979 -0.956 -8.458
52 HB3 CYS 7 HB1 CYS 7 2.806 -2.470 -7.587
53 HA PRO 8 HA PRO 8 6.441 2.426 -5.837
54 HB2 PRO 8 HB2 PRO 8 6.868 3.098 -8.699
55 HB3 PRO 8 HB1 PRO 8 8.017 3.118 -7.348
56 HG2 PRO 8 HG2 PRO 8 8.127 1.224 -9.189
57 HG3 PRO 8 HG1 PRO 8 8.427 0.862 -7.475
58 HD2 PRO 8 HD2 PRO 8 5.964 0.351 -9.093
59 HD3 PRO 8 HD1 PRO 8 6.752 -0.673 -7.882
60 H LYS 9 HN LYS 9 3.612 2.296 -6.090
61 HA LYS 9 HA LYS 9 2.670 4.486 -7.524
62 HB2 LYS 9 HB2 LYS 9 1.389 2.961 -5.330
63 HB3 LYS 9 HB1 LYS 9 0.579 4.238 -6.234
64 HG2 LYS 9 HG2 LYS 9 1.781 1.970 -7.730
65 HG3 LYS 9 HG1 LYS 9 0.262 1.724 -6.874
66 HD2 LYS 9 HD2 LYS 9 -0.730 3.605 -8.095
67 HD3 LYS 9 HD1 LYS 9 0.795 3.850 -8.950
68 HE2 LYS 9 HE2 LYS 9 0.606 1.610 -9.920
69 HE3 LYS 9 HE1 LYS 9 -0.915 1.366 -9.062
70 HZ1 LYS 9 HZ1 LYS 9 -0.407 3.441 -11.126
71 HZ2 LYS 9 HZ2 LYS 9 -1.867 3.208 -10.306
72 HZ3 LYS 9 HZ3 LYS 9 -1.288 2.016 -11.357
73 HA MMO 10 HA MER 10 4.061 5.774 -2.605
74 HCB1 MMO 10 HB1 MER 10 5.286 7.408 -4.804
75 HCB2 MMO 10 HB2 MER 10 5.879 5.795 -4.439
76 HCG1 MMO 10 HG1 MER 10 6.088 6.704 -2.012
77 HCG2 MMO 10 HG2 MER 10 6.077 8.278 -2.812
78 HCD1 MMO 10 HD1 MER 10 7.951 7.610 -4.202
79 HCD2 MMO 10 HD2 MER 10 7.938 6.002 -3.480
80 HH21 MMO 10 HH21 MER 10 10.229 8.315 -0.464
81 HH22 MMO 10 HH22 MER 10 11.690 8.028 -1.350
82 HH11 MMO 10 HH11 MER 10 11.612 7.174 -3.463
83 HC1 MMO 10 HM1 MER 10 3.604 3.120 -4.749
84 HC2 MMO 10 HM2 MER 10 3.081 3.647 -3.150
85 HC3 MMO 10 HM3 MER 10 4.786 3.735 -3.597
86 HE MMO 10 HE MER 10 8.224 7.837 -1.408
87 HH12 MMO 10 HH12 MER 10 10.089 6.803 -4.199
88 H PHE 11 HN PHE 11 3.017 7.127 -1.455
89 HA PHE 11 HA PHE 11 1.515 9.346 -2.676
90 HB2 PHE 11 HB2 PHE 11 0.114 8.038 -0.454
91 HB3 PHE 11 HB1 PHE 11 -0.485 8.432 -2.067
92 HD1 PHE 11 HD1 PHE 11 -0.014 6.869 -3.961
93 HD2 PHE 11 HD2 PHE 11 0.851 5.798 0.077
94 HE1 PHE 11 HE1 PHE 11 0.265 4.528 -4.625
95 HE2 PHE 11 HE2 PHE 11 1.031 3.481 -0.591
96 HZ PHE 11 HZ PHE 11 0.763 2.837 -2.999
97 H NLE 12 HN NLE 12 3.942 8.679 -0.757
98 HA NLE 12 HA NLE 12 5.060 9.661 0.944
99 HB2 NLE 12 HB1 NLE 12 4.306 11.990 1.669
100 HB3 NLE 12 HB2 NLE 12 3.026 11.845 0.475
101 HG2 NLE 12 HG1 NLE 12 5.858 11.424 -0.363
102 HG3 NLE 12 HG2 NLE 12 5.252 13.063 -0.123
103 HD2 NLE 12 HD1 NLE 12 3.449 12.636 -1.734
104 HD3 NLE 12 HD2 NLE 12 4.067 10.996 -1.984
105 HE1 NLE 12 HE1 NLE 12 4.831 12.505 -3.747
106 HE2 NLE 12 HE2 NLE 12 6.186 11.919 -2.781
107 HE3 NLE 12 HE3 NLE 12 5.568 13.553 -2.535
108 H ARG 13 HN ARG 13 2.469 8.006 1.356
109 HA ARG 13 HA ARG 13 2.273 8.556 4.247
110 HB2 ARG 13 HB2 ARG 13 0.064 8.068 2.270
111 HB3 ARG 13 HB1 ARG 13 -0.146 7.638 3.961
112 HG2 ARG 13 HG2 ARG 13 0.753 10.396 3.246
113 HG3 ARG 13 HG1 ARG 13 -0.946 9.961 3.065
114 HD2 ARG 13 HD2 ARG 13 -0.717 10.933 5.216
115 HD3 ARG 13 HD1 ARG 13 -0.894 9.198 5.468
116 HE ARG 13 HE ARG 13 1.846 9.931 5.324
117 HH11 ARG 13 HH11 ARG 13 -0.897 10.015 7.515
118 HH12 ARG 13 HH12 ARG 13 0.093 10.013 8.937
119 HH21 ARG 13 HH21 ARG 13 2.366 9.964 8.756
120 HH22 ARG 13 HH22 ARG 13 3.122 9.927 7.198
121 H SER 14 HN SER 14 2.662 6.834 5.486
122 HA SER 14 HA SER 14 3.225 4.319 4.162
123 HB2 SER 14 HB2 SER 14 4.816 5.269 5.828
124 HB3 SER 14 HB1 SER 14 3.594 5.054 7.081
125 HG SER 14 HG SER 14 3.752 2.862 6.854
126 HG3 B3D 15 HG2 B3D 15 -0.128 4.778 8.893
127 HG2 B3D 15 HG1 B3D 15 -1.255 3.430 8.801
128 HB B3D 15 HB B3D 15 -0.442 3.009 6.379
129 H B3D 15 HN B3D 15 1.073 5.496 6.765
130 HA1 B3D 15 HA1 B3D 15 -1.319 5.855 6.496
131 HA2 B3D 15 HA2 B3D 15 -2.328 4.731 7.398
132 H HIS 16 HN HIS 16 -1.785 6.163 4.504
133 HA HIS 16 HA HIS 16 -3.862 4.864 3.133
134 HB2 HIS 16 HB2 HIS 16 -1.646 6.646 2.122
135 HB3 HIS 16 HB1 HIS 16 -2.979 6.093 1.119
136 HD1 HIS 16 HD1 HIS 16 -2.062 8.629 3.623
137 HD2 HIS 16 HD2 HIS 16 -5.537 7.160 1.883
138 HE1 HIS 16 HE1 HIS 16 -3.845 10.319 4.154
139 HE2 HIS 16 HE2 HIS 16 -5.919 9.455 3.013
140 H LEU 17 HN LEU 17 -0.348 4.387 3.042
141 HA LEU 17 HA LEU 17 -0.416 2.483 0.957
142 HB2 LEU 17 HB2 LEU 17 1.647 3.660 1.321
143 HB3 LEU 17 HB1 LEU 17 1.699 3.156 2.992
144 HG LEU 17 HG LEU 17 1.966 0.777 2.177
145 HD11 LEU 17 HD11 LEU 17 1.147 1.338 -0.155
146 HD12 LEU 17 HD12 LEU 17 2.548 0.271 -0.039
147 HD13 LEU 17 HD13 LEU 17 2.763 1.987 -0.460
148 HD21 LEU 17 HD21 LEU 17 3.795 2.119 3.052
149 HD22 LEU 17 HD22 LEU 17 4.118 2.733 1.426
150 HD23 LEU 17 HD23 LEU 17 4.330 1.016 1.783
151 H SER 18 HN SER 18 -0.433 2.220 4.503
152 HA SER 18 HA SER 18 -0.036 -0.537 4.704
153 HB2 SER 18 HB2 SER 18 -0.017 0.941 6.674
154 HB3 SER 18 HB1 SER 18 -1.755 1.193 6.508
155 HG SER 18 HG SER 18 -1.213 -1.435 6.552
156 H B3K 19 HN B3K 19 -3.174 1.215 4.672
157 HB B3K 19 HB B3K 19 -4.329 -1.313 3.672
158 HG2 B3K 19 HG1 B3K 19 -6.547 -0.214 4.538
159 HG3 B3K 19 HG2 B3K 19 -5.555 1.055 5.239
160 HD2 B3K 19 HD1 B3K 19 -4.442 -0.597 6.659
161 HD3 B3K 19 HD2 B3K 19 -5.441 -1.870 5.953
162 HE2 B3K 19 HE1 B3K 19 -7.454 -0.765 6.795
163 HE3 B3K 19 HE2 B3K 19 -6.460 0.512 7.500
164 HF1 B3K 19 HF1 B3K 19 -5.355 -1.138 8.929
165 HF2 B3K 19 HF2 B3K 19 -6.351 -2.412 8.229
166 HNZ1 B3K 19 HZ1 B3K 19 -7.232 -1.671 10.349
167 HNZ2 B3K 19 HZ2 B3K 19 -8.315 -1.309 9.102
168 HA1 B3K 19 HA1 B3K 19 -6.019 0.419 2.528
169 HA2 B3K 19 HA2 B3K 19 -4.675 1.536 2.698
170 HZ3 B3K 19 HZ3 B3K 19 -7.362 -0.085 9.772
171 H HIS 20 HN HIS 20 -2.938 1.398 1.400
172 HA HIS 20 HA HIS 20 -3.270 0.545 -1.192
173 HB2 HIS 20 HB2 HIS 20 -1.811 2.313 -0.516
174 HB3 HIS 20 HB1 HIS 20 -0.753 1.112 0.240
175 HD1 HIS 20 HD1 HIS 20 -1.952 2.224 -3.147
176 HD2 HIS 20 HD2 HIS 20 0.783 -0.380 -1.403
177 HE1 HIS 20 HE1 HIS 20 -0.600 1.234 -5.028
178 H ILE 21 HN ILE 21 -1.421 -1.000 1.389
179 HA ILE 21 HA ILE 21 -0.833 -3.185 -0.393
180 HB ILE 21 HB ILE 21 0.935 -3.814 1.030
181 HG12 ILE 21 HG12 ILE 21 1.363 -1.995 3.001
182 HG13 ILE 21 HG11 ILE 21 -0.392 -2.129 3.047
183 HG21 ILE 21 HG21 ILE 21 1.482 -2.201 -0.493
184 HG22 ILE 21 HG22 ILE 21 2.318 -1.824 1.015
185 HG23 ILE 21 HG23 ILE 21 0.869 -0.926 0.561
186 HD11 ILE 21 HD11 ILE 21 1.558 -4.402 3.339
187 HD12 ILE 21 HD12 ILE 21 -0.199 -4.536 3.388
188 HD13 ILE 21 HD13 ILE 21 0.651 -3.632 4.640
189 H B3K 22 HN B3K 22 -2.935 -2.424 2.121
190 HB B3K 22 HB B3K 22 -3.587 -5.275 2.354
191 HG2 B3K 22 HG1 B3K 22 -4.913 -3.474 4.309
192 HG3 B3K 22 HG2 B3K 22 -3.171 -3.238 4.351
193 HD2 B3K 22 HD1 B3K 22 -2.870 -5.643 4.741
194 HD3 B3K 22 HD2 B3K 22 -4.622 -5.847 4.743
195 HE2 B3K 22 HE1 B3K 22 -4.803 -4.345 6.663
196 HE3 B3K 22 HE2 B3K 22 -3.051 -4.125 6.660
197 HF1 B3K 22 HF1 B3K 22 -2.757 -6.524 7.075
198 HF2 B3K 22 HF2 B3K 22 -4.507 -6.729 7.102
199 HNZ1 B3K 22 HZ1 B3K 22 -2.938 -5.058 8.989
200 HNZ2 B3K 22 HZ2 B3K 22 -3.606 -6.573 9.334
201 HA1 B3K 22 HA1 B3K 22 -5.483 -2.865 2.174
202 HA2 B3K 22 HA2 B3K 22 -6.001 -4.513 2.483
203 HZ3 B3K 22 HZ3 B3K 22 -4.618 -5.256 9.013
204 H THR 23 HN THR 23 -3.788 -2.958 0.050
205 HA THR 23 HA THR 23 -5.606 -4.018 -2.010
206 HB THR 23 HB THR 23 -3.390 -2.069 -2.662
207 HG1 THR 23 HG1 THR 23 -5.297 -1.539 -0.941
208 HG21 THR 23 HG21 THR 23 -6.130 -2.522 -3.859
