Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
630924 | 6hh0 RC | 34309 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 HT1 LYS 1 -10.764 -6.341 -2.299
2 H2 LYS 1 HT2 LYS 1 -11.549 -5.010 -3.045
3 H3 LYS 1 HT3 LYS 1 -11.659 -6.574 -3.742
4 HA LYS 1 HA LYS 1 -12.968 -5.471 -1.385
5 HB2 LYS 1 HB2 LYS 1 -13.879 -5.712 -3.808
6 HB3 LYS 1 HB1 LYS 1 -14.018 -7.420 -3.417
7 HG2 LYS 1 HG2 LYS 1 -15.253 -6.381 -1.281
8 HG3 LYS 1 HG1 LYS 1 -15.599 -5.121 -2.467
9 HD2 LYS 1 HD2 LYS 1 -16.602 -6.725 -3.954
10 HD3 LYS 1 HD1 LYS 1 -16.122 -8.058 -2.903
11 HE2 LYS 1 HE2 LYS 1 -17.560 -7.142 -1.126
12 HE3 LYS 1 HE1 LYS 1 -18.069 -5.858 -2.222
13 HZ1 LYS 1 HZ1 LYS 1 -18.450 -8.746 -2.784
14 HZ2 LYS 1 HZ2 LYS 1 -19.096 -7.442 -3.646
15 HZ3 LYS 1 HZ3 LYS 1 -19.631 -7.764 -2.074
16 H LYS 2 HN LYS 2 -11.583 -8.423 -2.693
17 HA LYS 2 HA LYS 2 -11.979 -9.689 -0.064
18 HB2 LYS 2 HB2 LYS 2 -13.185 -10.507 -2.573
19 HB3 LYS 2 HB1 LYS 2 -12.058 -11.756 -2.047
20 HG2 LYS 2 HG2 LYS 2 -13.390 -11.183 0.271
21 HG3 LYS 2 HG1 LYS 2 -14.650 -10.969 -0.946
22 HD2 LYS 2 HD2 LYS 2 -14.546 -13.174 -1.630
23 HD3 LYS 2 HD1 LYS 2 -12.894 -13.386 -1.044
24 HE2 LYS 2 HE2 LYS 2 -13.649 -13.414 1.236
25 HE3 LYS 2 HE1 LYS 2 -15.290 -12.999 0.744
26 HZ1 LYS 2 HZ1 LYS 2 -14.045 -15.436 -0.325
27 HZ2 LYS 2 HZ2 LYS 2 -15.680 -15.098 -0.052
28 HZ3 LYS 2 HZ3 LYS 2 -14.661 -15.451 1.251
29 H SER 3 HN SER 3 -10.458 -10.406 -3.226
30 HA SER 3 HA SER 3 -8.116 -11.458 -1.854
31 HB2 SER 3 HB2 SER 3 -7.375 -12.071 -4.165
32 HB3 SER 3 HB1 SER 3 -8.937 -12.758 -3.721
33 HG SER 3 HG SER 3 -9.322 -11.912 -5.670
34 H HIS 4 HN HIS 4 -8.830 -8.986 -4.319
35 HA HIS 4 HA HIS 4 -6.259 -7.933 -4.555
36 HB2 HIS 4 HB2 HIS 4 -8.427 -7.457 -5.923
37 HB3 HIS 4 HB1 HIS 4 -8.678 -6.169 -4.746
38 HD1 HIS 4 HD1 HIS 4 -7.408 -4.041 -5.094
39 HD2 HIS 4 HD2 HIS 4 -5.986 -7.147 -7.459
40 HE1 HIS 4 HE1 HIS 4 -5.728 -2.991 -6.642
41 HE2 HIS 4 HE2 HIS 4 -4.804 -4.908 -7.991
42 H THR 5 HN THR 5 -8.503 -7.644 -1.960
43 HA THR 5 HA THR 5 -7.239 -5.243 -0.918
44 HB THR 5 HB THR 5 -9.677 -5.475 -0.729
45 HG1 THR 5 HG1 THR 5 -8.520 -5.650 1.846
46 HG21 THR 5 HG21 THR 5 -9.584 -8.008 -0.359
47 HG22 THR 5 HG22 THR 5 -10.778 -7.072 0.539
48 HG23 THR 5 HG23 THR 5 -9.297 -7.605 1.334
49 H ALA 6 HN ALA 6 -7.412 -8.690 -0.260
50 HA ALA 6 HA ALA 6 -6.169 -8.738 2.243
51 HB1 ALA 6 HB1 ALA 6 -5.440 -10.957 0.478
52 HB2 ALA 6 HB2 ALA 6 -7.171 -10.627 0.545
53 HB3 ALA 6 HB3 ALA 6 -6.280 -10.969 2.028
54 H SER 7 HN SER 7 -4.590 -9.680 -0.796
55 HA SER 7 HA SER 7 -1.944 -9.302 0.199
56 HB2 SER 7 HB2 SER 7 -3.195 -9.967 -2.421
57 HB3 SER 7 HB1 SER 7 -1.557 -9.315 -2.455
58 HG SER 7 HG SER 7 -2.465 -11.610 -1.057
59 H TYR 8 HN TYR 8 -4.161 -6.900 -0.428
60 HA TYR 8 HA TYR 8 -2.349 -5.216 -1.851
61 HB2 TYR 8 HB2 TYR 8 -4.055 -3.868 -2.159
62 HB3 TYR 8 HB1 TYR 8 -5.077 -4.961 -1.217
63 HD1 TYR 8 HD1 TYR 8 -3.759 -4.347 1.536
64 HD2 TYR 8 HD2 TYR 8 -5.072 -1.869 -1.688
65 HE1 TYR 8 HE1 TYR 8 -4.022 -2.429 3.077
66 HE2 TYR 8 HE2 TYR 8 -5.355 0.015 -0.141
67 HH TYR 8 HH TYR 8 -5.667 0.438 2.213
68 H LEU 9 HN LEU 9 -3.022 -5.925 1.509
69 HA LEU 9 HA LEU 9 -1.503 -3.692 2.388
70 HB2 LEU 9 HB2 LEU 9 -2.899 -5.893 3.678
71 HB3 LEU 9 HB1 LEU 9 -1.386 -5.492 4.471
72 HG LEU 9 HG LEU 9 -2.730 -3.044 3.936
73 HD11 LEU 9 HD11 LEU 9 -4.845 -3.268 4.883
74 HD12 LEU 9 HD12 LEU 9 -4.479 -4.846 5.581
75 HD13 LEU 9 HD13 LEU 9 -4.718 -4.685 3.841
76 HD21 LEU 9 HD21 LEU 9 -2.545 -4.392 6.615
77 HD22 LEU 9 HD22 LEU 9 -2.416 -2.677 6.221
78 HD23 LEU 9 HD23 LEU 9 -1.109 -3.782 5.791
79 H ARG 10 HN ARG 10 -0.894 -6.371 0.758
80 HA ARG 10 HA ARG 10 1.724 -6.992 1.733
81 HB2 ARG 10 HB2 ARG 10 0.053 -8.214 -0.443
82 HB3 ARG 10 HB1 ARG 10 1.602 -8.823 0.104
83 HG2 ARG 10 HG2 ARG 10 -0.332 -10.060 1.028
84 HG3 ARG 10 HG1 ARG 10 0.719 -9.367 2.256
85 HD2 ARG 10 HD2 ARG 10 -1.704 -7.784 1.410
86 HD3 ARG 10 HD1 ARG 10 -1.919 -9.201 2.432
87 HE ARG 10 HE ARG 10 -0.929 -6.685 3.213
88 HH11 ARG 10 HH11 ARG 10 -0.544 -10.106 3.794
89 HH12 ARG 10 HH12 ARG 10 0.069 -9.902 5.400
90 HH21 ARG 10 HH21 ARG 10 -0.099 -6.414 5.347
91 HH22 ARG 10 HH22 ARG 10 0.317 -7.810 6.280
92 H LEU 11 HN LEU 11 0.035 -5.534 -0.937
93 HA LEU 11 HA LEU 11 2.458 -4.954 -2.486
94 HB2 LEU 11 HB2 LEU 11 1.049 -4.963 -4.243
95 HB3 LEU 11 HB1 LEU 11 -0.186 -5.528 -3.146
96 HG LEU 11 HG LEU 11 -0.067 -2.593 -3.133
97 HD11 LEU 11 HD11 LEU 11 -0.793 -3.884 -5.754
98 HD12 LEU 11 HD12 LEU 11 0.752 -3.086 -5.461
99 HD13 LEU 11 HD13 LEU 11 -0.749 -2.167 -5.355
100 HD21 LEU 11 HD21 LEU 11 -2.490 -3.096 -3.894
101 HD22 LEU 11 HD22 LEU 11 -1.979 -3.544 -2.263
102 HD23 LEU 11 HD23 LEU 11 -2.076 -4.772 -3.529
103 H TRP 12 HN TRP 12 -0.376 -3.294 -1.465
104 HA TRP 12 HA TRP 12 0.310 -0.718 -1.743
105 HB2 TRP 12 HB2 TRP 12 -1.843 -0.742 -1.336
106 HB3 TRP 12 HB1 TRP 12 -1.746 -2.262 -0.481
107 HD1 TRP 12 HD1 TRP 12 -2.729 1.069 -0.060
108 HE1 TRP 12 HE1 TRP 12 -2.995 1.724 2.439
109 HE3 TRP 12 HE3 TRP 12 -0.151 -2.750 1.956
110 HZ2 TRP 12 HZ2 TRP 12 -2.186 0.656 4.948
111 HZ3 TRP 12 HZ3 TRP 12 0.070 -2.934 4.391
112 HH2 TRP 12 HH2 TRP 12 -0.914 -1.238 5.868
113 H ALA 13 HN ALA 13 1.594 -2.898 0.546
114 HA ALA 13 HA ALA 13 2.201 -0.978 2.590
115 HB1 ALA 13 HB1 ALA 13 2.977 -3.836 2.121
116 HB2 ALA 13 HB2 ALA 13 1.965 -3.161 3.398
117 HB3 ALA 13 HB3 ALA 13 3.706 -2.881 3.412
118 H LEU 14 HN LEU 14 4.037 -2.661 0.058
119 HA LEU 14 HA LEU 14 6.414 -1.115 0.635
120 HB2 LEU 14 HB2 LEU 14 7.493 -2.414 -1.039
121 HB3 LEU 14 HB1 LEU 14 6.480 -3.498 -0.105
122 HG LEU 14 HG LEU 14 4.776 -2.896 -2.111
123 HD11 LEU 14 HD11 LEU 14 6.063 -2.982 -4.221
124 HD12 LEU 14 HD12 LEU 14 7.545 -2.761 -3.292
125 HD13 LEU 14 HD13 LEU 14 6.319 -1.493 -3.312
126 HD21 LEU 14 HD21 LEU 14 6.914 -5.023 -2.140
127 HD22 LEU 14 HD22 LEU 14 5.443 -5.038 -3.113
128 HD23 LEU 14 HD23 LEU 14 5.339 -5.132 -1.355
129 H SER 15 HN SER 15 3.638 -0.753 -1.314
130 HA SER 15 HA SER 15 4.952 1.057 -3.193
131 HB2 SER 15 HB2 SER 15 3.264 -0.639 -3.969
132 HB3 SER 15 HB1 SER 15 2.034 0.268 -3.089
133 HG SER 15 HG SER 15 3.478 0.984 -5.386
134 H LEU 16 HN LEU 16 2.156 1.135 -0.978
135 HA LEU 16 HA LEU 16 1.821 3.947 -1.171
136 HB2 LEU 16 HB2 LEU 16 0.140 2.120 -0.439
137 HB3 LEU 16 HB1 LEU 16 0.853 2.325 1.150
138 HG LEU 16 HG LEU 16 0.295 4.919 0.407
139 HD11 LEU 16 HD11 LEU 16 -1.801 3.077 -0.703
140 HD12 LEU 16 HD12 LEU 16 -0.978 4.417 -1.502
141 HD13 LEU 16 HD13 LEU 16 -2.156 4.738 -0.230
142 HD21 LEU 16 HD21 LEU 16 -0.084 4.092 2.605
143 HD22 LEU 16 HD22 LEU 16 -1.287 2.938 2.031
144 HD23 LEU 16 HD23 LEU 16 -1.634 4.666 1.991
145 H ALA 17 HN ALA 17 4.167 2.144 0.395
146 HA ALA 17 HA ALA 17 4.495 4.096 2.572
147 HB1 ALA 17 HB1 ALA 17 4.752 1.649 3.115
148 HB2 ALA 17 HB2 ALA 17 6.093 2.679 3.601
149 HB3 ALA 17 HB3 ALA 17 6.251 1.665 2.172
150 H HIS 18 HN HIS 18 6.040 3.098 -0.414
151 HA HIS 18 HA HIS 18 8.502 4.371 -0.078
152 HB2 HIS 18 HB2 HIS 18 8.749 4.282 -2.473
153 HB3 HIS 18 HB1 HIS 18 7.968 2.804 -1.929