209 HG22 THR 23 HG22 THR 23 -4.620 -3.174 -4.495
210 HG23 THR 23 HG23 THR 23 -4.886 -1.429 -4.466
211 H HIS 24 HN HIS 24 -2.117 -3.818 -1.250
212 HA HIS 24 HA HIS 24 -1.327 -5.623 -3.241
213 HB2 HIS 24 HB2 HIS 24 -0.110 -4.728 -0.685
214 HB3 HIS 24 HB1 HIS 24 0.624 -6.093 -1.521
215 HD1 HIS 24 HD1 HIS 24 2.233 -5.504 -3.450
216 HD2 HIS 24 HD2 HIS 24 0.012 -2.257 -2.106
217 HE1 HIS 24 HE1 HIS 24 3.047 -3.427 -4.702
218 HN B3Q 25 HN B3Q 25 -2.661 -5.892 -0.269
219 HB B3Q 25 HB B3Q 25 -3.081 -8.785 -0.531
220 HG B3Q 25 HG1 B3Q 25 -3.019 -8.913 1.979
221 HGA B3Q 25 HG2 B3Q 25 -2.484 -7.240 2.034
222 HA B3Q 25 HA1 B3Q 25 -4.640 -6.978 1.235
223 HAA B3Q 25 HA2 B3Q 25 -4.657 -6.623 -0.496
224 H8 B3Q 25 HD1 B3Q 25 -0.612 -8.344 0.400
225 H9 B3Q 25 HD2 B3Q 25 -0.961 -9.681 1.494
226 H11 B3Q 25 HF21 B3Q 25 0.257 -6.432 1.226
227 H12 B3Q 25 HF22 B3Q 25 1.004 -6.368 2.783
228 H ASN 26 HN ASN 26 -6.908 -6.931 -0.269
229 HA ASN 26 HA ASN 26 -8.844 -8.036 -0.697
230 HB2 ASN 26 HB2 ASN 26 -6.983 -10.278 -1.506
231 HB3 ASN 26 HB1 ASN 26 -8.732 -10.351 -1.698
232 HD21 ASN 26 HD21 ASN 26 -9.733 -9.028 -3.217
233 HD22 ASN 26 HD22 ASN 26 -8.848 -8.257 -4.485
234 H LYS 27 HN LYS 27 -10.267 -8.645 0.749
235 HA LYS 27 HA LYS 27 -9.561 -10.735 2.699
236 HB2 LYS 27 HB2 LYS 27 -10.851 -8.060 3.228
237 HB3 LYS 27 HB1 LYS 27 -10.979 -9.401 4.356
238 HG2 LYS 27 HG2 LYS 27 -8.551 -9.450 4.587
239 HG3 LYS 27 HG1 LYS 27 -8.413 -8.115 3.440
240 HD2 LYS 27 HD2 LYS 27 -9.708 -6.687 4.958
241 HD3 LYS 27 HD1 LYS 27 -9.832 -8.022 6.104
242 HE2 LYS 27 HE2 LYS 27 -7.195 -6.921 5.161
243 HE3 LYS 27 HE1 LYS 27 -8.041 -6.291 6.573
244 HZ1 LYS 27 HZ1 LYS 27 -7.943 -8.493 7.568
245 HZ2 LYS 27 HZ2 LYS 27 -6.390 -7.937 7.196
246 HZ3 LYS 27 HZ3 LYS 27 -7.131 -9.096 6.211
247 H LYS 28 HN LYS 28 -11.323 -11.937 3.557
248 HA LYS 28 HA LYS 28 -13.577 -12.127 1.702
249 HB2 LYS 28 HB2 LYS 28 -12.457 -14.022 3.763
250 HB3 LYS 28 HB1 LYS 28 -14.005 -14.302 2.980
251 HG2 LYS 28 HG2 LYS 28 -12.902 -14.349 0.803
252 HG3 LYS 28 HG1 LYS 28 -11.347 -14.056 1.584
253 HD2 LYS 28 HD2 LYS 28 -11.573 -16.156 2.821
254 HD3 LYS 28 HD1 LYS 28 -13.132 -16.446 2.048
255 HE2 LYS 28 HE2 LYS 28 -10.581 -16.088 0.494
256 HE3 LYS 28 HE1 LYS 28 -11.136 -17.661 1.063
257 HZ1 LYS 28 HZ1 LYS 28 -13.172 -17.359 -0.210
258 HZ2 LYS 28 HZ2 LYS 28 -11.817 -17.258 -1.217
259 HZ3 LYS 28 HZ3 LYS 28 -12.634 -15.850 -0.757
260 HN1 NH2 29 HN1 NH2 29 -13.001 -12.042 5.212
261 HN2 NH2 29 HN2 NH2 29 -14.561 -11.428 5.628
Start of MODEL 6
1 H1 LYS 1 HT1 LYS 1 6.468 1.170 6.989
2 H2 LYS 1 HT2 LYS 1 7.103 2.490 7.834
3 H3 LYS 1 HT3 LYS 1 7.858 0.980 7.934
4 HA LYS 1 HA LYS 1 9.085 2.462 6.490
5 HB2 LYS 1 HB2 LYS 1 8.613 -0.126 6.076
6 HB3 LYS 1 HB1 LYS 1 7.836 0.492 4.625
7 HG2 LYS 1 HG2 LYS 1 9.922 1.588 3.971
8 HG3 LYS 1 HG1 LYS 1 10.701 0.972 5.430
9 HD2 LYS 1 HD2 LYS 1 10.289 -1.324 4.675
10 HD3 LYS 1 HD1 LYS 1 9.518 -0.704 3.215
11 HE2 LYS 1 HE2 LYS 1 12.356 -0.049 3.975
12 HE3 LYS 1 HE1 LYS 1 11.928 -1.442 2.984
13 HZ1 LYS 1 HZ1 LYS 1 12.553 0.455 1.625
14 HZ2 LYS 1 HZ2 LYS 1 11.335 1.395 2.326
15 HZ3 LYS 1 HZ3 LYS 1 10.928 0.059 1.373
16 H TYR 2 HN TYR 2 9.193 3.709 4.586
17 HA TYR 2 HA TYR 2 6.660 4.965 3.866
18 HB2 TYR 2 HB2 TYR 2 9.544 5.753 3.453
19 HB3 TYR 2 HB1 TYR 2 8.215 6.630 2.707
20 HD1 TYR 2 HD1 TYR 2 6.714 7.995 4.052
21 HD2 TYR 2 HD2 TYR 2 9.936 5.875 5.847
22 HE1 TYR 2 HE1 TYR 2 6.454 9.340 6.095
23 HE2 TYR 2 HE2 TYR 2 9.685 7.213 7.894
24 HH TYR 2 HH TYR 2 8.774 9.395 8.568
25 HM1 MAA 3 HM1 MEA 3 6.010 6.350 2.215
26 HM2 MAA 3 HM2 MEA 3 4.888 5.005 2.427
27 HM3 MAA 3 HM3 MEA 3 4.962 5.860 0.889
28 HA MAA 3 HA MEA 3 5.653 4.594 -0.671
29 HB1 MAA 3 HB1 MEA 3 8.574 4.089 -0.327
30 HB2 MAA 3 HB2 MEA 3 7.738 5.221 -1.393
31 HB3 MAA 3 HB3 MEA 3 7.713 3.484 -1.743
32 H CYS 4 HN CYS 4 5.381 2.931 -2.009
33 HA CYS 4 HA CYS 4 4.462 0.531 -0.843
34 HB2 CYS 4 HB2 CYS 4 3.258 1.414 -2.606
35 HB3 CYS 4 HB1 CYS 4 4.709 1.647 -3.569
36 HA PRO 5 HA PRO 5 7.857 -2.116 -1.153
37 HB2 PRO 5 HB2 PRO 5 6.678 -4.309 -0.326
38 HB3 PRO 5 HB1 PRO 5 6.581 -2.839 0.678
39 HG2 PRO 5 HG2 PRO 5 4.549 -3.808 -1.306
40 HG3 PRO 5 HG1 PRO 5 4.327 -3.503 0.436
41 HD2 PRO 5 HD2 PRO 5 3.794 -1.638 -1.419
42 HD3 PRO 5 HD1 PRO 5 4.451 -1.231 0.183
43 H GLU 6 HN GLU 6 5.122 -2.596 -3.297
44 HA GLU 6 HA GLU 6 6.878 -4.353 -4.913
45 HB2 GLU 6 HB2 GLU 6 3.930 -4.917 -4.803
46 HB3 GLU 6 HB1 GLU 6 5.198 -5.896 -5.506
47 HG2 GLU 6 HG2 GLU 6 5.287 -5.311 -2.607
48 HG3 GLU 6 HG1 GLU 6 4.132 -6.503 -3.195
49 H CYS 7 HN CYS 7 4.518 -1.857 -4.837
50 HA CYS 7 HA CYS 7 5.073 -1.461 -7.658
51 HB2 CYS 7 HB2 CYS 7 2.953 -1.042 -8.444
52 HB3 CYS 7 HB1 CYS 7 2.794 -2.500 -7.481
53 HA PRO 8 HA PRO 8 6.468 2.519 -6.111
54 HB2 PRO 8 HB2 PRO 8 6.562 3.034 -9.048
55 HB3 PRO 8 HB1 PRO 8 7.821 3.260 -7.818
56 HG2 PRO 8 HG2 PRO 8 7.948 1.229 -9.488
57 HG3 PRO 8 HG1 PRO 8 8.380 1.026 -7.777
58 HD2 PRO 8 HD2 PRO 8 5.879 0.205 -9.188
59 HD3 PRO 8 HD1 PRO 8 6.796 -0.640 -7.929
60 H LYS 9 HN LYS 9 3.658 2.235 -6.095
61 HA LYS 9 HA LYS 9 2.420 4.334 -7.455
62 HB2 LYS 9 HB2 LYS 9 1.444 2.167 -6.423
63 HB3 LYS 9 HB1 LYS 9 1.248 3.185 -5.014
64 HG2 LYS 9 HG2 LYS 9 -0.813 3.396 -6.036
65 HG3 LYS 9 HG1 LYS 9 0.041 4.790 -6.704
66 HD2 LYS 9 HD2 LYS 9 0.568 3.494 -8.717
67 HD3 LYS 9 HD1 LYS 9 -0.285 2.103 -8.044
68 HE2 LYS 9 HE2 LYS 9 -2.361 3.398 -8.006
69 HE3 LYS 9 HE1 LYS 9 -1.507 4.788 -8.675
70 HZ1 LYS 9 HZ1 LYS 9 -1.033 3.493 -10.660
71 HZ2 LYS 9 HZ2 LYS 9 -2.700 3.576 -10.387
72 HZ3 LYS 9 HZ3 LYS 9 -1.854 2.160 -10.017
73 HA MMO 10 HA MER 10 4.094 5.735 -2.639
74 HCB1 MMO 10 HB1 MER 10 5.263 7.344 -4.883
75 HCB2 MMO 10 HB2 MER 10 5.870 5.739 -4.511
76 HCG1 MMO 10 HG1 MER 10 6.092 6.716 -2.088
77 HCG2 MMO 10 HG2 MER 10 6.123 8.255 -2.951
78 HCD1 MMO 10 HD1 MER 10 7.895 5.939 -3.698
79 HCD2 MMO 10 HD2 MER 10 8.368 7.149 -2.503
80 HH21 MMO 10 HH21 MER 10 9.082 9.335 -6.294
81 HH22 MMO 10 HH22 MER 10 10.698 8.713 -6.328
82 HH11 MMO 10 HH11 MER 10 11.324 7.043 -4.907
83 HC1 MMO 10 HM1 MER 10 5.009 3.671 -3.996
84 HC2 MMO 10 HM2 MER 10 3.531 3.033 -4.721
85 HC3 MMO 10 HM3 MER 10 3.524 3.594 -3.048
86 HE MMO 10 HE MER 10 7.576 8.486 -4.827
87 HH12 MMO 10 HH12 MER 10 10.186 6.382 -3.781
88 H PHE 11 HN PHE 11 3.105 7.117 -1.475
89 HA PHE 11 HA PHE 11 1.570 9.327 -2.671
90 HB2 PHE 11 HB2 PHE 11 0.187 8.060 -0.426
91 HB3 PHE 11 HB1 PHE 11 -0.418 8.404 -2.048
92 HD1 PHE 11 HD1 PHE 11 0.847 5.825 0.183
93 HD2 PHE 11 HD2 PHE 11 0.115 6.801 -3.904
94 HE1 PHE 11 HE1 PHE 11 1.031 3.486 -0.431
95 HE2 PHE 11 HE2 PHE 11 0.382 4.446 -4.505
96 HZ PHE 11 HZ PHE 11 0.813 2.792 -2.810
97 H NLE 12 HN NLE 12 4.016 8.633 -0.763
98 HA NLE 12 HA NLE 12 5.167 9.632 0.906
99 HB2 NLE 12 HB1 NLE 12 4.432 11.958 1.645
100 HB3 NLE 12 HB2 NLE 12 3.124 11.818 0.480
101 HG2 NLE 12 HG1 NLE 12 5.935 11.392 -0.425
102 HG3 NLE 12 HG2 NLE 12 5.338 13.031 -0.168
103 HD2 NLE 12 HD1 NLE 12 3.498 12.611 -1.737
104 HD3 NLE 12 HD2 NLE 12 4.104 10.969 -2.002
105 HE1 NLE 12 HE1 NLE 12 6.206 11.883 -2.849
106 HE2 NLE 12 HE2 NLE 12 5.603 13.519 -2.587
107 HE3 NLE 12 HE3 NLE 12 4.832 12.476 -3.782
108 H ARG 13 HN ARG 13 2.547 8.001 1.371
109 HA ARG 13 HA ARG 13 2.446 8.547 4.266
110 HB2 ARG 13 HB2 ARG 13 0.159 8.037 2.381
111 HB3 ARG 13 HB1 ARG 13 0.025 7.660 4.094
112 HG2 ARG 13 HG2 ARG 13 0.634 10.041 4.573
113 HG3 ARG 13 HG1 ARG 13 0.498 10.352 2.842
114 HD2 ARG 13 HD2 ARG 13 -1.823 9.643 2.874
115 HD3 ARG 13 HD1 ARG 13 -1.696 9.243 4.587
116 HE ARG 13 HE ARG 13 -1.170 11.727 4.843
117 HH11 ARG 13 HH11 ARG 13 -3.322 10.495 2.355
118 HH12 ARG 13 HH12 ARG 13 -4.238 11.963 2.261
119 HH21 ARG 13 HH21 ARG 13 -3.706 13.737 3.588
120 HH22 ARG 13 HH22 ARG 13 -2.383 13.635 4.702
121 H SER 14 HN SER 14 2.571 6.797 5.571
122 HA SER 14 HA SER 14 3.210 4.283 4.248
123 HB2 SER 14 HB2 SER 14 3.580 5.115 7.138
124 HB3 SER 14 HB1 SER 14 4.143 3.602 6.431
125 HG SER 14 HG SER 14 5.864 4.684 5.932
126 HG3 B3D 15 HG2 B3D 15 -0.244 4.847 8.871
127 HG2 B3D 15 HG1 B3D 15 -1.375 3.501 8.779
128 HB B3D 15 HB B3D 15 -0.529 3.045 6.377
129 H B3D 15 HN B3D 15 0.964 5.554 6.707
130 HA1 B3D 15 HA1 B3D 15 -1.391 5.896 6.434
131 HA2 B3D 15 HA2 B3D 15 -2.416 4.797 7.349
132 H HIS 16 HN HIS 16 -1.878 6.183 4.449
133 HA HIS 16 HA HIS 16 -3.919 4.813 3.086
134 HB2 HIS 16 HB2 HIS 16 -1.829 6.796 2.238
135 HB3 HIS 16 HB1 HIS 16 -2.903 6.059 1.052
136 HD1 HIS 16 HD1 HIS 16 -3.287 7.888 4.376
137 HD2 HIS 16 HD2 HIS 16 -5.145 7.510 0.679
138 HE1 HIS 16 HE1 HIS 16 -5.237 9.475 4.438
139 HE2 HIS 16 HE2 HIS 16 -6.287 9.302 2.155
140 H LEU 17 HN LEU 17 -0.432 4.343 3.153
141 HA LEU 17 HA LEU 17 -0.421 2.488 0.997
142 HB2 LEU 17 HB2 LEU 17 1.619 3.705 1.387
143 HB3 LEU 17 HB1 LEU 17 1.658 3.199 3.057
144 HG LEU 17 HG LEU 17 2.018 0.838 2.273
145 HD11 LEU 17 HD11 LEU 17 1.153 1.328 -0.072
146 HD12 LEU 17 HD12 LEU 17 2.570 0.288 0.064
147 HD13 LEU 17 HD13 LEU 17 2.758 1.993 -0.405
148 HD21 LEU 17 HD21 LEU 17 4.091 2.842 1.439
149 HD22 LEU 17 HD22 LEU 17 4.364 1.145 1.846
150 HD23 LEU 17 HD23 LEU 17 3.808 2.271 3.087
151 H SER 18 HN SER 18 -0.433 2.221 4.544
152 HA SER 18 HA SER 18 -0.025 -0.535 4.739
153 HB2 SER 18 HB2 SER 18 -0.022 0.963 6.706
154 HB3 SER 18 HB1 SER 18 -1.768 1.169 6.545
155 HG SER 18 HG SER 18 -1.516 -0.429 8.015
156 H B3K 19 HN B3K 19 -3.167 1.210 4.688
157 HB B3K 19 HB B3K 19 -4.313 -1.320 3.687
158 HG2 B3K 19 HG1 B3K 19 -6.536 -0.234 4.557
159 HG3 B3K 19 HG2 B3K 19 -5.551 1.036 5.265
160 HD2 B3K 19 HD1 B3K 19 -4.432 -0.617 6.678
161 HD3 B3K 19 HD2 B3K 19 -5.424 -1.891 5.965
162 HE2 B3K 19 HE1 B3K 19 -7.443 -0.795 6.809
163 HE3 B3K 19 HE2 B3K 19 -6.452 0.478 7.525
164 HF1 B3K 19 HF1 B3K 19 -5.347 -1.179 8.945
165 HF2 B3K 19 HF2 B3K 19 -6.339 -2.450 8.233
166 HNZ1 B3K 19 HZ1 B3K 19 -8.307 -1.359 9.109
167 HNZ2 B3K 19 HZ2 B3K 19 -7.357 -0.137 9.792
168 HA1 B3K 19 HA1 B3K 19 -6.008 0.417 2.552
169 HA2 B3K 19 HA2 B3K 19 -4.664 1.533 2.729
170 HZ3 B3K 19 HZ3 B3K 19 -7.224 -1.726 10.356
171 H HIS 20 HN HIS 20 -2.929 1.407 1.427
172 HA HIS 20 HA HIS 20 -3.268 0.549 -1.163
173 HB2 HIS 20 HB2 HIS 20 -1.810 2.325 -0.508
174 HB3 HIS 20 HB1 HIS 20 -0.747 1.135 0.257
175 HD1 HIS 20 HD1 HIS 20 -1.917 2.248 -3.141
176 HD2 HIS 20 HD2 HIS 20 0.788 -0.377 -1.376
177 HE1 HIS 20 HE1 HIS 20 -0.540 1.269 -5.015
178 H ILE 21 HN ILE 21 -1.403 -0.991 1.405
179 HA ILE 21 HA ILE 21 -0.806 -3.169 -0.377
180 HB ILE 21 HB ILE 21 0.948 -3.805 1.061
181 HG12 ILE 21 HG12 ILE 21 1.366 -1.992 3.037
182 HG13 ILE 21 HG11 ILE 21 -0.390 -2.115 3.069
183 HG21 ILE 21 HG21 ILE 21 0.894 -0.913 0.610
184 HG22 ILE 21 HG22 ILE 21 1.493 -2.187 -0.462
185 HG23 ILE 21 HG23 ILE 21 2.337 -1.828 1.046
186 HD11 ILE 21 HD11 ILE 21 1.545 -4.399 3.376
187 HD12 ILE 21 HD12 ILE 21 -0.215 -4.524 3.410
188 HD13 ILE 21 HD13 ILE 21 0.630 -3.624 4.670
189 H B3K 22 HN B3K 22 -2.914 -2.426 2.149
190 HB B3K 22 HB B3K 22 -3.574 -5.280 2.337
191 HG2 B3K 22 HG1 B3K 22 -4.899 -3.481 4.305
192 HG3 B3K 22 HG2 B3K 22 -3.151 -3.288 4.367
193 HD2 B3K 22 HD1 B3K 22 -2.905 -5.696 4.734
194 HD3 B3K 22 HD2 B3K 22 -4.660 -5.873 4.695
195 HE2 B3K 22 HE1 B3K 22 -4.862 -4.408 6.637
196 HE3 B3K 22 HE2 B3K 22 -3.109 -4.203 6.671
197 HF1 B3K 22 HF1 B3K 22 -2.836 -6.603 7.061
198 HF2 B3K 22 HF2 B3K 22 -4.587 -6.807 7.032
199 HNZ1 B3K 22 HZ1 B3K 22 -3.749 -6.693 9.292
200 HNZ2 B3K 22 HZ2 B3K 22 -4.754 -5.372 8.967
201 HA1 B3K 22 HA1 B3K 22 -5.462 -2.862 2.169
202 HA2 B3K 22 HA2 B3K 22 -5.990 -4.508 2.469
203 HZ3 B3K 22 HZ3 B3K 22 -3.075 -5.170 8.995
204 H THR 23 HN THR 23 -3.766 -2.945 0.053
205 HA THR 23 HA THR 23 -5.571 -3.999 -2.020
206 HB THR 23 HB THR 23 -3.356 -2.047 -2.666
207 HG1 THR 23 HG1 THR 23 -4.566 -1.074 -0.993
208 HG21 THR 23 HG21 THR 23 -6.104 -2.492 -3.854
209 HG22 THR 23 HG22 THR 23 -4.598 -3.150 -4.495
210 HG23 THR 23 HG23 THR 23 -4.856 -1.405 -4.464
211 H HIS 24 HN HIS 24 -2.089 -3.807 -1.234
212 HA HIS 24 HA HIS 24 -1.283 -5.596 -3.234
213 HB2 HIS 24 HB2 HIS 24 -0.087 -4.722 -0.660
214 HB3 HIS 24 HB1 HIS 24 0.652 -6.084 -1.498
215 HD1 HIS 24 HD1 HIS 24 2.320 -5.476 -3.363
216 HD2 HIS 24 HD2 HIS 24 0.013 -2.251 -2.108
217 HE1 HIS 24 HE1 HIS 24 3.133 -3.398 -4.615
218 HN B3Q 25 HN B3Q 25 -2.640 -5.887 -0.275
219 HB B3Q 25 HB B3Q 25 -3.062 -8.777 -0.569
220 HG B3Q 25 HG1 B3Q 25 -3.030 -8.925 1.943
221 HGA B3Q 25 HG2 B3Q 25 -2.496 -7.252 2.017
222 HA B3Q 25 HA1 B3Q 25 -4.650 -7.010 1.206
223 HAA B3Q 25 HA2 B3Q 25 -4.631 -6.597 -0.515
224 H8 B3Q 25 HD1 B3Q 25 -0.609 -8.360 0.392
225 H9 B3Q 25 HD2 B3Q 25 -0.965 -9.687 1.496
226 H11 B3Q 25 HF21 B3Q 25 0.254 -6.440 1.208
227 H12 B3Q 25 HF22 B3Q 25 0.989 -6.361 2.770
228 H ASN 26 HN ASN 26 -6.902 -6.919 -0.276
229 HA ASN 26 HA ASN 26 -7.770 -9.729 -0.210
230 HB2 ASN 26 HB2 ASN 26 -9.301 -7.132 -0.021
231 HB3 ASN 26 HB1 ASN 26 -10.092 -8.697 -0.186
232 HD21 ASN 26 HD21 ASN 26 -8.229 -6.627 1.886
233 HD22 ASN 26 HD22 ASN 26 -8.484 -7.518 3.344
234 H LYS 27 HN LYS 27 -7.918 -6.837 -2.263
235 HA LYS 27 HA LYS 27 -8.872 -8.495 -4.499
236 HB2 LYS 27 HB2 LYS 27 -9.009 -5.527 -3.989
237 HB3 LYS 27 HB1 LYS 27 -9.317 -6.217 -5.575
238 HG2 LYS 27 HG2 LYS 27 -11.158 -7.531 -4.648
239 HG3 LYS 27 HG1 LYS 27 -10.848 -6.837 -3.055
240 HD2 LYS 27 HD2 LYS 27 -11.328 -4.604 -3.938
241 HD3 LYS 27 HD1 LYS 27 -11.636 -5.299 -5.531
242 HE2 LYS 27 HE2 LYS 27 -13.488 -6.600 -4.600
243 HE3 LYS 27 HE1 LYS 27 -13.177 -5.907 -3.009
244 HZ1 LYS 27 HZ1 LYS 27 -13.984 -4.387 -5.431
245 HZ2 LYS 27 HZ2 LYS 27 -13.683 -3.719 -3.906
246 HZ3 LYS 27 HZ3 LYS 27 -14.989 -4.772 -4.125
247 H LYS 28 HN LYS 28 -7.821 -8.488 -6.472
248 HA LYS 28 HA LYS 28 -5.115 -7.320 -6.483
249 HB2 LYS 28 HB2 LYS 28 -6.071 -9.983 -7.529
250 HB3 LYS 28 HB1 LYS 28 -4.556 -9.264 -8.052
251 HG2 LYS 28 HG2 LYS 28 -3.756 -9.261 -5.742
252 HG3 LYS 28 HG1 LYS 28 -5.278 -9.985 -5.218
253 HD2 LYS 28 HD2 LYS 28 -4.825 -11.944 -6.613
254 HD3 LYS 28 HD1 LYS 28 -3.306 -11.219 -7.141
255 HE2 LYS 28 HE2 LYS 28 -2.502 -11.230 -4.829
256 HE3 LYS 28 HE1 LYS 28 -4.020 -11.956 -4.304
257 HZ1 LYS 28 HZ1 LYS 28 -2.072 -13.191 -6.176
258 HZ2 LYS 28 HZ2 LYS 28 -3.528 -13.887 -5.670
259 HZ3 LYS 28 HZ3 LYS 28 -2.288 -13.617 -4.552