154 HD1 HIS 18 HD1 HIS 18 6.520 2.150 -3.826
155 HD2 HIS 18 HD2 HIS 18 6.197 6.203 -2.968
156 HE1 HIS 18 HE1 HIS 18 4.719 3.020 -5.349
157 HE2 HIS 18 HE2 HIS 18 4.501 5.462 -4.771
158 H ALA 19 HN ALA 19 5.383 5.729 -0.506
159 HA ALA 19 HA ALA 19 6.402 8.280 -1.465
160 HB1 ALA 19 HB1 ALA 19 3.660 8.438 -0.705
161 HB2 ALA 19 HB2 ALA 19 3.916 6.940 -1.600
162 HB3 ALA 19 HB3 ALA 19 4.367 8.485 -2.320
163 H GLN 20 HN GLN 20 5.340 6.782 1.500
164 HA GLN 20 HA GLN 20 5.004 9.212 2.968
165 HB2 GLN 20 HB2 GLN 20 4.899 6.322 3.536
166 HB3 GLN 20 HB1 GLN 20 5.411 7.322 4.888
167 HG2 GLN 20 HG2 GLN 20 3.394 8.464 4.973
168 HG3 GLN 20 HG1 GLN 20 2.957 8.011 3.326
169 HE21 GLN 20 HE21 GLN 20 2.813 5.548 3.037
170 HE22 GLN 20 HE22 GLN 20 1.928 4.706 4.260
171 H LEU 21 HN LEU 21 7.522 6.684 3.008
172 HA LEU 21 HA LEU 21 9.236 7.954 4.808
173 HB2 LEU 21 HB2 LEU 21 11.018 6.528 3.797
174 HB3 LEU 21 HB1 LEU 21 9.587 5.657 4.314
175 HG LEU 21 HG LEU 21 8.933 6.058 1.740
176 HD11 LEU 21 HD11 LEU 21 10.899 5.721 0.336
177 HD12 LEU 21 HD12 LEU 21 11.940 5.848 1.754
178 HD13 LEU 21 HD13 LEU 21 11.000 7.242 1.223
179 HD21 LEU 21 HD21 LEU 21 10.698 3.787 1.870
180 HD22 LEU 21 HD22 LEU 21 8.938 3.836 1.781
181 HD23 LEU 21 HD23 LEU 21 9.744 3.919 3.347
182 H SER 22 HN SER 22 8.556 8.687 1.523
183 HA SER 22 HA SER 22 11.032 10.129 1.092
184 HB2 SER 22 HB2 SER 22 9.403 8.882 -0.643
185 HB3 SER 22 HB1 SER 22 8.731 10.509 -0.749
186 HG SER 22 HG SER 22 10.525 11.211 -1.657
187 H SER 23 HN SER 23 7.658 10.826 1.795
188 HA SER 23 HA SER 23 6.817 12.649 2.947
189 HB2 SER 23 HB2 SER 23 9.176 14.343 2.152
190 HB3 SER 23 HB1 SER 23 8.090 14.537 3.527
191 HG SER 23 HG SER 23 10.299 13.608 3.880
192 H LYS 24 HN LYS 24 6.510 11.822 0.243
193 HA LYS 24 HA LYS 24 5.532 12.458 -1.682
194 HB2 LYS 24 HB2 LYS 24 4.268 13.849 0.310
195 HB3 LYS 24 HB1 LYS 24 4.738 15.141 -0.785
196 HG2 LYS 24 HG2 LYS 24 2.603 14.534 -1.486
197 HG3 LYS 24 HG1 LYS 24 3.679 13.726 -2.628
198 HD2 LYS 24 HD2 LYS 24 3.410 11.877 -0.601
199 HD3 LYS 24 HD1 LYS 24 1.802 12.597 -0.704
200 HE2 LYS 24 HE2 LYS 24 2.544 12.204 -3.348
201 HE3 LYS 24 HE1 LYS 24 3.140 10.769 -2.514
202 HZ1 LYS 24 HZ1 LYS 24 0.690 11.007 -1.473
203 HZ2 LYS 24 HZ2 LYS 24 1.052 10.055 -2.823
204 HZ3 LYS 24 HZ3 LYS 24 0.420 11.610 -3.031
205 H LYS 25 HN LYS 25 8.154 12.765 -1.840
206 HA LYS 25 HA LYS 25 8.450 15.206 -3.436
207 HB2 LYS 25 HB2 LYS 25 9.901 14.541 -0.988
208 HB3 LYS 25 HB1 LYS 25 10.970 14.865 -2.346
209 HG2 LYS 25 HG2 LYS 25 8.787 16.795 -2.021
210 HG3 LYS 25 HG1 LYS 25 9.949 16.752 -0.693
211 HD2 LYS 25 HD2 LYS 25 10.854 18.325 -2.155
212 HD3 LYS 25 HD1 LYS 25 11.739 16.848 -2.543
213 HE2 LYS 25 HE2 LYS 25 9.974 16.471 -4.347
214 HE3 LYS 25 HE1 LYS 25 9.503 18.147 -4.073
215 HZ1 LYS 25 HZ1 LYS 25 11.411 17.339 -5.795
216 HZ2 LYS 25 HZ2 LYS 25 12.336 17.772 -4.447
217 HZ3 LYS 25 HZ3 LYS 25 11.291 18.899 -5.153
Start of MODEL 2
1 H1 LYS 1 HT1 LYS 1 -9.662 -6.453 -3.971
2 H2 LYS 1 HT2 LYS 1 -10.663 -5.620 -5.089
3 H3 LYS 1 HT3 LYS 1 -10.309 -7.283 -5.323
4 HA LYS 1 HA LYS 1 -11.728 -6.235 -2.976
5 HB2 LYS 1 HB2 LYS 1 -12.689 -7.076 -5.694
6 HB3 LYS 1 HB1 LYS 1 -13.714 -7.302 -4.283
7 HG2 LYS 1 HG2 LYS 1 -13.898 -5.008 -3.900
8 HG3 LYS 1 HG1 LYS 1 -12.508 -4.635 -4.920
9 HD2 LYS 1 HD2 LYS 1 -13.947 -4.229 -6.572
10 HD3 LYS 1 HD1 LYS 1 -14.287 -5.960 -6.605
11 HE2 LYS 1 HE2 LYS 1 -16.163 -5.717 -5.193
12 HE3 LYS 1 HE1 LYS 1 -15.708 -4.074 -4.744
13 HZ1 LYS 1 HZ1 LYS 1 -16.284 -4.702 -7.559
14 HZ2 LYS 1 HZ2 LYS 1 -16.439 -3.232 -6.737
15 HZ3 LYS 1 HZ3 LYS 1 -17.567 -4.466 -6.481
16 H LYS 2 HN LYS 2 -12.409 -7.809 -1.589
17 HA LYS 2 HA LYS 2 -12.555 -9.866 -0.559
18 HB2 LYS 2 HB2 LYS 2 -13.057 -10.400 -3.331
19 HB3 LYS 2 HB1 LYS 2 -11.965 -11.661 -2.760
20 HG2 LYS 2 HG2 LYS 2 -14.430 -10.945 -1.212
21 HG3 LYS 2 HG1 LYS 2 -14.499 -12.044 -2.591
22 HD2 LYS 2 HD2 LYS 2 -12.370 -13.016 -1.155
23 HD3 LYS 2 HD1 LYS 2 -13.476 -12.480 0.112
24 HE2 LYS 2 HE2 LYS 2 -14.042 -14.726 -0.321
25 HE3 LYS 2 HE1 LYS 2 -15.283 -13.759 -1.116
26 HZ1 LYS 2 HZ1 LYS 2 -14.488 -14.276 -3.188
27 HZ2 LYS 2 HZ2 LYS 2 -14.163 -15.718 -2.366
28 HZ3 LYS 2 HZ3 LYS 2 -12.920 -14.605 -2.644
29 H SER 3 HN SER 3 -10.239 -10.592 -3.181
30 HA SER 3 HA SER 3 -8.297 -11.398 -1.134
31 HB2 SER 3 HB2 SER 3 -9.101 -12.591 -3.534
32 HB3 SER 3 HB1 SER 3 -7.488 -11.958 -3.863
33 HG SER 3 HG SER 3 -8.280 -14.012 -2.208
34 H HIS 4 HN HIS 4 -8.446 -9.558 -4.183
35 HA HIS 4 HA HIS 4 -5.857 -8.546 -4.171
36 HB2 HIS 4 HB2 HIS 4 -7.851 -8.352 -5.908
37 HB3 HIS 4 HB1 HIS 4 -8.078 -6.793 -5.122
38 HD1 HIS 4 HD1 HIS 4 -6.746 -4.939 -6.073
39 HD2 HIS 4 HD2 HIS 4 -5.048 -8.642 -6.892
40 HE1 HIS 4 HE1 HIS 4 -4.767 -4.460 -7.549
41 HE2 HIS 4 HE2 HIS 4 -3.696 -6.705 -7.944
42 H THR 5 HN THR 5 -8.485 -7.770 -2.098
43 HA THR 5 HA THR 5 -7.362 -5.197 -1.342
44 HB THR 5 HB THR 5 -9.789 -5.369 -1.520
45 HG1 THR 5 HG1 THR 5 -10.164 -4.262 0.274
46 HG21 THR 5 HG21 THR 5 -11.081 -6.652 0.131
47 HG22 THR 5 HG22 THR 5 -9.589 -7.428 0.662
48 HG23 THR 5 HG23 THR 5 -10.176 -7.679 -0.982
49 H ALA 6 HN ALA 6 -7.858 -8.426 0.013
50 HA ALA 6 HA ALA 6 -6.969 -7.932 2.617
51 HB1 ALA 6 HB1 ALA 6 -6.826 -10.431 0.939
52 HB2 ALA 6 HB2 ALA 6 -8.060 -9.997 2.123
53 HB3 ALA 6 HB3 ALA 6 -6.422 -10.377 2.655
54 H SER 7 HN SER 7 -5.091 -9.556 0.068
55 HA SER 7 HA SER 7 -2.570 -9.134 1.346
56 HB2 SER 7 HB2 SER 7 -3.545 -10.634 -0.840
57 HB3 SER 7 HB1 SER 7 -2.318 -9.552 -1.500
58 HG SER 7 HG SER 7 -0.827 -10.399 -0.112
59 H TYR 8 HN TYR 8 -4.520 -6.806 0.008
60 HA TYR 8 HA TYR 8 -2.453 -5.484 -1.443
61 HB2 TYR 8 HB2 TYR 8 -4.037 -4.163 -2.200
62 HB3 TYR 8 HB1 TYR 8 -5.220 -5.012 -1.198
63 HD1 TYR 8 HD1 TYR 8 -4.996 -2.072 -2.231
64 HD2 TYR 8 HD2 TYR 8 -4.156 -3.925 1.528
65 HE1 TYR 8 HE1 TYR 8 -5.344 0.080 -1.107
66 HE2 TYR 8 HE2 TYR 8 -4.484 -1.737 2.641
67 HH TYR 8 HH TYR 8 -5.912 0.447 2.033
68 H LEU 9 HN LEU 9 -3.576 -5.533 1.875
69 HA LEU 9 HA LEU 9 -2.031 -3.250 2.553
70 HB2 LEU 9 HB2 LEU 9 -3.603 -5.233 4.048
71 HB3 LEU 9 HB1 LEU 9 -2.242 -4.554 4.921
72 HG LEU 9 HG LEU 9 -3.446 -2.317 3.821
73 HD11 LEU 9 HD11 LEU 9 -5.760 -2.454 4.097
74 HD12 LEU 9 HD12 LEU 9 -5.664 -3.956 5.016
75 HD13 LEU 9 HD13 LEU 9 -5.353 -3.963 3.280
76 HD21 LEU 9 HD21 LEU 9 -4.502 -2.550 6.381
77 HD22 LEU 9 HD22 LEU 9 -2.952 -1.833 5.946
78 HD23 LEU 9 HD23 LEU 9 -3.033 -3.525 6.434
79 H ARG 10 HN ARG 10 -1.392 -6.201 1.493
80 HA ARG 10 HA ARG 10 1.051 -6.730 2.884
81 HB2 ARG 10 HB2 ARG 10 -0.416 -8.265 0.759
82 HB3 ARG 10 HB1 ARG 10 1.015 -8.820 1.602
83 HG2 ARG 10 HG2 ARG 10 -1.095 -9.796 2.460
84 HG3 ARG 10 HG1 ARG 10 -0.153 -8.947 3.678
85 HD2 ARG 10 HD2 ARG 10 -2.358 -7.434 2.276
86 HD3 ARG 10 HD1 ARG 10 -2.775 -8.637 3.493
87 HE ARG 10 HE ARG 10 -1.755 -6.065 3.951
88 HH11 ARG 10 HH11 ARG 10 -1.527 -9.345 5.130
89 HH12 ARG 10 HH12 ARG 10 -1.080 -8.878 6.736
90 HH21 ARG 10 HH21 ARG 10 -1.150 -5.449 6.084
91 HH22 ARG 10 HH22 ARG 10 -0.870 -6.670 7.277