260 HN1 NH2 29 HN1 NH2 29 -7.727 -8.446 -8.621
261 HN2 NH2 29 HN2 NH2 29 -7.444 -7.284 -9.867
Start of MODEL 7
1 H1 LYS 1 HT1 LYS 1 8.119 1.243 6.862
2 H2 LYS 1 HT2 LYS 1 8.640 2.660 7.624
3 H3 LYS 1 HT3 LYS 1 9.663 1.315 7.551
4 HA LYS 1 HA LYS 1 10.329 2.997 5.962
5 HB2 LYS 1 HB2 LYS 1 9.218 0.411 4.875
6 HB3 LYS 1 HB1 LYS 1 10.148 1.521 3.882
7 HG2 LYS 1 HG2 LYS 1 12.046 1.295 5.413
8 HG3 LYS 1 HG1 LYS 1 11.110 0.164 6.392
9 HD2 LYS 1 HD2 LYS 1 10.951 -1.358 4.484
10 HD3 LYS 1 HD1 LYS 1 11.874 -0.223 3.498
11 HE2 LYS 1 HE2 LYS 1 13.780 -0.463 5.015
12 HE3 LYS 1 HE1 LYS 1 12.857 -1.599 5.995
13 HZ1 LYS 1 HZ1 LYS 1 14.349 -2.748 4.489
14 HZ2 LYS 1 HZ2 LYS 1 13.630 -1.996 3.155
15 HZ3 LYS 1 HZ3 LYS 1 12.739 -3.086 4.092
16 H TYR 2 HN TYR 2 9.889 4.243 4.123
17 HA TYR 2 HA TYR 2 7.091 5.023 3.862
18 HB2 TYR 2 HB2 TYR 2 9.701 6.282 3.033
19 HB3 TYR 2 HB1 TYR 2 8.158 6.909 2.469
20 HD1 TYR 2 HD1 TYR 2 6.631 8.021 4.009
21 HD2 TYR 2 HD2 TYR 2 10.380 6.520 5.349
22 HE1 TYR 2 HE1 TYR 2 6.415 9.341 6.073
23 HE2 TYR 2 HE2 TYR 2 10.173 7.834 7.417
24 HH TYR 2 HH TYR 2 7.275 9.307 8.379
25 HM1 MAA 3 HM1 MEA 3 4.843 5.715 1.170
26 HM2 MAA 3 HM2 MEA 3 6.006 6.343 2.332
27 HM3 MAA 3 HM3 MEA 3 5.118 4.862 2.686
28 HA MAA 3 HA MEA 3 5.523 4.636 -0.552
29 HB1 MAA 3 HB1 MEA 3 7.390 3.703 -1.932
30 HB2 MAA 3 HB2 MEA 3 8.466 4.052 -0.575
31 HB3 MAA 3 HB3 MEA 3 7.594 5.365 -1.366
32 H CYS 4 HN CYS 4 5.326 2.939 -1.931
33 HA CYS 4 HA CYS 4 4.468 0.526 -0.738
34 HB2 CYS 4 HB2 CYS 4 3.288 1.443 -2.535
35 HB3 CYS 4 HB1 CYS 4 4.749 1.565 -3.501
36 HA PRO 5 HA PRO 5 8.001 -2.014 -1.099
37 HB2 PRO 5 HB2 PRO 5 6.945 -4.187 -0.110
38 HB3 PRO 5 HB1 PRO 5 6.776 -2.672 0.817
39 HG2 PRO 5 HG2 PRO 5 4.787 -3.820 -1.124
40 HG3 PRO 5 HG1 PRO 5 4.555 -3.503 0.622
41 HD2 PRO 5 HD2 PRO 5 3.905 -1.694 -1.245
42 HD3 PRO 5 HD1 PRO 5 4.576 -1.226 0.333
43 H GLU 6 HN GLU 6 5.151 -2.644 -3.033
44 HA GLU 6 HA GLU 6 6.742 -4.565 -4.617
45 HB2 GLU 6 HB2 GLU 6 5.173 -5.888 -3.443
46 HB3 GLU 6 HB1 GLU 6 3.850 -4.813 -3.833
47 HG2 GLU 6 HG2 GLU 6 3.510 -6.658 -5.207
48 HG3 GLU 6 HG1 GLU 6 4.277 -5.481 -6.271
49 H CYS 7 HN CYS 7 4.653 -1.816 -4.693
50 HA CYS 7 HA CYS 7 5.226 -1.602 -7.522
51 HB2 CYS 7 HB2 CYS 7 3.140 -1.187 -8.371
52 HB3 CYS 7 HB1 CYS 7 2.861 -2.529 -7.276
53 HA PRO 8 HA PRO 8 6.664 2.407 -6.102
54 HB2 PRO 8 HB2 PRO 8 6.766 2.876 -9.044
55 HB3 PRO 8 HB1 PRO 8 8.037 3.074 -7.822
56 HG2 PRO 8 HG2 PRO 8 8.090 1.028 -9.486
57 HG3 PRO 8 HG1 PRO 8 8.545 0.831 -7.781
58 HD2 PRO 8 HD2 PRO 8 6.002 0.055 -9.140
59 HD3 PRO 8 HD1 PRO 8 6.921 -0.800 -7.889
60 H LYS 9 HN LYS 9 3.857 2.148 -6.062
61 HA LYS 9 HA LYS 9 2.605 4.186 -7.499
62 HB2 LYS 9 HB2 LYS 9 1.753 2.055 -6.048
63 HB3 LYS 9 HB1 LYS 9 1.257 3.425 -5.082
64 HG2 LYS 9 HG2 LYS 9 0.577 3.067 -7.995
65 HG3 LYS 9 HG1 LYS 9 -0.470 2.587 -6.667
66 HD2 LYS 9 HD2 LYS 9 -1.009 4.760 -6.123
67 HD3 LYS 9 HD1 LYS 9 0.501 5.406 -6.775
68 HE2 LYS 9 HE2 LYS 9 -0.309 4.969 -9.046
69 HE3 LYS 9 HE1 LYS 9 -1.813 4.332 -8.386
70 HZ1 LYS 9 HZ1 LYS 9 -0.825 7.114 -8.060
71 HZ2 LYS 9 HZ2 LYS 9 -2.272 6.504 -7.431
72 HZ3 LYS 9 HZ3 LYS 9 -2.061 6.622 -9.106
73 HA MMO 10 HA MER 10 4.155 5.751 -2.698
74 HCB1 MMO 10 HB1 MER 10 5.481 7.151 -5.014
75 HCB2 MMO 10 HB2 MER 10 6.060 5.612 -4.397
76 HCG1 MMO 10 HG1 MER 10 6.125 6.886 -2.114
77 HCG2 MMO 10 HG2 MER 10 6.206 8.306 -3.160
78 HCD1 MMO 10 HD1 MER 10 8.012 5.940 -3.567
79 HCD2 MMO 10 HD2 MER 10 8.419 7.228 -2.430
80 HH21 MMO 10 HH21 MER 10 9.387 9.134 -6.317
81 HH22 MMO 10 HH22 MER 10 10.990 8.483 -6.224
82 HH11 MMO 10 HH11 MER 10 11.506 6.901 -4.666
83 HC1 MMO 10 HM1 MER 10 3.613 2.963 -4.676
84 HC2 MMO 10 HM2 MER 10 3.700 3.600 -3.031
85 HC3 MMO 10 HM3 MER 10 5.141 3.580 -4.052
86 HE MMO 10 HE MER 10 7.791 8.412 -4.880
87 HH12 MMO 10 HH12 MER 10 10.298 6.335 -3.561
88 H PHE 11 HN PHE 11 3.125 7.296 -1.675
89 HA PHE 11 HA PHE 11 1.598 9.246 -3.251
90 HB2 PHE 11 HB2 PHE 11 0.311 8.258 -0.772
91 HB3 PHE 11 HB1 PHE 11 -0.385 8.510 -2.375
92 HD1 PHE 11 HD1 PHE 11 0.701 6.030 -0.029
93 HD2 PHE 11 HD2 PHE 11 0.333 6.801 -4.203
94 HE1 PHE 11 HE1 PHE 11 0.833 3.656 -0.490
95 HE2 PHE 11 HE2 PHE 11 0.549 4.412 -4.660
96 HZ PHE 11 HZ PHE 11 0.764 2.835 -2.862
97 H NLE 12 HN NLE 12 1.825 8.672 0.268
98 HA NLE 12 HA NLE 12 3.593 10.808 0.817
99 HB2 NLE 12 HB1 NLE 12 0.862 11.569 1.737
100 HB3 NLE 12 HB2 NLE 12 1.244 11.838 0.044
101 HG2 NLE 12 HG1 NLE 12 1.846 13.864 0.895
102 HG3 NLE 12 HG2 NLE 12 3.382 13.015 1.069
103 HD2 NLE 12 HD1 NLE 12 2.838 12.510 3.411
104 HD3 NLE 12 HD2 NLE 12 1.305 13.379 3.234
105 HE1 NLE 12 HE1 NLE 12 2.522 15.427 2.717
106 HE2 NLE 12 HE2 NLE 12 4.054 14.566 2.870
107 HE3 NLE 12 HE3 NLE 12 3.017 14.780 4.281
108 H ARG 13 HN ARG 13 1.583 8.203 1.765
109 HA ARG 13 HA ARG 13 2.644 8.430 4.492
110 HB2 ARG 13 HB2 ARG 13 -0.259 8.223 3.776
111 HB3 ARG 13 HB1 ARG 13 0.329 7.525 5.278
112 HG2 ARG 13 HG2 ARG 13 1.170 9.698 5.977
113 HG3 ARG 13 HG1 ARG 13 0.632 10.407 4.455
114 HD2 ARG 13 HD2 ARG 13 -1.668 9.949 5.001
115 HD3 ARG 13 HD1 ARG 13 -1.188 9.072 6.454
116 HE ARG 13 HE ARG 13 -0.211 11.741 6.490
117 HH11 ARG 13 HH11 ARG 13 -3.148 9.888 7.013
118 HH12 ARG 13 HH12 ARG 13 -3.833 11.061 8.087
119 HH21 ARG 13 HH21 ARG 13 -2.689 12.970 8.587
120 HH22 ARG 13 HH22 ARG 13 -1.126 13.262 7.898
121 H SER 14 HN SER 14 2.915 6.511 5.590
122 HA SER 14 HA SER 14 3.142 4.197 3.850
123 HB2 SER 14 HB2 SER 14 5.079 4.874 5.235
124 HB3 SER 14 HB1 SER 14 4.128 4.586 6.691
125 HG SER 14 HG SER 14 5.372 2.772 6.262
126 HG3 B3D 15 HG2 B3D 15 0.505 4.604 9.000
127 HG2 B3D 15 HG1 B3D 15 -0.584 3.227 9.127
128 HB B3D 15 HB B3D 15 -0.059 2.686 6.636
129 H B3D 15 HN B3D 15 1.401 5.236 6.745
130 HA1 B3D 15 HA1 B3D 15 -1.039 5.536 6.913
131 HA2 B3D 15 HA2 B3D 15 -1.936 4.276 7.750
132 H HIS 16 HN HIS 16 -1.543 5.971 4.942
133 HA HIS 16 HA HIS 16 -3.687 4.819 3.576
134 HB2 HIS 16 HB2 HIS 16 -1.446 6.615 2.669
135 HB3 HIS 16 HB1 HIS 16 -2.706 6.079 1.565
136 HD1 HIS 16 HD1 HIS 16 -4.560 7.684 1.358
137 HD2 HIS 16 HD2 HIS 16 -2.757 7.915 5.095
138 HE1 HIS 16 HE1 HIS 16 -5.750 9.541 2.565
139 HE2 HIS 16 HE2 HIS 16 -4.591 9.715 4.795
140 H LEU 17 HN LEU 17 -0.199 4.235 3.248
141 HA LEU 17 HA LEU 17 -0.463 2.417 1.106
142 HB2 LEU 17 HB2 LEU 17 1.672 3.517 1.426
143 HB3 LEU 17 HB1 LEU 17 1.799 2.863 3.043
144 HG LEU 17 HG LEU 17 1.796 0.547 1.925
145 HD11 LEU 17 HD11 LEU 17 2.751 2.086 -0.477
146 HD12 LEU 17 HD12 LEU 17 1.100 1.477 -0.300
147 HD13 LEU 17 HD13 LEU 17 2.451 0.335 -0.327
148 HD21 LEU 17 HD21 LEU 17 3.717 1.587 3.021
149 HD22 LEU 17 HD22 LEU 17 4.158 2.345 1.486
150 HD23 LEU 17 HD23 LEU 17 4.170 0.586 1.640
151 H SER 18 HN SER 18 -0.321 2.033 4.634
152 HA SER 18 HA SER 18 0.000 -0.726 4.774
153 HB2 SER 18 HB2 SER 18 -1.620 1.080 6.588
154 HB3 SER 18 HB1 SER 18 -1.232 -0.599 6.956
155 HG SER 18 HG SER 18 0.992 0.737 6.246
156 H B3K 19 HN B3K 19 -3.095 1.079 4.775
157 HB B3K 19 HB B3K 19 -4.297 -1.379 3.667
158 HG2 B3K 19 HG1 B3K 19 -6.496 -0.308 4.598
159 HG3 B3K 19 HG2 B3K 19 -5.494 0.922 5.354
160 HD2 B3K 19 HD1 B3K 19 -4.393 -0.793 6.700
161 HD3 B3K 19 HD2 B3K 19 -5.391 -2.032 5.935
162 HE2 B3K 19 HE1 B3K 19 -7.406 -0.944 6.817
163 HE3 B3K 19 HE2 B3K 19 -6.397 0.275 7.599
164 HF1 B3K 19 HF1 B3K 19 -5.326 -1.463 8.941
165 HF2 B3K 19 HF2 B3K 19 -6.325 -2.687 8.158
166 HNZ1 B3K 19 HZ1 B3K 19 -8.290 -1.619 9.073
167 HNZ2 B3K 19 HZ2 B3K 19 -7.332 -0.447 9.827
168 HA1 B3K 19 HA1 B3K 19 -5.956 0.475 2.640
169 HA2 B3K 19 HA2 B3K 19 -4.556 1.518 2.839
170 HZ3 B3K 19 HZ3 B3K 19 -7.222 -2.065 10.307
171 H HIS 20 HN HIS 20 -2.887 1.401 1.470
172 HA HIS 20 HA HIS 20 -3.311 0.610 -1.132
173 HB2 HIS 20 HB2 HIS 20 -1.805 2.352 -0.504
174 HB3 HIS 20 HB1 HIS 20 -0.752 1.146 0.247
175 HD1 HIS 20 HD1 HIS 20 -1.945 2.257 -3.153
176 HD2 HIS 20 HD2 HIS 20 0.762 -0.365 -1.399
177 HE1 HIS 20 HE1 HIS 20 -0.572 1.267 -5.026
178 H ILE 21 HN ILE 21 -1.460 -1.034 1.377
179 HA ILE 21 HA ILE 21 -0.897 -3.163 -0.478
180 HB ILE 21 HB ILE 21 0.876 -3.855 0.907
181 HG12 ILE 21 HG12 ILE 21 1.344 -2.129 2.942
182 HG13 ILE 21 HG11 ILE 21 -0.413 -2.220 2.996
183 HG21 ILE 21 HG21 ILE 21 2.254 -1.829 0.991
184 HG22 ILE 21 HG22 ILE 21 0.803 -0.962 0.489
185 HG23 ILE 21 HG23 ILE 21 1.480 -2.228 -0.543
186 HD11 ILE 21 HD11 ILE 21 0.598 -3.806 4.524
187 HD12 ILE 21 HD12 ILE 21 1.485 -4.548 3.193
188 HD13 ILE 21 HD13 ILE 21 -0.276 -4.645 3.242
189 H B3K 22 HN B3K 22 -2.932 -2.466 2.131
190 HB B3K 22 HB B3K 22 -3.659 -5.309 2.223
191 HG2 B3K 22 HG1 B3K 22 -4.920 -3.631 4.303
192 HG3 B3K 22 HG2 B3K 22 -3.186 -3.343 4.305
193 HD2 B3K 22 HD1 B3K 22 -2.791 -5.743 4.579
194 HD3 B3K 22 HD2 B3K 22 -4.534 -6.019 4.599
195 HE2 B3K 22 HE1 B3K 22 -4.753 -4.661 6.602
196 HE3 B3K 22 HE2 B3K 22 -3.026 -4.301 6.569
197 HF1 B3K 22 HF1 B3K 22 -3.285 -6.010 8.168
198 HF2 B3K 22 HF2 B3K 22 -2.636 -6.796 6.732
199 HNZ1 B3K 22 HZ1 B3K 22 -5.493 -6.781 7.543
200 HNZ2 B3K 22 HZ2 B3K 22 -4.428 -8.084 7.710
201 HA1 B3K 22 HA1 B3K 22 -5.485 -2.837 2.195
202 HA2 B3K 22 HA2 B3K 22 -6.051 -4.479 2.455
203 HZ3 B3K 22 HZ3 B3K 22 -4.862 -7.540 6.168
204 H THR 23 HN THR 23 -3.850 -2.898 0.031
205 HA THR 23 HA THR 23 -5.729 -3.856 -2.023
206 HB THR 23 HB THR 23 -3.498 -1.921 -2.666
207 HG1 THR 23 HG1 THR 23 -4.518 -0.755 -1.132
208 HG21 THR 23 HG21 THR 23 -5.011 -1.222 -4.428
209 HG22 THR 23 HG22 THR 23 -6.271 -2.296 -3.817
210 HG23 THR 23 HG23 THR 23 -4.789 -2.972 -4.497
211 H HIS 24 HN HIS 24 -2.223 -3.754 -1.316
212 HA HIS 24 HA HIS 24 -1.497 -5.486 -3.387
213 HB2 HIS 24 HB2 HIS 24 -0.237 -4.731 -0.814
214 HB3 HIS 24 HB1 HIS 24 0.437 -6.105 -1.685
215 HD1 HIS 24 HD1 HIS 24 1.939 -5.560 -3.736
216 HD2 HIS 24 HD2 HIS 24 0.080 -2.228 -2.079
217 HE1 HIS 24 HE1 HIS 24 2.834 -3.491 -4.930
218 HN B3Q 25 HN B3Q 25 -2.797 -5.866 -0.404
219 HB B3Q 25 HB B3Q 25 -3.346 -8.720 -0.841
220 HG B3Q 25 HG1 B3Q 25 -3.370 -8.941 1.687
221 HGA B3Q 25 HG2 B3Q 25 -2.656 -7.339 1.789
222 HA B3Q 25 HA1 B3Q 25 -4.853 -6.974 1.023
223 HAA B3Q 25 HA2 B3Q 25 -4.834 -6.495 -0.679
224 H8 B3Q 25 HD1 B3Q 25 -1.117 -9.058 0.052
225 H9 B3Q 25 HD2 B3Q 25 -1.303 -9.760 1.658
226 H11 B3Q 25 HF21 B3Q 25 -0.024 -7.103 -0.179
227 H12 B3Q 25 HF22 B3Q 25 0.991 -6.467 1.065
228 H ASN 26 HN ASN 26 -7.133 -6.751 -0.320
229 HA ASN 26 HA ASN 26 -7.980 -9.475 -1.057
230 HB2 ASN 26 HB2 ASN 26 -9.266 -7.702 1.026
231 HB3 ASN 26 HB1 ASN 26 -10.097 -9.067 0.288
232 HD21 ASN 26 HD21 ASN 26 -9.422 -11.158 0.759
233 HD22 ASN 26 HD22 ASN 26 -8.409 -11.512 2.113
234 H LYS 27 HN LYS 27 -9.224 -9.539 -2.811
235 HA LYS 27 HA LYS 27 -10.356 -7.009 -3.816
236 HB2 LYS 27 HB2 LYS 27 -9.289 -9.427 -5.266
237 HB3 LYS 27 HB1 LYS 27 -10.306 -8.236 -6.065
238 HG2 LYS 27 HG2 LYS 27 -8.665 -6.493 -5.544
239 HG3 LYS 27 HG1 LYS 27 -7.640 -7.702 -4.768
240 HD2 LYS 27 HD2 LYS 27 -7.449 -8.905 -6.890
241 HD3 LYS 27 HD1 LYS 27 -8.484 -7.705 -7.666
242 HE2 LYS 27 HE2 LYS 27 -6.833 -5.966 -7.167
243 HE3 LYS 27 HE1 LYS 27 -5.800 -7.169 -6.396
244 HZ1 LYS 27 HZ1 LYS 27 -5.089 -6.715 -8.656
245 HZ2 LYS 27 HZ2 LYS 27 -6.607 -7.157 -9.255
246 HZ3 LYS 27 HZ3 LYS 27 -5.620 -8.315 -8.518
247 H LYS 28 HN LYS 28 -12.455 -6.909 -4.461
248 HA LYS 28 HA LYS 28 -14.158 -9.172 -3.697
249 HB2 LYS 28 HB2 LYS 28 -14.717 -6.227 -4.041
250 HB3 LYS 28 HB1 LYS 28 -16.005 -7.412 -3.878
251 HG2 LYS 28 HG2 LYS 28 -15.135 -8.065 -1.691
252 HG3 LYS 28 HG1 LYS 28 -13.834 -6.884 -1.857
253 HD2 LYS 28 HD2 LYS 28 -15.487 -5.082 -1.966
254 HD3 LYS 28 HD1 LYS 28 -16.787 -6.264 -1.803
255 HE2 LYS 28 HE2 LYS 28 -15.922 -6.910 0.393
256 HE3 LYS 28 HE1 LYS 28 -14.621 -5.732 0.228
257 HZ1 LYS 28 HZ1 LYS 28 -16.428 -4.872 1.578
258 HZ2 LYS 28 HZ2 LYS 28 -17.523 -5.102 0.309
259 HZ3 LYS 28 HZ3 LYS 28 -16.274 -3.971 0.154
260 HN1 NH2 29 HN1 NH2 29 -14.813 -10.458 -5.250
261 HN2 NH2 29 HN2 NH2 29 -15.149 -10.015 -6.885
Start of MODEL 8
1 H1 LYS 1 HT1 LYS 1 6.676 1.586 6.488
2 H2 LYS 1 HT2 LYS 1 7.125 2.978 7.338
3 H3 LYS 1 HT3 LYS 1 8.048 1.567 7.478
4 HA LYS 1 HA LYS 1 9.137 3.176 6.056
5 HB2 LYS 1 HB2 LYS 1 8.095 0.651 4.773
6 HB3 LYS 1 HB1 LYS 1 9.279 1.682 3.984
7 HG2 LYS 1 HG2 LYS 1 10.808 1.361 5.874
8 HG3 LYS 1 HG1 LYS 1 9.622 0.300 6.637
9 HD2 LYS 1 HD2 LYS 1 9.761 -1.230 4.736
10 HD3 LYS 1 HD1 LYS 1 10.933 -0.164 3.958
11 HE2 LYS 1 HE2 LYS 1 12.473 -0.502 5.833
12 HE3 LYS 1 HE1 LYS 1 11.302 -1.574 6.600
13 HZ1 LYS 1 HZ1 LYS 1 12.611 -2.038 3.973
14 HZ2 LYS 1 HZ2 LYS 1 11.490 -3.068 4.709
15 HZ3 LYS 1 HZ3 LYS 1 13.003 -2.818 5.423
16 H TYR 2 HN TYR 2 9.172 4.408 4.148
17 HA TYR 2 HA TYR 2 6.562 5.422 3.362
18 HB2 TYR 2 HB2 TYR 2 9.390 6.378 2.928
19 HB3 TYR 2 HB1 TYR 2 8.026 7.131 2.113
20 HD1 TYR 2 HD1 TYR 2 9.885 6.855 5.196
21 HD2 TYR 2 HD2 TYR 2 6.244 8.247 3.490
22 HE1 TYR 2 HE1 TYR 2 9.506 8.268 7.172
23 HE2 TYR 2 HE2 TYR 2 5.854 9.662 5.461
24 HH TYR 2 HH TYR 2 6.529 9.754 7.825
25 HM1 MAA 3 HM1 MEA 3 4.799 5.383 1.893
26 HM2 MAA 3 HM2 MEA 3 4.859 6.184 0.326
27 HM3 MAA 3 HM3 MEA 3 5.883 6.747 1.643
28 HA MAA 3 HA MEA 3 5.634 4.910 -1.233
29 HB1 MAA 3 HB1 MEA 3 7.788 5.409 -1.883
30 HB2 MAA 3 HB2 MEA 3 7.708 3.657 -2.138
31 HB3 MAA 3 HB3 MEA 3 8.527 4.308 -0.716
32 H CYS 4 HN CYS 4 5.506 3.094 -2.495
33 HA CYS 4 HA CYS 4 4.482 0.785 -1.126
34 HB2 CYS 4 HB2 CYS 4 3.208 1.531 -2.870
35 HB3 CYS 4 HB1 CYS 4 4.608 1.819 -3.900
36 HA PRO 5 HA PRO 5 7.923 -1.820 -1.424
37 HB2 PRO 5 HB2 PRO 5 6.828 -3.962 -0.396
38 HB3 PRO 5 HB1 PRO 5 6.720 -2.426 0.505
39 HG2 PRO 5 HG2 PRO 5 4.667 -3.566 -1.360
40 HG3 PRO 5 HG1 PRO 5 4.476 -3.179 0.372
41 HD2 PRO 5 HD2 PRO 5 3.842 -1.425 -1.556
42 HD3 PRO 5 HD1 PRO 5 4.546 -0.915 -0.004
43 H GLU 6 HN GLU 6 5.088 -2.487 -3.406
44 HA GLU 6 HA GLU 6 6.815 -4.306 -4.979
45 HB2 GLU 6 HB2 GLU 6 3.975 -5.143 -4.957
46 HB3 GLU 6 HB1 GLU 6 5.432 -6.097 -5.112
47 HG2 GLU 6 HG2 GLU 6 5.768 -5.521 -2.601
48 HG3 GLU 6 HG1 GLU 6 4.043 -5.162 -2.652
49 H CYS 7 HN CYS 7 4.527 -1.791 -5.010
50 HA CYS 7 HA CYS 7 4.743 -1.813 -7.888
51 HB2 CYS 7 HB2 CYS 7 2.563 -1.402 -8.471
52 HB3 CYS 7 HB1 CYS 7 2.443 -2.674 -7.272
53 HA PRO 8 HA PRO 8 6.664 2.165 -7.393
54 HB2 PRO 8 HB2 PRO 8 5.357 2.359 -10.094
55 HB3 PRO 8 HB1 PRO 8 6.983 2.873 -9.593