92 H LEU 11 HN LEU 11 -0.224 -5.747 -0.204
93 HA LEU 11 HA LEU 11 2.387 -5.550 -1.517
94 HB2 LEU 11 HB2 LEU 11 1.184 -5.819 -3.403
95 HB3 LEU 11 HB1 LEU 11 -0.200 -6.120 -2.381
96 HG LEU 11 HG LEU 11 0.113 -3.237 -2.871
97 HD11 LEU 11 HD11 LEU 11 -0.382 -3.249 -5.219
98 HD12 LEU 11 HD12 LEU 11 -0.319 -5.011 -5.273
99 HD13 LEU 11 HD13 LEU 11 1.149 -4.085 -4.955
100 HD21 LEU 11 HD21 LEU 11 -1.984 -5.355 -3.119
101 HD22 LEU 11 HD22 LEU 11 -2.239 -3.754 -3.812
102 HD23 LEU 11 HD23 LEU 11 -1.940 -3.928 -2.080
103 H TRP 12 HN TRP 12 -0.430 -3.613 -1.144
104 HA TRP 12 HA TRP 12 0.420 -1.166 -1.809
105 HB2 TRP 12 HB2 TRP 12 -1.760 -1.034 -1.627
106 HB3 TRP 12 HB1 TRP 12 -1.827 -2.375 -0.510
107 HD1 TRP 12 HD1 TRP 12 -2.651 1.014 -0.800
108 HE1 TRP 12 HE1 TRP 12 -3.138 2.125 1.495
109 HE3 TRP 12 HE3 TRP 12 -0.547 -2.481 2.141
110 HZ2 TRP 12 HZ2 TRP 12 -2.667 1.499 4.229
111 HZ3 TRP 12 HZ3 TRP 12 -0.599 -2.227 4.579
112 HH2 TRP 12 HH2 TRP 12 -1.624 -0.250 5.610
113 H ALA 13 HN ALA 13 1.328 -2.912 0.989
114 HA ALA 13 HA ALA 13 1.842 -0.673 2.696
115 HB1 ALA 13 HB1 ALA 13 2.638 -3.567 2.819
116 HB2 ALA 13 HB2 ALA 13 1.426 -2.728 3.787
117 HB3 ALA 13 HB3 ALA 13 3.139 -2.385 4.027
118 H LEU 14 HN LEU 14 3.914 -2.882 0.822
119 HA LEU 14 HA LEU 14 6.228 -1.202 1.287
120 HB2 LEU 14 HB2 LEU 14 5.779 -3.902 0.587
121 HB3 LEU 14 HB1 LEU 14 6.665 -3.182 -0.744
122 HG LEU 14 HG LEU 14 8.245 -2.292 1.139
123 HD11 LEU 14 HD11 LEU 14 7.290 -2.839 3.140
124 HD12 LEU 14 HD12 LEU 14 8.309 -4.256 2.891
125 HD13 LEU 14 HD13 LEU 14 6.586 -4.334 2.524
126 HD21 LEU 14 HD21 LEU 14 9.630 -4.240 0.889
127 HD22 LEU 14 HD22 LEU 14 8.803 -3.932 -0.638
128 HD23 LEU 14 HD23 LEU 14 8.239 -5.220 0.425
129 H SER 15 HN SER 15 3.715 -1.320 -0.992
130 HA SER 15 HA SER 15 5.300 -0.093 -3.114
131 HB2 SER 15 HB2 SER 15 3.313 -1.916 -3.270
132 HB3 SER 15 HB1 SER 15 2.379 -0.433 -3.466
133 HG SER 15 HG SER 15 3.290 -1.434 -5.432
134 H LEU 16 HN LEU 16 2.330 0.599 -1.271
135 HA LEU 16 HA LEU 16 2.144 3.273 -2.249
136 HB2 LEU 16 HB2 LEU 16 0.319 1.662 -1.263
137 HB3 LEU 16 HB1 LEU 16 0.784 2.404 0.257
138 HG LEU 16 HG LEU 16 0.406 4.627 -1.196
139 HD11 LEU 16 HD11 LEU 16 -1.606 2.684 -2.314
140 HD12 LEU 16 HD12 LEU 16 -0.212 3.303 -3.199
141 HD13 LEU 16 HD13 LEU 16 -1.479 4.407 -2.665
142 HD21 LEU 16 HD21 LEU 16 -0.655 3.814 0.982
143 HD22 LEU 16 HD22 LEU 16 -1.956 3.189 -0.031
144 HD23 LEU 16 HD23 LEU 16 -1.597 4.916 -0.022
145 H ALA 17 HN ALA 17 4.198 1.898 -0.017
146 HA ALA 17 HA ALA 17 4.318 4.306 1.668
147 HB1 ALA 17 HB1 ALA 17 5.724 3.170 3.199
148 HB2 ALA 17 HB2 ALA 17 6.040 1.853 2.076
149 HB3 ALA 17 HB3 ALA 17 4.431 2.047 2.790
150 H HIS 18 HN HIS 18 6.154 2.650 -0.803
151 HA HIS 18 HA HIS 18 8.594 4.005 -0.451
152 HB2 HIS 18 HB2 HIS 18 9.160 3.282 -2.696
153 HB3 HIS 18 HB1 HIS 18 8.362 1.977 -1.830
154 HD1 HIS 18 HD1 HIS 18 7.345 0.728 -3.736
155 HD2 HIS 18 HD2 HIS 18 6.465 4.787 -3.874
156 HE1 HIS 18 HE1 HIS 18 5.681 0.993 -5.601
157 HE2 HIS 18 HE2 HIS 18 5.119 3.448 -5.626
158 H ALA 19 HN ALA 19 5.590 5.163 -1.547
159 HA ALA 19 HA ALA 19 6.653 7.248 -3.237
160 HB1 ALA 19 HB1 ALA 19 4.419 7.901 -3.607
161 HB2 ALA 19 HB2 ALA 19 3.858 7.100 -2.139
162 HB3 ALA 19 HB3 ALA 19 4.390 6.139 -3.519
163 H GLN 20 HN GLN 20 5.404 6.947 0.048
164 HA GLN 20 HA GLN 20 5.480 9.746 0.603
165 HB2 GLN 20 HB2 GLN 20 4.997 7.262 2.160
166 HB3 GLN 20 HB1 GLN 20 5.482 8.693 3.059
167 HG2 GLN 20 HG2 GLN 20 3.393 9.402 3.015
168 HG3 GLN 20 HG1 GLN 20 3.485 9.514 1.257
169 HE21 GLN 20 HE21 GLN 20 3.286 7.259 0.190
170 HE22 GLN 20 HE22 GLN 20 1.966 6.298 0.755
171 H LEU 21 HN LEU 21 7.935 7.496 0.233
172 HA LEU 21 HA LEU 21 9.701 8.452 2.280
173 HB2 LEU 21 HB2 LEU 21 10.215 6.786 -0.183
174 HB3 LEU 21 HB1 LEU 21 11.419 7.133 1.044
175 HG LEU 21 HG LEU 21 8.891 5.526 1.402
176 HD11 LEU 21 HD11 LEU 21 10.276 3.650 1.631
177 HD12 LEU 21 HD12 LEU 21 11.729 4.635 1.801
178 HD13 LEU 21 HD13 LEU 21 10.920 4.519 0.238
179 HD21 LEU 21 HD21 LEU 21 10.602 6.894 3.340
180 HD22 LEU 21 HD22 LEU 21 10.374 5.176 3.669
181 HD23 LEU 21 HD23 LEU 21 8.974 6.239 3.522
182 H SER 22 HN SER 22 9.417 8.925 -1.224
183 HA SER 22 HA SER 22 11.476 10.999 -1.123
184 HB2 SER 22 HB2 SER 22 10.503 9.159 -3.141
185 HB3 SER 22 HB1 SER 22 10.510 10.814 -3.748
186 HG SER 22 HG SER 22 12.520 9.843 -4.099
187 H SER 23 HN SER 23 8.783 11.353 0.056
188 HA SER 23 HA SER 23 7.871 13.619 -1.592
189 HB2 SER 23 HB2 SER 23 6.396 11.467 -0.248
190 HB3 SER 23 HB1 SER 23 5.757 13.077 0.080
191 HG SER 23 HG SER 23 4.837 12.839 -1.794
192 H LYS 24 HN LYS 24 9.370 12.770 1.289
193 HA LYS 24 HA LYS 24 9.748 13.809 3.282
194 HB2 LYS 24 HB2 LYS 24 10.453 16.114 3.087
195 HB3 LYS 24 HB1 LYS 24 11.001 15.215 1.680
196 HG2 LYS 24 HG2 LYS 24 9.492 16.258 0.265
197 HG3 LYS 24 HG1 LYS 24 8.442 16.757 1.592
198 HD2 LYS 24 HD2 LYS 24 11.130 17.845 1.824
199 HD3 LYS 24 HD1 LYS 24 10.334 18.323 0.323
200 HE2 LYS 24 HE2 LYS 24 8.834 19.622 1.384
201 HE3 LYS 24 HE1 LYS 24 8.649 18.488 2.722
202 HZ1 LYS 24 HZ1 LYS 24 10.252 19.498 3.918
203 HZ2 LYS 24 HZ2 LYS 24 9.840 20.838 2.971
204 HZ3 LYS 24 HZ3 LYS 24 11.188 19.900 2.567
205 H LYS 25 HN LYS 25 7.009 13.242 2.879
206 HA LYS 25 HA LYS 25 4.955 13.701 3.735
207 HB2 LYS 25 HB2 LYS 25 6.780 14.311 5.696
208 HB3 LYS 25 HB1 LYS 25 5.833 15.789 5.598
209 HG2 LYS 25 HG2 LYS 25 3.993 14.830 6.471
210 HG3 LYS 25 HG1 LYS 25 4.286 13.285 5.670
211 HD2 LYS 25 HD2 LYS 25 5.538 12.478 7.385
212 HD3 LYS 25 HD1 LYS 25 6.187 14.066 7.800
213 HE2 LYS 25 HE2 LYS 25 3.656 14.489 8.486
214 HE3 LYS 25 HE1 LYS 25 3.684 12.738 8.685
215 HZ1 LYS 25 HZ1 LYS 25 5.124 12.864 10.420
216 HZ2 LYS 25 HZ2 LYS 25 4.354 14.356 10.626
217 HZ3 LYS 25 HZ3 LYS 25 5.866 14.283 9.872
Start of MODEL 3
1 H1 LYS 1 HT1 LYS 1 -13.859 -8.199 1.252
2 H2 LYS 1 HT2 LYS 1 -12.587 -7.630 0.251
3 H3 LYS 1 HT3 LYS 1 -12.790 -9.314 0.510
4 HA LYS 1 HA LYS 1 -15.054 -9.022 -0.490
5 HB2 LYS 1 HB2 LYS 1 -13.672 -6.438 -1.211
6 HB3 LYS 1 HB1 LYS 1 -15.021 -7.074 -2.142
7 HG2 LYS 1 HG2 LYS 1 -15.339 -6.752 0.798
8 HG3 LYS 1 HG1 LYS 1 -15.398 -5.321 -0.233
9 HD2 LYS 1 HD2 LYS 1 -17.429 -5.843 -1.019
10 HD3 LYS 1 HD1 LYS 1 -16.993 -7.536 -1.260
11 HE2 LYS 1 HE2 LYS 1 -17.691 -6.314 1.406
12 HE3 LYS 1 HE1 LYS 1 -18.829 -7.189 0.382
13 HZ1 LYS 1 HZ1 LYS 1 -16.349 -8.574 0.974
14 HZ2 LYS 1 HZ2 LYS 1 -17.934 -9.163 0.927
15 HZ3 LYS 1 HZ3 LYS 1 -17.379 -8.337 2.295
16 H LYS 2 HN LYS 2 -12.337 -7.572 -2.260
17 HA LYS 2 HA LYS 2 -12.331 -9.938 -4.025
18 HB2 LYS 2 HB2 LYS 2 -12.231 -7.088 -4.525
19 HB3 LYS 2 HB1 LYS 2 -10.733 -7.811 -5.112
20 HG2 LYS 2 HG2 LYS 2 -12.065 -9.428 -6.420
21 HG3 LYS 2 HG1 LYS 2 -13.536 -8.616 -5.879
22 HD2 LYS 2 HD2 LYS 2 -12.018 -6.536 -6.830
23 HD3 LYS 2 HD1 LYS 2 -11.616 -7.846 -7.942
24 HE2 LYS 2 HE2 LYS 2 -14.149 -8.225 -8.095
25 HE3 LYS 2 HE1 LYS 2 -14.297 -6.631 -7.357
26 HZ1 LYS 2 HZ1 LYS 2 -14.396 -6.402 -9.717
27 HZ2 LYS 2 HZ2 LYS 2 -12.969 -7.284 -9.930
28 HZ3 LYS 2 HZ3 LYS 2 -12.918 -5.760 -9.198