56 HG2 PRO 8 HG2 PRO 8 6.673 0.592 -10.854
57 HG3 PRO 8 HG1 PRO 8 7.784 0.711 -9.472
58 HD2 PRO 8 HD2 PRO 8 5.124 -0.591 -9.624
59 HD3 PRO 8 HD1 PRO 8 6.510 -0.984 -8.594
60 H LYS 9 HN LYS 9 3.851 1.925 -6.333
61 HA LYS 9 HA LYS 9 2.692 4.458 -7.003
62 HB2 LYS 9 HB2 LYS 9 1.701 1.973 -6.301
63 HB3 LYS 9 HB1 LYS 9 1.524 2.891 -4.819
64 HG2 LYS 9 HG2 LYS 9 -0.467 3.446 -5.750
65 HG3 LYS 9 HG1 LYS 9 0.499 4.656 -6.591
66 HD2 LYS 9 HD2 LYS 9 0.761 3.127 -8.488
67 HD3 LYS 9 HD1 LYS 9 -0.216 1.922 -7.648
68 HE2 LYS 9 HE2 LYS 9 -2.114 3.467 -7.644
69 HE3 LYS 9 HE1 LYS 9 -1.135 4.670 -8.484
70 HZ1 LYS 9 HZ1 LYS 9 -0.934 3.149 -10.350
71 HZ2 LYS 9 HZ2 LYS 9 -2.560 3.467 -10.015
72 HZ3 LYS 9 HZ3 LYS 9 -1.873 1.995 -9.544
73 HA MMO 10 HA MER 10 4.704 5.756 -3.193
74 HCB1 MMO 10 HB1 MER 10 6.540 7.429 -3.850
75 HCB2 MMO 10 HB2 MER 10 6.013 7.189 -5.511
76 HCG1 MMO 10 HG1 MER 10 6.732 4.992 -5.563
77 HCG2 MMO 10 HG2 MER 10 6.679 4.834 -3.808
78 HCD1 MMO 10 HD1 MER 10 8.961 4.885 -4.398
79 HCD2 MMO 10 HD2 MER 10 8.591 6.464 -3.709
80 HH21 MMO 10 HH21 MER 10 9.839 7.564 -7.821
81 HH22 MMO 10 HH22 MER 10 11.488 7.637 -7.296
82 HH11 MMO 10 HH11 MER 10 12.087 6.823 -5.252
83 HC1 MMO 10 HM1 MER 10 4.092 6.114 -7.196
84 HC2 MMO 10 HM2 MER 10 3.868 7.539 -6.176
85 HC3 MMO 10 HM3 MER 10 2.515 6.454 -6.477
86 HE MMO 10 HE MER 10 8.263 6.652 -6.471
87 HH12 MMO 10 HH12 MER 10 10.895 6.122 -4.207
88 H PHE 11 HN PHE 11 3.951 6.977 -1.760
89 HA PHE 11 HA PHE 11 3.008 9.667 -2.088
90 HB2 PHE 11 HB2 PHE 11 0.782 8.653 -0.852
91 HB3 PHE 11 HB1 PHE 11 0.865 8.942 -2.588
92 HD1 PHE 11 HD1 PHE 11 0.435 6.463 -0.021
93 HD2 PHE 11 HD2 PHE 11 1.576 7.010 -4.077
94 HE1 PHE 11 HE1 PHE 11 0.100 4.084 -0.448
95 HE2 PHE 11 HE2 PHE 11 1.280 4.634 -4.509
96 HZ PHE 11 HZ PHE 11 0.526 3.151 -2.750
97 H NLE 12 HN NLE 12 3.232 10.699 -0.194
98 HA NLE 12 HA NLE 12 4.666 9.361 1.868
99 HB2 NLE 12 HB1 NLE 12 3.638 12.175 1.878
100 HB3 NLE 12 HB2 NLE 12 4.981 11.644 0.878
101 HG2 NLE 12 HG1 NLE 12 6.295 12.212 2.600
102 HG3 NLE 12 HG2 NLE 12 5.696 10.751 3.387
103 HD2 NLE 12 HD1 NLE 12 3.961 12.002 4.508
104 HD3 NLE 12 HD2 NLE 12 4.418 13.475 3.637
105 HE1 NLE 12 HE1 NLE 12 6.162 11.954 5.569
106 HE2 NLE 12 HE2 NLE 12 5.329 13.472 5.903
107 HE3 NLE 12 HE3 NLE 12 6.618 13.417 4.699
108 H ARG 13 HN ARG 13 2.280 8.090 1.791
109 HA ARG 13 HA ARG 13 1.242 8.629 4.475
110 HB2 ARG 13 HB2 ARG 13 -0.454 8.186 2.001
111 HB3 ARG 13 HB1 ARG 13 -1.068 7.988 3.635
112 HG2 ARG 13 HG2 ARG 13 0.211 10.572 2.866
113 HG3 ARG 13 HG1 ARG 13 -1.435 10.228 2.336
114 HD2 ARG 13 HD2 ARG 13 -2.102 9.856 4.664
115 HD3 ARG 13 HD1 ARG 13 -0.455 10.202 5.191
116 HE ARG 13 HE ARG 13 -1.373 12.377 3.690
117 HH11 ARG 13 HH11 ARG 13 -2.055 10.853 6.781
118 HH12 ARG 13 HH12 ARG 13 -2.602 12.324 7.514
119 HH21 ARG 13 HH21 ARG 13 -2.622 14.267 6.320
120 HH22 ARG 13 HH22 ARG 13 -2.092 14.289 4.671
121 H SER 14 HN SER 14 2.419 6.941 5.256
122 HA SER 14 HA SER 14 2.474 4.390 3.925
123 HB2 SER 14 HB2 SER 14 3.619 5.191 6.604
124 HB3 SER 14 HB1 SER 14 3.985 3.709 5.721
125 HG SER 14 HG SER 14 5.404 4.797 4.640
126 HG3 B3D 15 HG2 B3D 15 -0.163 5.526 8.853
127 HG2 B3D 15 HG1 B3D 15 -1.148 4.138 9.300
128 HB B3D 15 HB B3D 15 -0.521 3.094 6.975
129 H B3D 15 HN B3D 15 0.557 5.782 6.463
130 HA1 B3D 15 HA1 B3D 15 -1.894 5.821 6.904
131 HA2 B3D 15 HA2 B3D 15 -2.642 4.432 7.678
132 H HIS 16 HN HIS 16 -2.132 6.124 4.842
133 HA HIS 16 HA HIS 16 -4.070 4.736 3.378
134 HB2 HIS 16 HB2 HIS 16 -3.162 7.159 3.134
135 HB3 HIS 16 HB1 HIS 16 -1.993 6.433 2.039
136 HD1 HIS 16 HD1 HIS 16 -5.459 7.624 2.232
137 HD2 HIS 16 HD2 HIS 16 -3.196 5.235 -0.304
138 HE1 HIS 16 HE1 HIS 16 -6.793 7.447 0.108
139 HE2 HIS 16 HE2 HIS 16 -5.443 5.926 -1.380
140 H LEU 17 HN LEU 17 -0.524 4.343 3.360
141 HA LEU 17 HA LEU 17 -0.696 2.591 1.114
142 HB2 LEU 17 HB2 LEU 17 1.338 4.103 1.751
143 HB3 LEU 17 HB1 LEU 17 1.793 2.721 2.734
144 HG LEU 17 HG LEU 17 1.107 2.206 -0.112
145 HD11 LEU 17 HD11 LEU 17 3.757 3.324 0.736
146 HD12 LEU 17 HD12 LEU 17 2.547 4.171 -0.228
147 HD13 LEU 17 HD13 LEU 17 3.328 2.725 -0.868
148 HD21 LEU 17 HD21 LEU 17 3.349 1.078 1.511
149 HD22 LEU 17 HD22 LEU 17 2.576 0.402 0.064
150 HD23 LEU 17 HD23 LEU 17 1.694 0.465 1.604
151 H SER 18 HN SER 18 -0.373 2.214 4.570
152 HA SER 18 HA SER 18 0.234 -0.514 4.670
153 HB2 SER 18 HB2 SER 18 0.264 0.984 6.660
154 HB3 SER 18 HB1 SER 18 -1.499 1.024 6.629
155 HG SER 18 HG SER 18 -0.896 -0.550 8.071
156 H B3K 19 HN B3K 19 -2.961 1.096 4.790
157 HB B3K 19 HB B3K 19 -4.080 -1.443 3.791
158 HG2 B3K 19 HG1 B3K 19 -6.277 -0.509 4.830
159 HG3 B3K 19 HG2 B3K 19 -5.340 0.824 5.485
160 HD2 B3K 19 HD1 B3K 19 -4.029 -0.763 6.819
161 HD3 B3K 19 HD2 B3K 19 -5.000 -2.089 6.176
162 HE2 B3K 19 HE1 B3K 19 -7.011 -1.090 7.149
163 HE3 B3K 19 HE2 B3K 19 -6.040 0.233 7.797
164 HF1 B3K 19 HF1 B3K 19 -4.762 -1.362 9.142
165 HF2 B3K 19 HF2 B3K 19 -5.734 -2.684 8.498
166 HNZ1 B3K 19 HZ1 B3K 19 -6.515 -1.997 10.675
167 HNZ2 B3K 19 HZ2 B3K 19 -7.693 -1.690 9.502
168 HA1 B3K 19 HA1 B3K 19 -5.879 0.286 2.817
169 HA2 B3K 19 HA2 B3K 19 -4.560 1.434 2.973
170 HZ3 B3K 19 HZ3 B3K 19 -6.763 -0.419 10.119
171 H HIS 20 HN HIS 20 -2.754 1.281 1.654
172 HA HIS 20 HA HIS 20 -3.301 0.546 -0.996
173 HB2 HIS 20 HB2 HIS 20 -1.832 2.360 -0.433
174 HB3 HIS 20 HB1 HIS 20 -0.722 1.223 0.347
175 HD1 HIS 20 HD1 HIS 20 -1.873 2.346 -3.032
176 HD2 HIS 20 HD2 HIS 20 0.822 -0.318 -1.302
177 HE1 HIS 20 HE1 HIS 20 -0.540 1.346 -4.921
178 H ILE 21 HN ILE 21 -1.314 -1.016 1.467
179 HA ILE 21 HA ILE 21 -0.784 -3.148 -0.391
180 HB ILE 21 HB ILE 21 1.003 -3.851 0.983
181 HG12 ILE 21 HG12 ILE 21 1.537 -2.060 2.946
182 HG13 ILE 21 HG11 ILE 21 -0.219 -2.122 3.041
183 HG21 ILE 21 HG21 ILE 21 2.361 -1.758 0.989
184 HG22 ILE 21 HG22 ILE 21 0.885 -0.970 0.434
185 HG23 ILE 21 HG23 ILE 21 1.612 -2.261 -0.528
186 HD11 ILE 21 HD11 ILE 21 0.809 -3.668 4.603
187 HD12 ILE 21 HD12 ILE 21 1.645 -4.473 3.274
188 HD13 ILE 21 HD13 ILE 21 -0.116 -4.535 3.376
189 H B3K 22 HN B3K 22 -2.774 -2.465 2.252
190 HB B3K 22 HB B3K 22 -3.473 -5.315 2.352
191 HG2 B3K 22 HG1 B3K 22 -4.717 -3.570 4.417
192 HG3 B3K 22 HG2 B3K 22 -2.968 -3.390 4.432
193 HD2 B3K 22 HD1 B3K 22 -2.728 -5.810 4.717
194 HD3 B3K 22 HD2 B3K 22 -4.485 -5.976 4.721
195 HE2 B3K 22 HE1 B3K 22 -4.620 -4.564 6.712
196 HE3 B3K 22 HE2 B3K 22 -2.864 -4.385 6.708
197 HF1 B3K 22 HF1 B3K 22 -2.618 -6.801 7.014
198 HF2 B3K 22 HF2 B3K 22 -4.372 -6.978 7.023
199 HNZ1 B3K 22 HZ1 B3K 22 -4.466 -5.600 9.005
200 HNZ2 B3K 22 HZ2 B3K 22 -2.784 -5.432 8.998
201 HA1 B3K 22 HA1 B3K 22 -5.328 -2.865 2.308
202 HA2 B3K 22 HA2 B3K 22 -5.877 -4.508 2.590
203 HZ3 B3K 22 HZ3 B3K 22 -3.480 -6.950 9.263
204 H THR 23 HN THR 23 -3.728 -2.899 0.137
205 HA THR 23 HA THR 23 -5.592 -3.916 -1.902
206 HB THR 23 HB THR 23 -3.388 -1.952 -2.567
207 HG1 THR 23 HG1 THR 23 -5.913 -1.440 -1.352
208 HG21 THR 23 HG21 THR 23 -6.151 -2.386 -3.722
209 HG22 THR 23 HG22 THR 23 -4.660 -3.049 -4.388
210 HG23 THR 23 HG23 THR 23 -4.906 -1.302 -4.344
211 H HIS 24 HN HIS 24 -2.097 -3.768 -1.189
212 HA HIS 24 HA HIS 24 -1.328 -5.502 -3.248