29 H SER 3 HN SER 3 -9.971 -10.001 -5.146
30 HA SER 3 HA SER 3 -8.204 -10.779 -3.010
31 HB2 SER 3 HB2 SER 3 -8.598 -11.684 -5.568
32 HB3 SER 3 HB1 SER 3 -7.105 -10.761 -5.741
33 HG SER 3 HG SER 3 -6.894 -13.040 -5.110
34 H HIS 4 HN HIS 4 -8.586 -8.062 -5.115
35 HA HIS 4 HA HIS 4 -5.979 -7.024 -5.066
36 HB2 HIS 4 HB2 HIS 4 -8.589 -6.167 -5.939
37 HB3 HIS 4 HB1 HIS 4 -7.752 -4.837 -5.145
38 HD1 HIS 4 HD1 HIS 4 -7.723 -6.925 -8.207
39 HD2 HIS 4 HD2 HIS 4 -5.367 -3.996 -6.438
40 HE1 HIS 4 HE1 HIS 4 -6.124 -6.178 -9.997
41 HE2 HIS 4 HE2 HIS 4 -4.636 -4.487 -8.870
42 H THR 5 HN THR 5 -8.745 -6.463 -2.900
43 HA THR 5 HA THR 5 -7.359 -4.565 -1.288
44 HB THR 5 HB THR 5 -9.768 -4.508 -1.358
45 HG1 THR 5 HG1 THR 5 -8.943 -5.418 1.198
46 HG21 THR 5 HG21 THR 5 -9.673 -7.288 -0.220
47 HG22 THR 5 HG22 THR 5 -10.373 -6.776 -1.755
48 HG23 THR 5 HG23 THR 5 -11.112 -6.270 -0.236
49 H ALA 6 HN ALA 6 -7.928 -8.036 -1.075
50 HA ALA 6 HA ALA 6 -7.030 -8.495 1.517
51 HB1 ALA 6 HB1 ALA 6 -7.881 -10.423 0.730
52 HB2 ALA 6 HB2 ALA 6 -6.211 -10.740 0.259
53 HB3 ALA 6 HB3 ALA 6 -7.355 -10.102 -0.923
54 H SER 7 HN SER 7 -5.087 -9.363 -1.320
55 HA SER 7 HA SER 7 -2.605 -9.292 0.063
56 HB2 SER 7 HB2 SER 7 -2.947 -9.047 -2.928
57 HB3 SER 7 HB1 SER 7 -1.609 -9.770 -2.035
58 HG SER 7 HG SER 7 -4.108 -10.812 -2.659
59 H TYR 8 HN TYR 8 -4.483 -6.637 -0.660
60 HA TYR 8 HA TYR 8 -2.372 -5.020 -1.673
61 HB2 TYR 8 HB2 TYR 8 -3.947 -3.541 -2.066
62 HB3 TYR 8 HB1 TYR 8 -5.135 -4.562 -1.247
63 HD1 TYR 8 HD1 TYR 8 -4.107 -4.238 1.613
64 HD2 TYR 8 HD2 TYR 8 -4.656 -1.440 -1.567
65 HE1 TYR 8 HE1 TYR 8 -4.296 -2.376 3.240
66 HE2 TYR 8 HE2 TYR 8 -4.874 0.386 0.056
67 HH TYR 8 HH TYR 8 -4.856 -0.225 3.538
68 H LEU 9 HN LEU 9 -3.543 -5.874 1.529
69 HA LEU 9 HA LEU 9 -1.893 -3.914 2.747
70 HB2 LEU 9 HB2 LEU 9 -3.641 -6.053 3.696
71 HB3 LEU 9 HB1 LEU 9 -2.223 -5.806 4.697
72 HG LEU 9 HG LEU 9 -3.260 -3.233 4.178
73 HD11 LEU 9 HD11 LEU 9 -5.335 -4.853 3.700
74 HD12 LEU 9 HD12 LEU 9 -5.512 -3.285 4.488
75 HD13 LEU 9 HD13 LEU 9 -5.462 -4.758 5.456
76 HD21 LEU 9 HD21 LEU 9 -3.169 -3.033 6.456
77 HD22 LEU 9 HD22 LEU 9 -2.133 -4.444 6.240
78 HD23 LEU 9 HD23 LEU 9 -3.812 -4.650 6.742
79 H ARG 10 HN ARG 10 -1.391 -6.551 1.008
80 HA ARG 10 HA ARG 10 1.016 -7.515 2.222
81 HB2 ARG 10 HB2 ARG 10 -0.523 -8.465 -0.178
82 HB3 ARG 10 HB1 ARG 10 0.861 -9.272 0.528
83 HG2 ARG 10 HG2 ARG 10 -1.273 -10.310 1.167
84 HG3 ARG 10 HG1 ARG 10 -0.353 -9.732 2.549
85 HD2 ARG 10 HD2 ARG 10 -2.445 -7.886 1.426
86 HD3 ARG 10 HD1 ARG 10 -2.978 -9.319 2.297
87 HE ARG 10 HE ARG 10 -1.762 -6.989 3.386
88 HH11 ARG 10 HH11 ARG 10 -2.328 -10.400 3.854
89 HH12 ARG 10 HH12 ARG 10 -2.058 -10.347 5.564
90 HH21 ARG 10 HH21 ARG 10 -1.379 -6.926 5.658
91 HH22 ARG 10 HH22 ARG 10 -1.523 -8.380 6.583
92 H LEU 11 HN LEU 11 -0.173 -5.635 -0.425
93 HA LEU 11 HA LEU 11 2.469 -5.340 -1.698
94 HB2 LEU 11 HB2 LEU 11 1.302 -5.120 -3.614
95 HB3 LEU 11 HB1 LEU 11 -0.110 -5.600 -2.705
96 HG LEU 11 HG LEU 11 0.284 -2.695 -2.512
97 HD11 LEU 11 HD11 LEU 11 -0.078 -2.107 -4.778
98 HD12 LEU 11 HD12 LEU 11 -0.208 -3.794 -5.274
99 HD13 LEU 11 HD13 LEU 11 1.346 -3.148 -4.747
100 HD21 LEU 11 HD21 LEU 11 -2.057 -3.044 -3.720
101 HD22 LEU 11 HD22 LEU 11 -1.823 -3.325 -1.992
102 HD23 LEU 11 HD23 LEU 11 -1.824 -4.684 -3.116
103 H TRP 12 HN TRP 12 -0.284 -3.422 -0.940
104 HA TRP 12 HA TRP 12 0.646 -0.927 -1.026
105 HB2 TRP 12 HB2 TRP 12 -1.522 -0.766 -0.759
106 HB3 TRP 12 HB1 TRP 12 -1.619 -2.330 0.011
107 HD1 TRP 12 HD1 TRP 12 -2.255 1.084 0.549
108 HE1 TRP 12 HE1 TRP 12 -2.699 1.621 3.052
109 HE3 TRP 12 HE3 TRP 12 -0.385 -3.144 2.523
110 HZ2 TRP 12 HZ2 TRP 12 -2.290 0.309 5.543
111 HZ3 TRP 12 HZ3 TRP 12 -0.440 -3.499 4.948
112 HH2 TRP 12 HH2 TRP 12 -1.359 -1.783 6.442
113 H ALA 13 HN ALA 13 1.345 -3.305 1.393
114 HA ALA 13 HA ALA 13 2.100 -1.476 3.463
115 HB1 ALA 13 HB1 ALA 13 2.138 -4.396 3.075
116 HB2 ALA 13 HB2 ALA 13 1.652 -3.443 4.477
117 HB3 ALA 13 HB3 ALA 13 3.361 -3.743 4.166
118 H LEU 14 HN LEU 14 4.074 -3.764 1.556
119 HA LEU 14 HA LEU 14 6.542 -2.659 2.221
120 HB2 LEU 14 HB2 LEU 14 5.514 -4.439 0.112
121 HB3 LEU 14 HB1 LEU 14 6.993 -3.593 -0.297
122 HG LEU 14 HG LEU 14 7.363 -4.625 2.307
123 HD11 LEU 14 HD11 LEU 14 6.070 -6.431 2.408
124 HD12 LEU 14 HD12 LEU 14 7.110 -7.125 1.165
125 HD13 LEU 14 HD13 LEU 14 5.618 -6.303 0.708
126 HD21 LEU 14 HD21 LEU 14 8.588 -6.166 0.168
127 HD22 LEU 14 HD22 LEU 14 9.333 -5.167 1.416
128 HD23 LEU 14 HD23 LEU 14 8.746 -4.426 -0.072
129 H SER 15 HN SER 15 4.138 -1.579 -0.029
130 HA SER 15 HA SER 15 5.974 0.330 -1.253
131 HB2 SER 15 HB2 SER 15 3.445 -0.919 -2.028
132 HB3 SER 15 HB1 SER 15 3.486 0.813 -2.353
133 HG SER 15 HG SER 15 5.586 -0.924 -3.113
134 H LEU 16 HN LEU 16 4.194 0.251 1.494
135 HA LEU 16 HA LEU 16 2.880 2.778 1.403
136 HB2 LEU 16 HB2 LEU 16 2.235 0.969 2.953
137 HB3 LEU 16 HB1 LEU 16 3.760 1.156 3.793
138 HG LEU 16 HG LEU 16 2.116 3.600 3.575
139 HD11 LEU 16 HD11 LEU 16 0.771 2.833 5.578
140 HD12 LEU 16 HD12 LEU 16 1.251 1.191 5.151
141 HD13 LEU 16 HD13 LEU 16 0.306 2.157 4.017
142 HD21 LEU 16 HD21 LEU 16 4.060 3.836 4.832
143 HD22 LEU 16 HD22 LEU 16 3.864 2.265 5.611
144 HD23 LEU 16 HD23 LEU 16 2.807 3.607 6.052
145 H ALA 17 HN ALA 17 6.118 1.763 1.990
146 HA ALA 17 HA ALA 17 6.819 4.342 3.231
147 HB1 ALA 17 HB1 ALA 17 8.798 2.113 2.730
148 HB2 ALA 17 HB2 ALA 17 7.795 2.206 4.187
149 HB3 ALA 17 HB3 ALA 17 8.938 3.491 3.817
150 H HIS 18 HN HIS 18 7.557 2.453 0.322
151 HA HIS 18 HA HIS 18 9.434 4.268 -0.742
152 HB2 HIS 18 HB2 HIS 18 9.493 2.919 -2.599
153 HB3 HIS 18 HB1 HIS 18 8.823 1.800 -1.421
154 HD1 HIS 18 HD1 HIS 18 5.867 2.958 -1.593
155 HD2 HIS 18 HD2 HIS 18 8.249 1.813 -4.797
156 HE1 HIS 18 HE1 HIS 18 4.270 2.417 -3.457
157 HE2 HIS 18 HE2 HIS 18 5.730 1.622 -5.349
158 H ALA 19 HN ALA 19 6.088 4.606 -0.356
159 HA ALA 19 HA ALA 19 5.749 6.370 -2.641
160 HB1 ALA 19 HB1 ALA 19 4.010 4.708 -1.505
161 HB2 ALA 19 HB2 ALA 19 3.507 6.186 -2.324
162 HB3 ALA 19 HB3 ALA 19 3.645 6.155 -0.566
163 H GLN 20 HN GLN 20 6.271 6.556 0.803
164 HA GLN 20 HA GLN 20 5.543 9.303 1.085
165 HB2 GLN 20 HB2 GLN 20 6.581 7.175 2.784
166 HB3 GLN 20 HB1 GLN 20 7.303 8.735 3.154
167 HG2 GLN 20 HG2 GLN 20 5.309 9.655 3.822
168 HG3 GLN 20 HG1 GLN 20 4.347 8.532 2.862
169 HE21 GLN 20 HE21 GLN 20 4.861 6.140 3.579
170 HE22 GLN 20 HE22 GLN 20 4.714 5.871 5.279
171 H LEU 21 HN LEU 21 8.671 7.614 0.922
172 HA LEU 21 HA LEU 21 10.284 9.906 1.016
173 HB2 LEU 21 HB2 LEU 21 12.030 8.440 -0.006
174 HB3 LEU 21 HB1 LEU 21 11.278 7.791 1.438
175 HG LEU 21 HG LEU 21 9.716 6.648 -0.444
176 HD11 LEU 21 HD11 LEU 21 11.102 7.695 -2.238
177 HD12 LEU 21 HD12 LEU 21 11.000 5.936 -2.320
178 HD13 LEU 21 HD13 LEU 21 12.456 6.706 -1.688
179 HD21 LEU 21 HD21 LEU 21 10.497 5.108 1.002
180 HD22 LEU 21 HD22 LEU 21 12.098 5.843 1.083
181 HD23 LEU 21 HD23 LEU 21 11.676 4.796 -0.272
182 H SER 22 HN SER 22 8.296 8.708 -1.486
183 HA SER 22 HA SER 22 9.777 9.792 -3.682
184 HB2 SER 22 HB2 SER 22 7.022 8.637 -3.360