213 HB2 HIS 24 HB2 HIS 24 -0.112 -4.724 -0.650
214 HB3 HIS 24 HB1 HIS 24 0.606 -6.072 -1.524
215 HD1 HIS 24 HD1 HIS 24 2.333 -5.434 -3.285
216 HD2 HIS 24 HD2 HIS 24 0.005 -2.204 -2.103
217 HE1 HIS 24 HE1 HIS 24 3.175 -3.372 -4.520
218 HN B3Q 25 HN B3Q 25 -2.649 -5.890 -0.270
219 HB B3Q 25 HB B3Q 25 -3.145 -8.751 -0.702
220 HG B3Q 25 HG1 B3Q 25 -3.168 -8.965 1.831
221 HGA B3Q 25 HG2 B3Q 25 -2.472 -7.354 1.925
222 HA B3Q 25 HA1 B3Q 25 -4.684 -7.047 1.168
223 HAA B3Q 25 HA2 B3Q 25 -4.659 -6.538 -0.527
224 H8 B3Q 25 HD1 B3Q 25 -0.914 -9.058 0.194
225 H9 B3Q 25 HD2 B3Q 25 -1.095 -9.766 1.798
226 H11 B3Q 25 HF21 B3Q 25 0.165 -7.096 -0.034
227 H12 B3Q 25 HF22 B3Q 25 1.170 -6.450 1.214
228 H ASN 26 HN ASN 26 -6.937 -6.816 -0.301
229 HA ASN 26 HA ASN 26 -8.894 -7.833 -0.844
230 HB2 ASN 26 HB2 ASN 26 -7.062 -9.965 -1.952
231 HB3 ASN 26 HB1 ASN 26 -8.812 -10.001 -2.136
232 HD21 ASN 26 HD21 ASN 26 -5.863 -8.413 -3.046
233 HD22 ASN 26 HD22 ASN 26 -6.514 -7.516 -4.371
234 H LYS 27 HN LYS 27 -10.406 -8.805 0.322
235 HA LYS 27 HA LYS 27 -9.544 -10.779 2.327
236 HB2 LYS 27 HB2 LYS 27 -11.591 -10.063 3.616
237 HB3 LYS 27 HB1 LYS 27 -10.333 -8.850 3.471
238 HG2 LYS 27 HG2 LYS 27 -11.619 -7.728 1.708
239 HG3 LYS 27 HG1 LYS 27 -12.883 -8.951 1.859
240 HD2 LYS 27 HD2 LYS 27 -13.248 -8.283 4.185
241 HD3 LYS 27 HD1 LYS 27 -11.979 -7.067 4.037
242 HE2 LYS 27 HE2 LYS 27 -13.271 -5.938 2.291
243 HE3 LYS 27 HE1 LYS 27 -14.538 -7.154 2.442
244 HZ1 LYS 27 HZ1 LYS 27 -13.673 -5.285 4.583
245 HZ2 LYS 27 HZ2 LYS 27 -14.890 -6.451 4.727
246 HZ3 LYS 27 HZ3 LYS 27 -15.089 -5.150 3.666
247 H LYS 28 HN LYS 28 -12.199 -9.968 0.112
248 HA LYS 28 HA LYS 28 -13.096 -12.771 0.243
249 HB2 LYS 28 HB2 LYS 28 -14.615 -10.231 -0.336
250 HB3 LYS 28 HB1 LYS 28 -15.258 -11.815 -0.745
251 HG2 LYS 28 HG2 LYS 28 -15.149 -12.469 1.607
252 HG3 LYS 28 HG1 LYS 28 -14.502 -10.879 2.018
253 HD2 LYS 28 HD2 LYS 28 -16.553 -9.830 1.194
254 HD3 LYS 28 HD1 LYS 28 -17.197 -11.416 0.764
255 HE2 LYS 28 HE2 LYS 28 -16.371 -10.691 3.566
256 HE3 LYS 28 HE1 LYS 28 -18.001 -10.423 2.954
257 HZ1 LYS 28 HZ1 LYS 28 -17.838 -12.515 4.147
258 HZ2 LYS 28 HZ2 LYS 28 -16.619 -13.050 3.102
259 HZ3 LYS 28 HZ3 LYS 28 -18.184 -12.795 2.514
260 HN1 NH2 29 HN1 NH2 29 -12.503 -13.935 -1.427
261 HN2 NH2 29 HN2 NH2 29 -12.305 -13.385 -3.052
Start of MODEL 9
1 H1 LYS 1 HT1 LYS 1 9.027 1.090 6.747
2 H2 LYS 1 HT2 LYS 1 9.242 2.559 5.937
3 H3 LYS 1 HT3 LYS 1 8.748 1.187 5.080
4 HA LYS 1 HA LYS 1 6.671 1.128 6.271
5 HB2 LYS 1 HB2 LYS 1 7.843 3.540 7.654
6 HB3 LYS 1 HB1 LYS 1 6.119 3.199 7.657
7 HG2 LYS 1 HG2 LYS 1 6.542 1.058 8.757
8 HG3 LYS 1 HG1 LYS 1 8.273 1.400 8.752
9 HD2 LYS 1 HD2 LYS 1 7.882 3.378 10.142
10 HD3 LYS 1 HD1 LYS 1 6.151 3.031 10.148
11 HE2 LYS 1 HE2 LYS 1 6.585 0.895 11.261
12 HE3 LYS 1 HE1 LYS 1 8.314 1.243 11.254
13 HZ1 LYS 1 HZ1 LYS 1 7.897 3.169 12.652
14 HZ2 LYS 1 HZ2 LYS 1 7.318 1.761 13.390
15 HZ3 LYS 1 HZ3 LYS 1 6.237 2.836 12.658
16 H TYR 2 HN TYR 2 8.348 4.043 5.126
17 HA TYR 2 HA TYR 2 6.037 5.125 3.803
18 HB2 TYR 2 HB2 TYR 2 8.962 5.863 3.815
19 HB3 TYR 2 HB1 TYR 2 7.788 6.717 2.824
20 HD1 TYR 2 HD1 TYR 2 6.114 8.162 3.845
21 HD2 TYR 2 HD2 TYR 2 8.972 6.103 6.230
22 HE1 TYR 2 HE1 TYR 2 5.556 9.610 5.752
23 HE2 TYR 2 HE2 TYR 2 8.422 7.546 8.145
24 HH TYR 2 HH TYR 2 7.455 9.768 8.558
25 HM1 MAA 3 HM1 MEA 3 5.717 6.471 1.994
26 HM2 MAA 3 HM2 MEA 3 4.525 5.174 2.060
27 HM3 MAA 3 HM3 MEA 3 4.894 5.956 0.526
28 HA MAA 3 HA MEA 3 5.821 4.605 -0.863
29 HB1 MAA 3 HB1 MEA 3 8.102 5.113 -1.043
30 HB2 MAA 3 HB2 MEA 3 7.938 3.423 -1.548
31 HB3 MAA 3 HB3 MEA 3 8.571 3.809 0.052
32 H CYS 4 HN CYS 4 5.551 2.893 -2.100
33 HA CYS 4 HA CYS 4 4.521 0.524 -0.877
34 HB2 CYS 4 HB2 CYS 4 3.317 1.428 -2.648
35 HB3 CYS 4 HB1 CYS 4 4.770 1.599 -3.624
36 HA PRO 5 HA PRO 5 7.936 -2.120 -1.240
37 HB2 PRO 5 HB2 PRO 5 6.786 -4.294 -0.346
38 HB3 PRO 5 HB1 PRO 5 6.680 -2.806 0.631
39 HG2 PRO 5 HG2 PRO 5 4.656 -3.806 -1.346
40 HG3 PRO 5 HG1 PRO 5 4.428 -3.527 0.404
41 HD2 PRO 5 HD2 PRO 5 3.859 -1.645 -1.413
42 HD3 PRO 5 HD1 PRO 5 4.554 -1.243 0.175
43 H GLU 6 HN GLU 6 5.118 -2.637 -3.293
44 HA GLU 6 HA GLU 6 6.819 -4.423 -4.924
45 HB2 GLU 6 HB2 GLU 6 3.944 -5.105 -5.042
46 HB3 GLU 6 HB1 GLU 6 5.354 -6.128 -5.189
47 HG2 GLU 6 HG2 GLU 6 5.612 -5.662 -2.634
48 HG3 GLU 6 HG1 GLU 6 3.901 -5.252 -2.747
49 H CYS 7 HN CYS 7 4.643 -1.795 -4.891
50 HA CYS 7 HA CYS 7 5.026 -1.606 -7.751
51 HB2 CYS 7 HB2 CYS 7 2.889 -1.223 -8.465
52 HB3 CYS 7 HB1 CYS 7 2.691 -2.538 -7.321
53 HA PRO 8 HA PRO 8 6.587 2.431 -6.613
54 HB2 PRO 8 HB2 PRO 8 6.282 2.806 -9.560
55 HB3 PRO 8 HB1 PRO 8 7.696 3.086 -8.524
56 HG2 PRO 8 HG2 PRO 8 7.598 0.972 -10.091
57 HG3 PRO 8 HG1 PRO 8 8.257 0.854 -8.446
58 HD2 PRO 8 HD2 PRO 8 5.597 -0.038 -9.467
59 HD3 PRO 8 HD1 PRO 8 6.670 -0.807 -8.283
60 H LYS 9 HN LYS 9 3.764 2.146 -6.265
61 HA LYS 9 HA LYS 9 2.411 4.252 -7.515
62 HB2 LYS 9 HB2 LYS 9 1.536 2.067 -6.386
63 HB3 LYS 9 HB1 LYS 9 1.413 3.127 -4.998
64 HG2 LYS 9 HG2 LYS 9 -0.688 3.395 -5.874
65 HG3 LYS 9 HG1 LYS 9 0.150 4.670 -6.758
66 HD2 LYS 9 HD2 LYS 9 0.467 3.151 -8.651
67 HD3 LYS 9 HD1 LYS 9 -0.361 1.870 -7.764
68 HE2 LYS 9 HE2 LYS 9 -2.393 3.235 -7.698
69 HE3 LYS 9 HE1 LYS 9 -1.563 4.513 -8.584
70 HZ1 LYS 9 HZ1 LYS 9 -1.291 2.993 -10.446
71 HZ2 LYS 9 HZ2 LYS 9 -2.926 3.169 -10.050
72 HZ3 LYS 9 HZ3 LYS 9 -2.093 1.770 -9.594
73 HA MMO 10 HA MER 10 4.387 5.596 -2.809
74 HCB1 MMO 10 HB1 MER 10 5.712 7.253 -4.856
75 HCB2 MMO 10 HB2 MER 10 6.029 5.534 -4.954
76 HCG1 MMO 10 HG1 MER 10 6.485 5.954 -2.343
77 HCG2 MMO 10 HG2 MER 10 7.005 7.489 -3.033
78 HCD1 MMO 10 HD1 MER 10 8.896 6.042 -3.037
79 HCD2 MMO 10 HD2 MER 10 8.335 6.178 -4.702
80 HH21 MMO 10 HH21 MER 10 7.882 1.831 -3.997
81 HH22 MMO 10 HH22 MER 10 9.510 1.589 -4.536
82 HH11 MMO 10 HH11 MER 10 10.908 3.367 -4.826
83 HC1 MMO 10 HM1 MER 10 5.286 3.477 -4.442
84 HC2 MMO 10 HM2 MER 10 3.670 2.895 -4.855
85 HC3 MMO 10 HM3 MER 10 4.013 3.467 -3.219
86 HE MMO 10 HE MER 10 7.133 3.929 -3.573
87 HH12 MMO 10 HH12 MER 10 10.352 4.976 -4.509
88 H PHE 11 HN PHE 11 3.545 7.188 -1.696
89 HA PHE 11 HA PHE 11 2.087 9.288 -3.130
90 HB2 PHE 11 HB2 PHE 11 0.825 8.338 -0.627
91 HB3 PHE 11 HB1 PHE 11 0.092 8.664 -2.198
92 HD1 PHE 11 HD1 PHE 11 0.675 6.922 -4.073
93 HD2 PHE 11 HD2 PHE 11 1.005 6.075 0.093
94 HE1 PHE 11 HE1 PHE 11 0.692 4.536 -4.564
95 HE2 PHE 11 HE2 PHE 11 0.916 3.695 -0.407
96 HZ PHE 11 HZ PHE 11 0.784 2.919 -2.781
97 H NLE 12 HN NLE 12 2.178 8.710 0.348
98 HA NLE 12 HA NLE 12 4.288 10.368 1.098
99 HB2 NLE 12 HB1 NLE 12 1.791 11.915 1.613
100 HB3 NLE 12 HB2 NLE 12 2.432 11.966 -0.021
101 HG2 NLE 12 HG1 NLE 12 3.496 13.781 0.837
102 HG3 NLE 12 HG2 NLE 12 4.679 12.549 1.270
103 HD2 NLE 12 HD1 NLE 12 3.693 12.397 3.518
104 HD3 NLE 12 HD2 NLE 12 2.527 13.657 3.080
105 HE1 NLE 12 HE1 NLE 12 4.411 14.588 4.327
106 HE2 NLE 12 HE2 NLE 12 4.364 15.217 2.680
107 HE3 NLE 12 HE3 NLE 12 5.527 13.964 3.113
108 H ARG 13 HN ARG 13 1.789 8.281 1.686
109 HA ARG 13 HA ARG 13 2.068 8.631 4.602
110 HB2 ARG 13 HB2 ARG 13 -0.403 8.122 2.988