185 HB3 SER 22 HB1 SER 22 7.485 9.443 -4.859
186 HG SER 22 HG SER 22 7.871 7.148 -4.842
187 H SER 23 HN SER 23 7.482 11.036 -1.411
188 HA SER 23 HA SER 23 7.849 13.698 -2.376
189 HB2 SER 23 HB2 SER 23 5.564 12.188 -3.341
190 HB3 SER 23 HB1 SER 23 5.057 13.625 -2.453
191 HG SER 23 HG SER 23 5.713 14.797 -4.059
192 H LYS 24 HN LYS 24 8.579 13.739 -0.152
193 HA LYS 24 HA LYS 24 6.589 13.448 1.936
194 HB2 LYS 24 HB2 LYS 24 9.479 13.561 1.782
195 HB3 LYS 24 HB1 LYS 24 8.874 14.642 3.030
196 HG2 LYS 24 HG2 LYS 24 7.418 12.383 3.492
197 HG3 LYS 24 HG1 LYS 24 8.961 11.723 2.946
198 HD2 LYS 24 HD2 LYS 24 9.554 13.831 4.730
199 HD3 LYS 24 HD1 LYS 24 8.281 12.868 5.482
200 HE2 LYS 24 HE2 LYS 24 9.597 10.862 5.248
201 HE3 LYS 24 HE1 LYS 24 10.831 11.734 4.341
202 HZ1 LYS 24 HZ1 LYS 24 10.241 12.847 6.941
203 HZ2 LYS 24 HZ2 LYS 24 11.733 12.550 6.204
204 HZ3 LYS 24 HZ3 LYS 24 10.913 11.295 6.986
205 H LYS 25 HN LYS 25 6.229 15.199 3.517
206 HA LYS 25 HA LYS 25 6.722 17.910 2.652
207 HB2 LYS 25 HB2 LYS 25 4.470 16.765 1.637
208 HB3 LYS 25 HB1 LYS 25 3.847 17.460 3.127
209 HG2 LYS 25 HG2 LYS 25 5.425 19.462 1.997
210 HG3 LYS 25 HG1 LYS 25 4.539 18.748 0.648
211 HD2 LYS 25 HD2 LYS 25 3.037 19.348 3.142
212 HD3 LYS 25 HD1 LYS 25 3.518 20.704 2.120
213 HE2 LYS 25 HE2 LYS 25 2.248 19.954 0.318
214 HE3 LYS 25 HE1 LYS 25 2.158 18.308 0.945
215 HZ1 LYS 25 HZ1 LYS 25 0.498 18.857 2.403
216 HZ2 LYS 25 HZ2 LYS 25 0.122 19.891 1.119
217 HZ3 LYS 25 HZ3 LYS 25 0.929 20.491 2.478
Start of MODEL 4
1 H1 LYS 1 HT1 LYS 1 -11.431 -4.463 -1.359
2 H2 LYS 1 HT2 LYS 1 -11.433 -3.099 -2.400
3 H3 LYS 1 HT3 LYS 1 -10.422 -4.442 -2.745
4 HA LYS 1 HA LYS 1 -13.328 -4.190 -2.970
5 HB2 LYS 1 HB2 LYS 1 -11.098 -5.149 -4.777
6 HB3 LYS 1 HB1 LYS 1 -12.803 -5.154 -5.208
7 HG2 LYS 1 HG2 LYS 1 -12.859 -2.928 -5.577
8 HG3 LYS 1 HG1 LYS 1 -11.697 -2.575 -4.297
9 HD2 LYS 1 HD2 LYS 1 -9.915 -3.539 -5.780
10 HD3 LYS 1 HD1 LYS 1 -11.120 -3.613 -7.067
11 HE2 LYS 1 HE2 LYS 1 -11.230 -1.325 -7.282
12 HE3 LYS 1 HE1 LYS 1 -10.702 -1.039 -5.625
13 HZ1 LYS 1 HZ1 LYS 1 -9.144 -1.281 -8.021
14 HZ2 LYS 1 HZ2 LYS 1 -8.565 -2.262 -6.770
15 HZ3 LYS 1 HZ3 LYS 1 -8.732 -0.596 -6.529
16 H LYS 2 HN LYS 2 -10.845 -6.699 -3.467
17 HA LYS 2 HA LYS 2 -12.119 -8.543 -1.683
18 HB2 LYS 2 HB2 LYS 2 -13.032 -8.473 -4.423
19 HB3 LYS 2 HB1 LYS 2 -12.151 -9.981 -4.176
20 HG2 LYS 2 HG2 LYS 2 -13.590 -10.581 -2.344
21 HG3 LYS 2 HG1 LYS 2 -14.398 -9.014 -2.413
22 HD2 LYS 2 HD2 LYS 2 -15.845 -10.498 -3.522
23 HD3 LYS 2 HD1 LYS 2 -15.017 -9.618 -4.808
24 HE2 LYS 2 HE2 LYS 2 -13.435 -11.876 -4.199
25 HE3 LYS 2 HE1 LYS 2 -15.104 -12.433 -4.316
26 HZ1 LYS 2 HZ1 LYS 2 -14.450 -12.550 -6.485
27 HZ2 LYS 2 HZ2 LYS 2 -13.397 -11.230 -6.374
28 HZ3 LYS 2 HZ3 LYS 2 -15.067 -10.974 -6.463
29 H SER 3 HN SER 3 -10.189 -8.651 -4.694
30 HA SER 3 HA SER 3 -8.277 -10.425 -3.387
31 HB2 SER 3 HB2 SER 3 -8.926 -9.703 -6.199
32 HB3 SER 3 HB1 SER 3 -7.257 -10.155 -5.854
33 HG SER 3 HG SER 3 -8.292 -12.033 -6.309
34 H HIS 4 HN HIS 4 -8.438 -7.227 -4.874
35 HA HIS 4 HA HIS 4 -5.697 -6.593 -4.676
36 HB2 HIS 4 HB2 HIS 4 -8.088 -5.300 -5.528
37 HB3 HIS 4 HB1 HIS 4 -7.269 -4.220 -4.406
38 HD1 HIS 4 HD1 HIS 4 -4.352 -4.734 -5.156
39 HD2 HIS 4 HD2 HIS 4 -7.400 -4.257 -7.940
40 HE1 HIS 4 HE1 HIS 4 -3.217 -4.006 -7.278
41 HE2 HIS 4 HE2 HIS 4 -5.089 -3.640 -8.924
42 H THR 5 HN THR 5 -8.435 -5.706 -2.563
43 HA THR 5 HA THR 5 -7.045 -4.279 -0.649
44 HB THR 5 HB THR 5 -9.442 -4.298 -0.629
45 HG1 THR 5 HG1 THR 5 -8.645 -5.663 1.717
46 HG21 THR 5 HG21 THR 5 -10.752 -6.228 0.085
47 HG22 THR 5 HG22 THR 5 -9.291 -7.215 0.090
48 HG23 THR 5 HG23 THR 5 -9.895 -6.540 -1.423
49 H ALA 6 HN ALA 6 -7.619 -7.781 -0.771
50 HA ALA 6 HA ALA 6 -6.542 -8.502 1.672
51 HB1 ALA 6 HB1 ALA 6 -7.482 -9.841 -0.560
52 HB2 ALA 6 HB2 ALA 6 -6.933 -10.570 0.948
53 HB3 ALA 6 HB3 ALA 6 -5.814 -10.390 -0.402
54 H SER 7 HN SER 7 -4.760 -9.018 -1.351
55 HA SER 7 HA SER 7 -2.205 -9.094 -0.110
56 HB2 SER 7 HB2 SER 7 -2.731 -8.482 -3.022
57 HB3 SER 7 HB1 SER 7 -1.324 -9.270 -2.309
58 HG SER 7 HG SER 7 -2.712 -11.016 -1.741
59 H TYR 8 HN TYR 8 -4.134 -6.394 -0.379
60 HA TYR 8 HA TYR 8 -2.093 -4.641 -1.305
61 HB2 TYR 8 HB2 TYR 8 -3.689 -3.141 -1.434
62 HB3 TYR 8 HB1 TYR 8 -4.832 -4.279 -0.711
63 HD1 TYR 8 HD1 TYR 8 -4.432 -1.138 -0.639
64 HD2 TYR 8 HD2 TYR 8 -3.661 -4.301 2.130
65 HE1 TYR 8 HE1 TYR 8 -4.606 0.459 1.213
66 HE2 TYR 8 HE2 TYR 8 -3.814 -2.668 3.982
67 HH TYR 8 HH TYR 8 -4.980 0.554 3.537
68 H LEU 9 HN LEU 9 -3.047 -5.914 1.826
69 HA LEU 9 HA LEU 9 -1.351 -4.068 3.166
70 HB2 LEU 9 HB2 LEU 9 -2.999 -6.344 3.986
71 HB3 LEU 9 HB1 LEU 9 -1.530 -6.143 4.921
72 HG LEU 9 HG LEU 9 -2.684 -3.572 4.708
73 HD11 LEU 9 HD11 LEU 9 -4.834 -4.319 4.209
74 HD12 LEU 9 HD12 LEU 9 -4.859 -4.186 5.968
75 HD13 LEU 9 HD13 LEU 9 -4.674 -5.765 5.206
76 HD21 LEU 9 HD21 LEU 9 -2.432 -3.568 6.981
77 HD22 LEU 9 HD22 LEU 9 -1.368 -4.913 6.568
78 HD23 LEU 9 HD23 LEU 9 -2.997 -5.228 7.164
79 H ARG 10 HN ARG 10 -0.960 -6.469 1.103
80 HA ARG 10 HA ARG 10 1.532 -7.535 2.022
81 HB2 ARG 10 HB2 ARG 10 -0.161 -8.226 -0.366
82 HB3 ARG 10 HB1 ARG 10 1.271 -9.089 0.153
83 HG2 ARG 10 HG2 ARG 10 -0.809 -10.227 0.803
84 HG3 ARG 10 HG1 ARG 10 0.193 -9.795 2.182
85 HD2 ARG 10 HD2 ARG 10 -1.974 -7.861 1.417
86 HD3 ARG 10 HD1 ARG 10 -2.450 -9.394 2.133
87 HE ARG 10 HE ARG 10 -1.197 -7.200 3.436
88 HH11 ARG 10 HH11 ARG 10 -1.637 -10.667 3.482
89 HH12 ARG 10 HH12 ARG 10 -1.264 -10.827 5.165
90 HH21 ARG 10 HH21 ARG 10 -0.679 -7.428 5.680
91 HH22 ARG 10 HH22 ARG 10 -0.726 -8.996 6.406
92 H LEU 11 HN LEU 11 0.137 -5.372 -0.287
93 HA LEU 11 HA LEU 11 2.673 -4.877 -1.703
94 HB2 LEU 11 HB2 LEU 11 1.370 -4.454 -3.489
95 HB3 LEU 11 HB1 LEU 11 0.021 -5.043 -2.550
96 HG LEU 11 HG LEU 11 0.445 -2.179 -2.041
97 HD11 LEU 11 HD11 LEU 11 -0.280 -1.438 -4.275
98 HD12 LEU 11 HD12 LEU 11 -0.005 -3.069 -4.889
99 HD13 LEU 11 HD13 LEU 11 1.348 -2.116 -4.278
100 HD21 LEU 11 HD21 LEU 11 -1.739 -4.047 -2.820
101 HD22 LEU 11 HD22 LEU 11 -1.968 -2.313 -3.047
102 HD23 LEU 11 HD23 LEU 11 -1.614 -2.954 -1.439
103 H TRP 12 HN TRP 12 -0.040 -3.102 -0.539
104 HA TRP 12 HA TRP 12 0.925 -0.608 -0.372
105 HB2 TRP 12 HB2 TRP 12 -1.231 -0.429 -0.022
106 HB3 TRP 12 HB1 TRP 12 -1.353 -2.086 0.519
107 HD1 TRP 12 HD1 TRP 12 -2.031 1.167 1.539
108 HE1 TRP 12 HE1 TRP 12 -2.330 1.390 4.107
109 HE3 TRP 12 HE3 TRP 12 0.078 -3.190 2.878
110 HZ2 TRP 12 HZ2 TRP 12 -1.734 -0.188 6.397
111 HZ3 TRP 12 HZ3 TRP 12 0.179 -3.835 5.242
112 HH2 TRP 12 HH2 TRP 12 -0.697 -2.341 6.983
113 H ALA 13 HN ALA 13 1.826 -3.261 1.593
114 HA ALA 13 HA ALA 13 2.579 -1.734 3.912
115 HB1 ALA 13 HB1 ALA 13 3.028 -4.589 3.090
116 HB2 ALA 13 HB2 ALA 13 1.954 -3.969 4.345
117 HB3 ALA 13 HB3 ALA 13 3.702 -3.906 4.571
118 H LEU 14 HN LEU 14 4.455 -3.630 1.533
119 HA LEU 14 HA LEU 14 6.956 -2.601 2.314
120 HB2 LEU 14 HB2 LEU 14 5.924 -4.010 -0.109
121 HB3 LEU 14 HB1 LEU 14 7.525 -3.298 -0.162
122 HG LEU 14 HG LEU 14 6.610 -5.374 1.832
123 HD11 LEU 14 HD11 LEU 14 7.537 -6.997 0.543
124 HD12 LEU 14 HD12 LEU 14 8.712 -5.904 -0.189
125 HD13 LEU 14 HD13 LEU 14 7.036 -5.892 -0.737
126 HD21 LEU 14 HD21 LEU 14 9.444 -5.118 1.580
127 HD22 LEU 14 HD22 LEU 14 8.432 -4.902 3.008
128 HD23 LEU 14 HD23 LEU 14 8.750 -3.536 1.939
129 H SER 15 HN SER 15 4.486 -1.393 0.201
130 HA SER 15 HA SER 15 6.220 0.702 -0.855
131 HB2 SER 15 HB2 SER 15 3.294 0.343 -1.480
132 HB3 SER 15 HB1 SER 15 4.535 1.131 -2.453
133 HG SER 15 HG SER 15 4.069 -1.611 -2.039
134 H LEU 16 HN LEU 16 4.584 0.313 1.929
135 HA LEU 16 HA LEU 16 3.120 2.760 2.074
136 HB2 LEU 16 HB2 LEU 16 3.413 0.446 3.654
137 HB3 LEU 16 HB1 LEU 16 3.919 1.787 4.661
138 HG LEU 16 HG LEU 16 1.302 1.836 3.181
139 HD11 LEU 16 HD11 LEU 16 0.316 1.126 5.399
140 HD12 LEU 16 HD12 LEU 16 1.937 0.590 5.840
141 HD13 LEU 16 HD13 LEU 16 1.114 -0.135 4.459
142 HD21 LEU 16 HD21 LEU 16 2.682 3.737 4.658
143 HD22 LEU 16 HD22 LEU 16 1.465 3.117 5.774
144 HD23 LEU 16 HD23 LEU 16 0.975 3.781 4.215
145 H ALA 17 HN ALA 17 6.375 1.756 2.869
146 HA ALA 17 HA ALA 17 6.955 4.415 3.990
147 HB1 ALA 17 HB1 ALA 17 7.828 2.379 5.204
148 HB2 ALA 17 HB2 ALA 17 9.013 3.627 4.834
149 HB3 ALA 17 HB3 ALA 17 8.961 2.162 3.860
150 H HIS 18 HN HIS 18 7.071 2.878 1.029
151 HA HIS 18 HA HIS 18 9.380 4.367 0.049
152 HB2 HIS 18 HB2 HIS 18 8.082 1.943 -0.673
153 HB3 HIS 18 HB1 HIS 18 7.970 3.035 -2.051
154 HD1 HIS 18 HD1 HIS 18 9.939 3.049 -3.536
155 HD2 HIS 18 HD2 HIS 18 10.893 1.757 0.296
156 HE1 HIS 18 HE1 HIS 18 12.367 2.392 -3.635
157 HE2 HIS 18 HE2 HIS 18 12.945 1.692 -1.283
158 H ALA 19 HN ALA 19 5.927 4.039 -0.761
159 HA ALA 19 HA ALA 19 5.670 5.893 -2.733
160 HB1 ALA 19 HB1 ALA 19 3.579 5.846 -0.612
161 HB2 ALA 19 HB2 ALA 19 3.909 4.381 -1.536
162 HB3 ALA 19 HB3 ALA 19 3.405 5.852 -2.367
163 H GLN 20 HN GLN 20 5.745 6.546 0.745
164 HA GLN 20 HA GLN 20 5.111 9.254 0.687
165 HB2 GLN 20 HB2 GLN 20 6.285 9.412 2.838
166 HB3 GLN 20 HB1 GLN 20 5.256 7.990 2.761
167 HG2 GLN 20 HG2 GLN 20 7.394 6.749 2.045
168 HG3 GLN 20 HG1 GLN 20 8.238 8.161 2.683
169 HE21 GLN 20 HE21 GLN 20 5.372 6.374 3.751
170 HE22 GLN 20 HE22 GLN 20 5.957 6.045 5.344
171 H LEU 21 HN LEU 21 8.200 7.633 0.168
172 HA LEU 21 HA LEU 21 9.761 10.003 0.074
173 HB2 LEU 21 HB2 LEU 21 10.256 7.234 -1.013
174 HB3 LEU 21 HB1 LEU 21 11.446 8.520 -1.056
175 HG LEU 21 HG LEU 21 10.231 7.661 1.549
176 HD11 LEU 21 HD11 LEU 21 12.072 6.098 1.856
177 HD12 LEU 21 HD12 LEU 21 12.630 6.414 0.213
178 HD13 LEU 21 HD13 LEU 21 11.072 5.631 0.480
179 HD21 LEU 21 HD21 LEU 21 13.045 8.434 1.378
180 HD22 LEU 21 HD22 LEU 21 11.780 8.982 2.478
181 HD23 LEU 21 HD23 LEU 21 11.925 9.699 0.873
182 H SER 22 HN SER 22 7.753 8.351 -2.203
183 HA SER 22 HA SER 22 8.672 10.161 -4.339
184 HB2 SER 22 HB2 SER 22 8.005 7.302 -4.326
185 HB3 SER 22 HB1 SER 22 7.227 8.205 -5.626
186 HG SER 22 HG SER 22 9.997 8.365 -5.053
187 H SER 23 HN SER 23 6.709 10.740 -2.236
188 HA SER 23 HA SER 23 4.574 11.656 -3.969
189 HB2 SER 23 HB2 SER 23 3.787 9.429 -3.222
190 HB3 SER 23 HB1 SER 23 3.950 9.952 -1.545
191 HG SER 23 HG SER 23 2.193 10.977 -3.518
192 H LYS 24 HN LYS 24 5.058 11.264 -0.456
193 HA LYS 24 HA LYS 24 5.668 13.992 -0.002
194 HB2 LYS 24 HB2 LYS 24 3.596 14.638 1.177
195 HB3 LYS 24 HB1 LYS 24 3.330 14.357 -0.538
196 HG2 LYS 24 HG2 LYS 24 2.165 12.388 -0.169
197 HG3 LYS 24 HG1 LYS 24 2.839 12.178 1.449
198 HD2 LYS 24 HD2 LYS 24 1.232 13.421 2.396
199 HD3 LYS 24 HD1 LYS 24 1.328 14.657 1.140
200 HE2 LYS 24 HE2 LYS 24 -0.454 13.839 0.075
201 HE3 LYS 24 HE1 LYS 24 0.168 12.191 0.149
202 HZ1 LYS 24 HZ1 LYS 24 -1.792 13.478 1.802
203 HZ2 LYS 24 HZ2 LYS 24 -0.598 12.690 2.704
204 HZ3 LYS 24 HZ3 LYS 24 -1.499 11.829 1.559
205 H LYS 25 HN LYS 25 6.120 14.440 2.196
206 HA LYS 25 HA LYS 25 6.858 12.112 3.704
207 HB2 LYS 25 HB2 LYS 25 7.753 14.744 3.555
208 HB3 LYS 25 HB1 LYS 25 7.041 14.626 5.158
209 HG2 LYS 25 HG2 LYS 25 8.482 12.360 5.133
210 HG3 LYS 25 HG1 LYS 25 9.464 13.361 4.062
211 HD2 LYS 25 HD2 LYS 25 8.497 14.442 6.680
212 HD3 LYS 25 HD1 LYS 25 9.919 13.400 6.617
213 HE2 LYS 25 HE2 LYS 25 9.950 15.517 4.611
214 HE3 LYS 25 HE1 LYS 25 9.898 16.128 6.264
215 HZ1 LYS 25 HZ1 LYS 25 11.915 15.189 6.770
216 HZ2 LYS 25 HZ2 LYS 25 12.162 15.610 5.151
217 HZ3 LYS 25 HZ3 LYS 25 11.812 14.008 5.563
Start of MODEL 5
1 H1 LYS 1 HT1 LYS 1 -14.963 -6.368 -1.110
2 H2 LYS 1 HT2 LYS 1 -14.862 -6.763 0.557
3 H3 LYS 1 HT3 LYS 1 -15.117 -7.999 -0.606
4 HA LYS 1 HA LYS 1 -12.741 -6.287 -0.650
5 HB2 LYS 1 HB2 LYS 1 -11.596 -8.027 0.647
6 HB3 LYS 1 HB1 LYS 1 -12.905 -7.304 1.573
7 HG2 LYS 1 HG2 LYS 1 -13.367 -9.456 2.040
8 HG3 LYS 1 HG1 LYS 1 -14.222 -9.374 0.498
9 HD2 LYS 1 HD2 LYS 1 -11.964 -10.088 -0.532
10 HD3 LYS 1 HD1 LYS 1 -11.543 -10.574 1.112
11 HE2 LYS 1 HE2 LYS 1 -12.422 -12.482 -0.049
12 HE3 LYS 1 HE1 LYS 1 -13.594 -11.973 1.165
13 HZ1 LYS 1 HZ1 LYS 1 -14.209 -10.617 -1.183
14 HZ2 LYS 1 HZ2 LYS 1 -15.095 -11.850 -0.439
15 HZ3 LYS 1 HZ3 LYS 1 -13.943 -12.230 -1.618
16 H LYS 2 HN LYS 2 -10.911 -7.688 -1.536
17 HA LYS 2 HA LYS 2 -11.653 -9.882 -3.249
18 HB2 LYS 2 HB2 LYS 2 -11.718 -7.176 -4.289
19 HB3 LYS 2 HB1 LYS 2 -10.397 -8.049 -5.063
20 HG2 LYS 2 HG2 LYS 2 -11.848 -9.020 -6.418
21 HG3 LYS 2 HG1 LYS 2 -12.637 -9.778 -5.035
22 HD2 LYS 2 HD2 LYS 2 -14.431 -8.495 -5.321
23 HD3 LYS 2 HD1 LYS 2 -13.444 -7.040 -5.175
24 HE2 LYS 2 HE2 LYS 2 -13.092 -6.906 -7.482
25 HE3 LYS 2 HE1 LYS 2 -13.566 -8.584 -7.742
26 HZ1 LYS 2 HZ1 LYS 2 -15.719 -8.038 -7.857
27 HZ2 LYS 2 HZ2 LYS 2 -15.163 -6.469 -8.157
28 HZ3 LYS 2 HZ3 LYS 2 -15.626 -6.916 -6.593
29 H SER 3 HN SER 3 -9.497 -9.820 -4.993
30 HA SER 3 HA SER 3 -7.373 -10.622 -3.256
31 HB2 SER 3 HB2 SER 3 -7.887 -10.636 -6.181
32 HB3 SER 3 HB1 SER 3 -6.196 -10.633 -5.681
33 HG SER 3 HG SER 3 -7.269 -12.750 -5.925
34 H HIS 4 HN HIS 4 -8.153 -7.763 -5.075
35 HA HIS 4 HA HIS 4 -5.514 -6.604 -4.853
36 HB2 HIS 4 HB2 HIS 4 -7.968 -6.042 -6.285
37 HB3 HIS 4 HB1 HIS 4 -7.332 -4.583 -5.532
38 HD1 HIS 4 HD1 HIS 4 -6.007 -7.420 -7.701
39 HD2 HIS 4 HD2 HIS 4 -5.464 -3.352 -7.049
40 HE1 HIS 4 HE1 HIS 4 -4.308 -6.687 -9.404
41 HE2 HIS 4 HE2 HIS 4 -4.049 -4.207 -9.038
42 H THR 5 HN THR 5 -8.270 -6.812 -2.845
43 HA THR 5 HA THR 5 -7.609 -4.359 -1.396
44 HB THR 5 HB THR 5 -9.701 -4.453 -0.420
45 HG1 THR 5 HG1 THR 5 -10.700 -6.274 0.201
46 HG21 THR 5 HG21 THR 5 -9.944 -5.856 -3.047
47 HG22 THR 5 HG22 THR 5 -10.465 -4.235 -2.583
48 HG23 THR 5 HG23 THR 5 -11.357 -5.645 -2.015
49 H ALA 6 HN ALA 6 -8.114 -7.810 -0.639
50 HA ALA 6 HA ALA 6 -7.137 -7.735 1.973
51 HB1 ALA 6 HB1 ALA 6 -6.598 -10.179 0.395
52 HB2 ALA 6 HB2 ALA 6 -8.276 -9.645 0.488
53 HB3 ALA 6 HB3 ALA 6 -7.378 -9.990 1.966
54 H SER 7 HN SER 7 -5.421 -8.918 -0.915
55 HA SER 7 HA SER 7 -2.855 -8.987 0.326
56 HB2 SER 7 HB2 SER 7 -3.392 -10.373 -1.625
57 HB3 SER 7 HB1 SER 7 -3.603 -8.926 -2.611
58 HG SER 7 HG SER 7 -1.547 -9.569 -2.983
59 H TYR 8 HN TYR 8 -4.639 -6.260 -0.357
60 HA TYR 8 HA TYR 8 -2.503 -4.785 -1.524