111 HB3 ARG 13 HB1 ARG 13 -0.304 7.567 4.653
112 HG2 ARG 13 HG2 ARG 13 0.164 9.893 5.354
113 HG3 ARG 13 HG1 ARG 13 -0.061 10.407 3.680
114 HD2 ARG 13 HD2 ARG 13 -2.352 9.528 3.732
115 HD3 ARG 13 HD1 ARG 13 -2.121 9.046 5.413
116 HE ARG 13 HE ARG 13 -1.546 11.738 5.320
117 HH11 ARG 13 HH11 ARG 13 -4.363 9.763 4.610
118 HH12 ARG 13 HH12 ARG 13 -5.486 11.018 5.009
119 HH21 ARG 13 HH21 ARG 13 -4.735 13.056 5.703
120 HH22 ARG 13 HH22 ARG 13 -3.036 13.367 5.836
121 H SER 14 HN SER 14 2.474 6.855 5.765
122 HA SER 14 HA SER 14 3.120 4.447 4.268
123 HB2 SER 14 HB2 SER 14 3.649 5.076 7.187
124 HB3 SER 14 HB1 SER 14 4.343 3.749 6.256
125 HG SER 14 HG SER 14 5.002 6.434 6.287
126 HG3 B3D 15 HG2 B3D 15 -0.021 4.826 9.136
127 HG2 B3D 15 HG1 B3D 15 -1.045 3.396 9.172
128 HB B3D 15 HB B3D 15 -0.312 2.894 6.734
129 H B3D 15 HN B3D 15 1.046 5.489 6.952
130 HA1 B3D 15 HA1 B3D 15 -1.383 5.714 6.917
131 HA2 B3D 15 HA2 B3D 15 -2.311 4.440 7.696
132 H HIS 16 HN HIS 16 -1.667 6.088 4.879
133 HA HIS 16 HA HIS 16 -3.724 4.919 3.390
134 HB2 HIS 16 HB2 HIS 16 -2.497 7.222 3.144
135 HB3 HIS 16 HB1 HIS 16 -1.461 6.336 2.031
136 HD1 HIS 16 HD1 HIS 16 -4.725 7.995 2.279
137 HD2 HIS 16 HD2 HIS 16 -2.862 5.299 -0.276
138 HE1 HIS 16 HE1 HIS 16 -6.112 7.990 0.181
139 HE2 HIS 16 HE2 HIS 16 -4.915 6.417 -1.383
140 H LEU 17 HN LEU 17 -0.208 4.322 3.283
141 HA LEU 17 HA LEU 17 -0.402 2.460 1.155
142 HB2 LEU 17 HB2 LEU 17 1.715 3.589 1.471
143 HB3 LEU 17 HB1 LEU 17 1.836 2.988 3.108
144 HG LEU 17 HG LEU 17 1.866 0.637 2.056
145 HD11 LEU 17 HD11 LEU 17 2.543 0.354 -0.177
146 HD12 LEU 17 HD12 LEU 17 2.860 2.095 -0.387
147 HD13 LEU 17 HD13 LEU 17 1.200 1.504 -0.216
148 HD21 LEU 17 HD21 LEU 17 3.759 1.710 3.151
149 HD22 LEU 17 HD22 LEU 17 4.213 2.452 1.612
150 HD23 LEU 17 HD23 LEU 17 4.246 0.694 1.791
151 H SER 18 HN SER 18 -0.293 2.149 4.692
152 HA SER 18 HA SER 18 0.062 -0.598 4.903
153 HB2 SER 18 HB2 SER 18 -1.651 1.174 6.667
154 HB3 SER 18 HB1 SER 18 -1.123 -0.456 7.077
155 HG SER 18 HG SER 18 0.775 1.483 6.353
156 H B3K 19 HN B3K 19 -3.044 1.178 4.747
157 HB B3K 19 HB B3K 19 -4.197 -1.326 3.698
158 HG2 B3K 19 HG1 B3K 19 -6.422 -0.307 4.622
159 HG3 B3K 19 HG2 B3K 19 -5.452 0.947 5.379
160 HD2 B3K 19 HD1 B3K 19 -4.306 -0.752 6.720
161 HD3 B3K 19 HD2 B3K 19 -5.294 -2.004 5.965
162 HE2 B3K 19 HE1 B3K 19 -7.314 -0.958 6.863
163 HE3 B3K 19 HE2 B3K 19 -6.329 0.299 7.616
164 HF1 B3K 19 HF1 B3K 19 -5.200 -1.393 8.973
165 HF2 B3K 19 HF2 B3K 19 -6.181 -2.652 8.222
166 HNZ1 B3K 19 HZ1 B3K 19 -7.215 -0.407 9.867
167 HNZ2 B3K 19 HZ2 B3K 19 -7.068 -2.015 10.371
168 HA1 B3K 19 HA1 B3K 19 -5.898 0.495 2.672
169 HA2 B3K 19 HA2 B3K 19 -4.513 1.559 2.861
170 HZ3 B3K 19 HZ3 B3K 19 -8.158 -1.611 9.143
171 H HIS 20 HN HIS 20 -2.833 1.448 1.499
172 HA HIS 20 HA HIS 20 -3.247 0.667 -1.105
173 HB2 HIS 20 HB2 HIS 20 -1.727 2.400 -0.450
174 HB3 HIS 20 HB1 HIS 20 -0.685 1.177 0.292
175 HD1 HIS 20 HD1 HIS 20 -1.869 2.338 -3.086
176 HD2 HIS 20 HD2 HIS 20 0.814 -0.342 -1.373
177 HE1 HIS 20 HE1 HIS 20 -0.552 1.324 -4.980
178 H ILE 21 HN ILE 21 -1.342 -0.955 1.375
179 HA ILE 21 HA ILE 21 -0.780 -3.091 -0.453
180 HB ILE 21 HB ILE 21 0.921 -3.817 1.023
181 HG12 ILE 21 HG12 ILE 21 1.368 -2.051 3.019
182 HG13 ILE 21 HG11 ILE 21 -0.392 -2.074 3.014
183 HG21 ILE 21 HG21 ILE 21 1.478 -2.189 -0.490
184 HG22 ILE 21 HG22 ILE 21 2.370 -1.921 1.009
185 HG23 ILE 21 HG23 ILE 21 0.965 -0.922 0.626
186 HD11 ILE 21 HD11 ILE 21 0.507 -3.638 4.634
187 HD12 ILE 21 HD12 ILE 21 1.405 -4.462 3.359
188 HD13 ILE 21 HD13 ILE 21 -0.358 -4.490 3.355
189 H B3K 22 HN B3K 22 -2.698 -2.455 2.351
190 HB B3K 22 HB B3K 22 -3.503 -5.268 2.308
191 HG2 B3K 22 HG1 B3K 22 -4.797 -3.820 4.459
192 HG3 B3K 22 HG2 B3K 22 -3.146 -3.222 4.410
193 HD2 B3K 22 HD1 B3K 22 -2.311 -5.512 4.611
194 HD3 B3K 22 HD2 B3K 22 -3.972 -6.102 4.693
195 HE2 B3K 22 HE1 B3K 22 -4.344 -4.800 6.726
196 HE3 B3K 22 HE2 B3K 22 -2.690 -4.191 6.644
197 HF1 B3K 22 HF1 B3K 22 -1.841 -6.478 6.865
198 HF2 B3K 22 HF2 B3K 22 -3.495 -7.079 6.965
199 HNZ1 B3K 22 HZ1 B3K 22 -3.804 -5.792 8.985
200 HNZ2 B3K 22 HZ2 B3K 22 -2.219 -5.213 8.891
201 HA1 B3K 22 HA1 B3K 22 -5.301 -2.783 2.283
202 HA2 B3K 22 HA2 B3K 22 -5.897 -4.403 2.600
203 HZ3 B3K 22 HZ3 B3K 22 -2.502 -6.859 9.153
204 H THR 23 HN THR 23 -3.762 -2.865 0.098
205 HA THR 23 HA THR 23 -5.653 -3.913 -1.892
206 HB THR 23 HB THR 23 -3.476 -1.913 -2.570
207 HG1 THR 23 HG1 THR 23 -4.549 -0.715 -1.127
208 HG21 THR 23 HG21 THR 23 -4.966 -1.306 -4.367
209 HG22 THR 23 HG22 THR 23 -6.218 -2.390 -3.755
210 HG23 THR 23 HG23 THR 23 -4.713 -3.053 -4.394
211 H HIS 24 HN HIS 24 -2.147 -3.734 -1.268
212 HA HIS 24 HA HIS 24 -1.357 -5.374 -3.384
213 HB2 HIS 24 HB2 HIS 24 -0.168 -4.663 -0.769
214 HB3 HIS 24 HB1 HIS 24 0.538 -6.032 -1.624
215 HD1 HIS 24 HD1 HIS 24 2.191 -5.462 -3.506
216 HD2 HIS 24 HD2 HIS 24 0.035 -2.176 -2.153
217 HE1 HIS 24 HE1 HIS 24 3.060 -3.402 -4.732
218 HN B3Q 25 HN B3Q 25 -2.725 -6.079 -0.394
219 HB B3Q 25 HB B3Q 25 -2.377 -8.974 -0.763
220 HG B3Q 25 HG1 B3Q 25 -3.683 -8.937 1.526
221 HGA B3Q 25 HG2 B3Q 25 -3.195 -7.253 1.546
222 HA B3Q 25 HA1 B3Q 25 -4.702 -7.414 -1.425
223 HAA B3Q 25 HA2 B3Q 25 -4.405 -9.119 -1.717
224 H8 B3Q 25 HD1 B3Q 25 -1.323 -9.604 1.337
225 H9 B3Q 25 HD2 B3Q 25 -1.660 -8.694 2.805
226 H11 B3Q 25 HF21 B3Q 25 -0.780 -6.640 3.067
227 H12 B3Q 25 HF22 B3Q 25 0.479 -6.029 2.050
228 H ASN 26 HN ASN 26 -6.272 -6.863 -0.016
229 HA ASN 26 HA ASN 26 -7.201 -8.788 1.972
230 HB2 ASN 26 HB2 ASN 26 -7.409 -5.862 1.609
231 HB3 ASN 26 HB1 ASN 26 -8.804 -6.640 2.352
232 HD21 ASN 26 HD21 ASN 26 -8.620 -7.540 4.371
233 HD22 ASN 26 HD22 ASN 26 -7.248 -7.286 5.392
234 H LYS 27 HN LYS 27 -8.417 -7.065 -0.872
235 HA LYS 27 HA LYS 27 -10.937 -8.557 -0.722
236 HB2 LYS 27 HB2 LYS 27 -10.099 -6.115 -2.270
237 HB3 LYS 27 HB1 LYS 27 -11.565 -6.999 -2.667
238 HG2 LYS 27 HG2 LYS 27 -12.373 -6.626 -0.363
239 HG3 LYS 27 HG1 LYS 27 -10.932 -5.660 -0.044
240 HD2 LYS 27 HD2 LYS 27 -11.576 -4.091 -1.790
241 HD3 LYS 27 HD1 LYS 27 -12.990 -5.075 -2.173
242 HE2 LYS 27 HE2 LYS 27 -13.853 -4.692 0.091
243 HE3 LYS 27 HE1 LYS 27 -12.448 -3.689 0.451
244 HZ1 LYS 27 HZ1 LYS 27 -13.136 -2.169 -1.301
245 HZ2 LYS 27 HZ2 LYS 27 -14.357 -2.342 -0.144
246 HZ3 LYS 27 HZ3 LYS 27 -14.489 -3.129 -1.635
247 H LYS 28 HN LYS 28 -8.205 -7.942 -2.895
248 HA LYS 28 HA LYS 28 -9.054 -10.243 -4.529
249 HB2 LYS 28 HB2 LYS 28 -7.607 -7.716 -5.308
250 HB3 LYS 28 HB1 LYS 28 -7.581 -9.152 -6.322
251 HG2 LYS 28 HG2 LYS 28 -10.021 -9.077 -6.488
252 HG3 LYS 28 HG1 LYS 28 -10.040 -7.629 -5.478
253 HD2 LYS 28 HD2 LYS 28 -8.723 -6.436 -7.155
254 HD3 LYS 28 HD1 LYS 28 -8.673 -7.886 -8.158
255 HE2 LYS 28 HE2 LYS 28 -11.245 -6.571 -7.314
256 HE3 LYS 28 HE1 LYS 28 -10.390 -6.131 -8.791
257 HZ1 LYS 28 HZ1 LYS 28 -11.422 -8.839 -8.130
258 HZ2 LYS 28 HZ2 LYS 28 -10.601 -8.420 -9.548
259 HZ3 LYS 28 HZ3 LYS 28 -12.122 -7.755 -9.224
260 HN1 NH2 29 HN1 NH2 29 -7.869 -11.968 -4.188
261 HN2 NH2 29 HN2 NH2 29 -6.189 -12.005 -3.786
Contact the webmaster for help, if required. Friday, May 3, 2024 10:21:21 PM GMT (wattos1)