61 HB2 TYR 8 HB2 TYR 8 -3.985 -3.196 -1.855
62 HB3 TYR 8 HB1 TYR 8 -5.208 -4.166 -1.024
63 HD1 TYR 8 HD1 TYR 8 -4.056 -3.900 1.827
64 HD2 TYR 8 HD2 TYR 8 -4.630 -1.070 -1.327
65 HE1 TYR 8 HE1 TYR 8 -4.127 -2.038 3.459
66 HE2 TYR 8 HE2 TYR 8 -4.726 0.755 0.309
67 HH TYR 8 HH TYR 8 -5.305 0.422 3.409
68 H LEU 9 HN LEU 9 -3.533 -5.554 1.733
69 HA LEU 9 HA LEU 9 -1.764 -3.636 2.852
70 HB2 LEU 9 HB2 LEU 9 -3.578 -5.652 3.904
71 HB3 LEU 9 HB1 LEU 9 -2.095 -5.522 4.829
72 HG LEU 9 HG LEU 9 -3.012 -2.875 4.339
73 HD11 LEU 9 HD11 LEU 9 -5.138 -4.550 5.668
74 HD12 LEU 9 HD12 LEU 9 -5.213 -4.087 3.967
75 HD13 LEU 9 HD13 LEU 9 -5.205 -2.845 5.220
76 HD21 LEU 9 HD21 LEU 9 -2.925 -2.697 6.696
77 HD22 LEU 9 HD22 LEU 9 -1.660 -3.843 6.252
78 HD23 LEU 9 HD23 LEU 9 -3.185 -4.427 6.918
79 H ARG 10 HN ARG 10 -1.446 -6.308 1.124
80 HA ARG 10 HA ARG 10 0.967 -7.360 2.251
81 HB2 ARG 10 HB2 ARG 10 -0.700 -8.248 -0.088
82 HB3 ARG 10 HB1 ARG 10 0.689 -9.105 0.549
83 HG2 ARG 10 HG2 ARG 10 -1.476 -10.057 1.272
84 HG3 ARG 10 HG1 ARG 10 -0.440 -9.567 2.605
85 HD2 ARG 10 HD2 ARG 10 -2.512 -7.601 1.643
86 HD3 ARG 10 HD1 ARG 10 -3.033 -9.005 2.570
87 HE ARG 10 HE ARG 10 -1.727 -6.711 3.553
88 HH11 ARG 10 HH11 ARG 10 -1.977 -10.166 3.996
89 HH12 ARG 10 HH12 ARG 10 -1.504 -10.123 5.661
90 HH21 ARG 10 HH21 ARG 10 -1.080 -6.660 5.769
91 HH22 ARG 10 HH22 ARG 10 -0.999 -8.138 6.664
92 H LEU 11 HN LEU 11 -0.261 -5.485 -0.386
93 HA LEU 11 HA LEU 11 2.328 -5.283 -1.767
94 HB2 LEU 11 HB2 LEU 11 1.067 -5.037 -3.617
95 HB3 LEU 11 HB1 LEU 11 -0.323 -5.414 -2.629
96 HG LEU 11 HG LEU 11 0.260 -2.540 -2.499
97 HD11 LEU 11 HD11 LEU 11 1.192 -2.764 -4.689
98 HD12 LEU 11 HD12 LEU 11 -0.438 -2.108 -4.850
99 HD13 LEU 11 HD13 LEU 11 -0.131 -3.808 -5.208
100 HD21 LEU 11 HD21 LEU 11 -1.840 -3.235 -1.823
101 HD22 LEU 11 HD22 LEU 11 -2.032 -4.341 -3.186
102 HD23 LEU 11 HD23 LEU 11 -2.130 -2.599 -3.445
103 H TRP 12 HN TRP 12 -0.294 -3.238 -0.891
104 HA TRP 12 HA TRP 12 0.755 -0.790 -1.034
105 HB2 TRP 12 HB2 TRP 12 -1.393 -0.510 -0.713
106 HB3 TRP 12 HB1 TRP 12 -1.555 -2.064 0.067
107 HD1 TRP 12 HD1 TRP 12 -2.044 1.365 0.596
108 HE1 TRP 12 HE1 TRP 12 -2.393 1.946 3.102
109 HE3 TRP 12 HE3 TRP 12 -0.260 -2.900 2.570
110 HZ2 TRP 12 HZ2 TRP 12 -1.960 0.653 5.596
111 HZ3 TRP 12 HZ3 TRP 12 -0.259 -3.223 4.999
112 HH2 TRP 12 HH2 TRP 12 -1.077 -1.459 6.497
113 H ALA 13 HN ALA 13 1.408 -3.179 1.379
114 HA ALA 13 HA ALA 13 2.287 -1.402 3.434
115 HB1 ALA 13 HB1 ALA 13 2.698 -4.345 2.974
116 HB2 ALA 13 HB2 ALA 13 1.610 -3.568 4.123
117 HB3 ALA 13 HB3 ALA 13 3.355 -3.488 4.368
118 H LEU 14 HN LEU 14 4.127 -3.660 1.374
119 HA LEU 14 HA LEU 14 6.651 -2.603 1.955
120 HB2 LEU 14 HB2 LEU 14 5.507 -4.283 -0.214
121 HB3 LEU 14 HB1 LEU 14 7.074 -3.553 -0.508
122 HG LEU 14 HG LEU 14 7.351 -5.804 0.339
123 HD11 LEU 14 HD11 LEU 14 8.288 -4.750 2.773
124 HD12 LEU 14 HD12 LEU 14 8.429 -3.462 1.578
125 HD13 LEU 14 HD13 LEU 14 9.195 -5.023 1.286
126 HD21 LEU 14 HD21 LEU 14 5.379 -6.235 1.537
127 HD22 LEU 14 HD22 LEU 14 5.602 -4.828 2.578
128 HD23 LEU 14 HD23 LEU 14 6.658 -6.230 2.752
129 H SER 15 HN SER 15 4.129 -1.428 -0.082
130 HA SER 15 HA SER 15 5.920 0.390 -1.480
131 HB2 SER 15 HB2 SER 15 2.948 -0.078 -1.797
132 HB3 SER 15 HB1 SER 15 3.912 1.011 -2.794
133 HG SER 15 HG SER 15 3.823 -0.895 -3.888
134 H LEU 16 HN LEU 16 4.061 0.365 1.333
135 HA LEU 16 HA LEU 16 3.129 3.044 1.344
136 HB2 LEU 16 HB2 LEU 16 2.307 1.199 2.832
137 HB3 LEU 16 HB1 LEU 16 3.803 1.332 3.734
138 HG LEU 16 HG LEU 16 3.141 3.799 4.084
139 HD11 LEU 16 HD11 LEU 16 1.150 3.240 2.352
140 HD12 LEU 16 HD12 LEU 16 1.080 4.527 3.555
141 HD13 LEU 16 HD13 LEU 16 0.327 2.968 3.888
142 HD21 LEU 16 HD21 LEU 16 2.804 1.534 5.576
143 HD22 LEU 16 HD22 LEU 16 1.177 2.214 5.558
144 HD23 LEU 16 HD23 LEU 16 2.529 3.181 6.145
145 H ALA 17 HN ALA 17 6.240 1.771 1.533
146 HA ALA 17 HA ALA 17 7.256 4.000 3.152
147 HB1 ALA 17 HB1 ALA 17 8.156 1.670 3.576
148 HB2 ALA 17 HB2 ALA 17 9.354 2.934 3.327
149 HB3 ALA 17 HB3 ALA 17 8.998 1.806 2.024
150 H HIS 18 HN HIS 18 8.280 2.512 0.067
151 HA HIS 18 HA HIS 18 9.874 4.584 -0.798
152 HB2 HIS 18 HB2 HIS 18 9.645 3.725 -3.029
153 HB3 HIS 18 HB1 HIS 18 9.648 2.365 -1.913
154 HD1 HIS 18 HD1 HIS 18 8.180 0.664 -2.921
155 HD2 HIS 18 HD2 HIS 18 6.531 4.463 -3.199
156 HE1 HIS 18 HE1 HIS 18 5.925 0.342 -3.986
157 HE2 HIS 18 HE2 HIS 18 4.901 2.642 -4.037
158 H ALA 19 HN ALA 19 6.416 4.476 -0.645
159 HA ALA 19 HA ALA 19 5.892 6.557 -2.511
160 HB1 ALA 19 HB1 ALA 19 4.148 5.722 -0.202
161 HB2 ALA 19 HB2 ALA 19 4.233 4.850 -1.733
162 HB3 ALA 19 HB3 ALA 19 3.652 6.515 -1.697
163 H GLN 20 HN GLN 20 6.411 6.461 0.979
164 HA GLN 20 HA GLN 20 5.883 9.266 1.319
165 HB2 GLN 20 HB2 GLN 20 6.442 6.972 3.028
166 HB3 GLN 20 HB1 GLN 20 7.267 8.428 3.569
167 HG2 GLN 20 HG2 GLN 20 5.268 9.589 3.878
168 HG3 GLN 20 HG1 GLN 20 4.350 8.446 2.901
169 HE21 GLN 20 HE21 GLN 20 4.507 6.123 3.803
170 HE22 GLN 20 HE22 GLN 20 4.230 5.972 5.501
171 H LEU 21 HN LEU 21 8.636 7.327 0.543
172 HA LEU 21 HA LEU 21 10.496 9.476 1.204
173 HB2 LEU 21 HB2 LEU 21 11.172 6.827 -0.054
174 HB3 LEU 21 HB1 LEU 21 12.247 7.921 0.795
175 HG LEU 21 HG LEU 21 9.980 6.860 2.370
176 HD11 LEU 21 HD11 LEU 21 10.449 4.816 1.340
177 HD12 LEU 21 HD12 LEU 21 11.397 4.782 2.826
178 HD13 LEU 21 HD13 LEU 21 12.182 5.136 1.287
179 HD21 LEU 21 HD21 LEU 21 12.204 6.491 3.830
180 HD22 LEU 21 HD22 LEU 21 11.330 8.021 3.759
181 HD23 LEU 21 HD23 LEU 21 12.759 7.775 2.755
182 H SER 22 HN SER 22 8.452 9.441 -1.084
183 HA SER 22 HA SER 22 10.189 10.678 -3.011
184 HB2 SER 22 HB2 SER 22 8.533 8.368 -4.013
185 HB3 SER 22 HB1 SER 22 9.810 9.245 -4.855
186 HG SER 22 HG SER 22 11.314 8.311 -3.465
187 H SER 23 HN SER 23 7.843 11.314 -1.306
188 HA SER 23 HA SER 23 6.122 12.375 -3.445
189 HB2 SER 23 HB2 SER 23 5.304 10.876 -0.977
190 HB3 SER 23 HB1 SER 23 4.232 12.103 -1.650
191 HG SER 23 HG SER 23 5.262 9.833 -3.007
192 H LYS 24 HN LYS 24 5.828 12.698 0.071
193 HA LYS 24 HA LYS 24 7.099 15.225 0.236
194 HB2 LYS 24 HB2 LYS 24 4.310 15.185 -0.592
195 HB3 LYS 24 HB1 LYS 24 4.543 16.104 0.889
196 HG2 LYS 24 HG2 LYS 24 6.414 17.311 -0.339
197 HG3 LYS 24 HG1 LYS 24 5.771 16.573 -1.807
198 HD2 LYS 24 HD2 LYS 24 3.502 17.550 -0.959
199 HD3 LYS 24 HD1 LYS 24 4.538 18.619 -0.012
200 HE2 LYS 24 HE2 LYS 24 4.349 19.881 -1.898
201 HE3 LYS 24 HE1 LYS 24 5.745 18.906 -2.354
202 HZ1 LYS 24 HZ1 LYS 24 4.570 17.782 -3.895
203 HZ2 LYS 24 HZ2 LYS 24 3.598 19.166 -3.880
204 HZ3 LYS 24 HZ3 LYS 24 3.135 17.798 -3.000
205 H LYS 25 HN LYS 25 4.181 13.741 1.655
206 HA LYS 25 HA LYS 25 5.523 13.046 4.078
207 HB2 LYS 25 HB2 LYS 25 4.982 15.646 4.082
208 HB3 LYS 25 HB1 LYS 25 3.388 15.074 4.553
209 HG2 LYS 25 HG2 LYS 25 4.513 15.523 6.558
210 HG3 LYS 25 HG1 LYS 25 4.552 13.768 6.385
211 HD2 LYS 25 HD2 LYS 25 6.782 13.745 6.351
212 HD3 LYS 25 HD1 LYS 25 6.838 15.001 5.113
213 HE2 LYS 25 HE2 LYS 25 7.867 16.122 6.805
214 HE3 LYS 25 HE1 LYS 25 6.194 16.535 7.177
215 HZ1 LYS 25 HZ1 LYS 25 7.564 15.751 9.100
216 HZ2 LYS 25 HZ2 LYS 25 7.592 14.218 8.386
217 HZ3 LYS 25 HZ3 LYS 25 6.120 14.901 8.863
Start of MODEL 6
1 H1 LYS 1 HT1 LYS 1 -13.942 -6.706 -5.552
2 H2 LYS 1 HT2 LYS 1 -14.561 -7.243 -4.044
3 H3 LYS 1 HT3 LYS 1 -14.464 -8.329 -5.369
4 HA LYS 1 HA LYS 1 -12.156 -8.351 -5.317
5 HB2 LYS 1 HB2 LYS 1 -12.593 -5.811 -4.031
6 HB3 LYS 1 HB1 LYS 1 -11.515 -6.791 -3.047
7 HG2 LYS 1 HG2 LYS 1 -10.136 -5.536 -4.479
8 HG3 LYS 1 HG1 LYS 1 -10.153 -7.174 -5.136
9 HD2 LYS 1 HD2 LYS 1 -10.415 -5.749 -6.995
10 HD3 LYS 1 HD1 LYS 1 -12.029 -6.380 -6.658
11 HE2 LYS 1 HE2 LYS 1 -12.488 -4.148 -6.932
12 HE3 LYS 1 HE1 LYS 1 -12.232 -4.222 -5.189
13 HZ1 LYS 1 HZ1 LYS 1 -10.209 -3.395 -7.201
14 HZ2 LYS 1 HZ2 LYS 1 -9.958 -3.472 -5.531
15 HZ3 LYS 1 HZ3 LYS 1 -11.059 -2.358 -6.169
16 H LYS 2 HN LYS 2 -10.965 -9.696 -3.917
17 HA LYS 2 HA LYS 2 -12.097 -10.359 -1.319
18 HB2 LYS 2 HB2 LYS 2 -12.619 -11.958 -3.678
19 HB3 LYS 2 HB1 LYS 2 -11.601 -12.888 -2.578
20 HG2 LYS 2 HG2 LYS 2 -13.805 -11.535 -1.228
21 HG3 LYS 2 HG1 LYS 2 -14.335 -12.677 -2.464
22 HD2 LYS 2 HD2 LYS 2 -14.137 -14.159 -0.765
23 HD3 LYS 2 HD1 LYS 2 -12.443 -14.157 -1.258
24 HE2 LYS 2 HE2 LYS 2 -13.095 -12.011 0.604
25 HE3 LYS 2 HE1 LYS 2 -13.399 -13.616 1.268
26 HZ1 LYS 2 HZ1 LYS 2 -11.123 -14.230 0.674
27 HZ2 LYS 2 HZ2 LYS 2 -11.153 -12.917 1.740
28 HZ3 LYS 2 HZ3 LYS 2 -10.841 -12.665 0.097
29 H SER 3 HN SER 3 -9.843 -11.897 -3.637
30 HA SER 3 HA SER 3 -7.891 -12.275 -1.543
31 HB2 SER 3 HB2 SER 3 -8.358 -13.891 -3.480
32 HB3 SER 3 HB1 SER 3 -7.443 -12.768 -4.486
33 HG SER 3 HG SER 3 -5.843 -13.974 -3.783
34 H HIS 4 HN HIS 4 -8.127 -10.391 -4.542
35 HA HIS 4 HA HIS 4 -5.618 -9.199 -4.518
36 HB2 HIS 4 HB2 HIS 4 -8.268 -8.504 -5.678
37 HB3 HIS 4 HB1 HIS 4 -7.053 -7.231 -5.624
38 HD1 HIS 4 HD1 HIS 4 -8.011 -10.290 -7.438
39 HD2 HIS 4 HD2 HIS 4 -4.702 -7.791 -7.172
40 HE1 HIS 4 HE1 HIS 4 -6.568 -10.873 -9.413
41 HE2 HIS 4 HE2 HIS 4 -4.523 -9.421 -9.172
42 H THR 5 HN THR 5 -8.472 -8.457 -2.647
43 HA THR 5 HA THR 5 -7.473 -5.921 -1.717
44 HB THR 5 HB THR 5 -9.854 -6.170 -1.903
45 HG1 THR 5 HG1 THR 5 -9.239 -6.285 0.858
46 HG21 THR 5 HG21 THR 5 -11.061 -7.723 -0.319
47 HG22 THR 5 HG22 THR 5 -9.520 -8.558 -0.121
48 HG23 THR 5 HG23 THR 5 -10.277 -8.469 -1.711
49 H ALA 6 HN ALA 6 -7.653 -9.218 -0.518
50 HA ALA 6 HA ALA 6 -6.976 -8.817 2.146
51 HB1 ALA 6 HB1 ALA 6 -7.690 -10.971 1.472
52 HB2 ALA 6 HB2 ALA 6 -6.018 -11.150 2.007
53 HB3 ALA 6 HB3 ALA 6 -6.393 -11.107 0.285
54 H SER 7 HN SER 7 -4.648 -10.135 -0.182
55 HA SER 7 HA SER 7 -2.356 -9.356 1.293
56 HB2 SER 7 HB2 SER 7 -2.845 -10.394 -1.479
57 HB3 SER 7 HB1 SER 7 -1.248 -9.781 -1.049
58 HG SER 7 HG SER 7 -1.326 -11.975 -0.607
59 H TYR 8 HN TYR 8 -4.444 -7.265 -0.254
60 HA TYR 8 HA TYR 8 -2.426 -5.688 -1.486
61 HB2 TYR 8 HB2 TYR 8 -4.084 -4.570 -2.388
62 HB3 TYR 8 HB1 TYR 8 -5.245 -5.530 -1.463
63 HD1 TYR 8 HD1 TYR 8 -5.112 -2.544 -2.519
64 HD2 TYR 8 HD2 TYR 8 -4.638 -4.372 1.318
65 HE1 TYR 8 HE1 TYR 8 -5.757 -0.433 -1.450
66 HE2 TYR 8 HE2 TYR 8 -5.272 -2.222 2.378
67 HH TYR 8 HH TYR 8 -6.500 -0.206 1.875
68 H LEU 9 HN LEU 9 -3.835 -5.868 1.723
69 HA LEU 9 HA LEU 9 -2.591 -3.440 2.501
70 HB2 LEU 9 HB2 LEU 9 -4.191 -5.475 3.831
71 HB3 LEU 9 HB1 LEU 9 -2.917 -4.827 4.848
72 HG LEU 9 HG LEU 9 -4.173 -2.620 3.566
73 HD11 LEU 9 HD11 LEU 9 -6.462 -2.845 4.362
74 HD12 LEU 9 HD12 LEU 9 -6.128 -4.480 4.933
75 HD13 LEU 9 HD13 LEU 9 -6.087 -4.123 3.206
76 HD21 LEU 9 HD21 LEU 9 -3.009 -2.942 5.863
77 HD22 LEU 9 HD22 LEU 9 -4.611 -3.417 6.427
78 HD23 LEU 9 HD23 LEU 9 -4.358 -1.814 5.737
79 H ARG 10 HN ARG 10 -1.589 -6.325 1.564
80 HA ARG 10 HA ARG 10 0.769 -6.602 3.168
81 HB2 ARG 10 HB2 ARG 10 -0.368 -8.330 0.987
82 HB3 ARG 10 HB1 ARG 10 1.020 -8.726 1.978
83 HG2 ARG 10 HG2 ARG 10 -1.050 -9.871 2.685
84 HG3 ARG 10 HG1 ARG 10 -0.332 -8.878 3.945
85 HD2 ARG 10 HD2 ARG 10 -2.507 -7.641 2.269
86 HD3 ARG 10 HD1 ARG 10 -2.944 -8.864 3.459
87 HE ARG 10 HE ARG 10 -2.213 -6.200 3.970
88 HH11 ARG 10 HH11 ARG 10 -1.911 -9.438 5.237
89 HH12 ARG 10 HH12 ARG 10 -1.666 -8.923 6.872
90 HH21 ARG 10 HH21 ARG 10 -1.873 -5.515 6.150
91 HH22 ARG 10 HH22 ARG 10 -1.650 -6.701 7.389
92 H LEU 11 HN LEU 11 -0.344 -5.600 0.054
93 HA LEU 11 HA LEU 11 2.368 -5.263 -1.052
94 HB2 LEU 11 HB2 LEU 11 1.406 -5.702 -3.041
95 HB3 LEU 11 HB1 LEU 11 -0.041 -6.125 -2.159
96 HG LEU 11 HG LEU 11 0.023 -3.237 -2.705
97 HD11 LEU 11 HD11 LEU 11 0.133 -5.122 -5.060
98 HD12 LEU 11 HD12 LEU 11 1.341 -3.907 -4.644
99 HD13 LEU 11 HD13 LEU 11 -0.284 -3.410 -5.115
100 HD21 LEU 11 HD21 LEU 11 -2.007 -4.194 -2.085
101 HD22 LEU 11 HD22 LEU 11 -1.814 -5.560 -3.189
102 HD23 LEU 11 HD23 LEU 11 -2.156 -3.951 -3.828
103 H TRP 12 HN TRP 12 -0.660 -3.633 -1.046
104 HA TRP 12 HA TRP 12 0.004 -1.126 -1.694
105 HB2 TRP 12 HB2 TRP 12 -2.187 -1.198 -1.737
106 HB3 TRP 12 HB1 TRP 12 -2.239 -2.535 -0.613
107 HD1 TRP 12 HD1 TRP 12 -3.341 0.760 -1.031
108 HE1 TRP 12 HE1 TRP 12 -4.164 1.831 1.184
109 HE3 TRP 12 HE3 TRP 12 -1.231 -2.503 2.149
110 HZ2 TRP 12 HZ2 TRP 12 -3.919 1.260 3.962
111 HZ3 TRP 12 HZ3 TRP 12 -1.551 -2.248 4.566
112 HH2 TRP 12 HH2 TRP 12 -2.858 -0.375 5.463
113 H ALA 13 HN ALA 13 0.645 -2.739 1.279
114 HA ALA 13 HA ALA 13 0.860 -0.391 2.914
115 HB1 ALA 13 HB1 ALA 13 2.170 -2.152 4.374
116 HB2 ALA 13 HB2 ALA 13 1.405 -3.292 3.266
117 HB3 ALA 13 HB3 ALA 13 0.412 -2.205 4.238
118 H LEU 14 HN LEU 14 3.235 -2.723 1.658
119 HA LEU 14 HA LEU 14 5.507 -1.234 2.368
120 HB2 LEU 14 HB2 LEU 14 5.068 -3.711 1.329
121 HB3 LEU 14 HB1 LEU 14 5.705 -2.874 -0.074
122 HG LEU 14 HG LEU 14 7.472 -4.037 1.140
123 HD11 LEU 14 HD11 LEU 14 7.625 -1.585 0.101
124 HD12 LEU 14 HD12 LEU 14 9.004 -2.399 0.841
125 HD13 LEU 14 HD13 LEU 14 8.081 -1.212 1.763
126 HD21 LEU 14 HD21 LEU 14 7.535 -2.247 3.436
127 HD22 LEU 14 HD22 LEU 14 7.714 -3.999 3.359
128 HD23 LEU 14 HD23 LEU 14 6.105 -3.279 3.406
129 H SER 15 HN SER 15 3.280 -0.944 -0.262
130 HA SER 15 HA SER 15 5.059 0.823 -1.757
131 HB2 SER 15 HB2 SER 15 2.240 0.008 -2.481
132 HB3 SER 15 HB1 SER 15 3.470 0.692 -3.544
133 HG SER 15 HG SER 15 3.071 -1.718 -3.504
134 H LEU 16 HN LEU 16 2.723 1.065 0.667
135 HA LEU 16 HA LEU 16 1.376 3.421 -0.096
136 HB2 LEU 16 HB2 LEU 16 1.230 1.658 2.016
137 HB3 LEU 16 HB1 LEU 16 1.817 3.121 2.781
138 HG LEU 16 HG LEU 16 -0.120 4.346 1.764
139 HD11 LEU 16 HD11 LEU 16 -0.475 2.591 -0.023
140 HD12 LEU 16 HD12 LEU 16 -1.924 3.184 0.789
141 HD13 LEU 16 HD13 LEU 16 -1.250 1.614 1.225
142 HD21 LEU 16 HD21 LEU 16 -0.143 3.603 4.089
143 HD22 LEU 16 HD22 LEU 16 -0.790 2.040 3.588
144 HD23 LEU 16 HD23 LEU 16 -1.751 3.503 3.371
145 H ALA 17 HN ALA 17 4.461 2.843 1.438
146 HA ALA 17 HA ALA 17 4.831 5.730 1.915
147 HB1 ALA 17 HB1 ALA 17 6.865 3.621 2.654
148 HB2 ALA 17 HB2 ALA 17 5.524 4.082 3.715
149 HB3 ALA 17 HB3 ALA 17 6.726 5.275 3.241
150 H HIS 18 HN HIS 18 5.498 3.479 -0.502
151 HA HIS 18 HA HIS 18 8.018 4.289 -1.398
152 HB2 HIS 18 HB2 HIS 18 7.642 2.962 -3.223
153 HB3 HIS 18 HB1 HIS 18 6.397 2.336 -2.152
154 HD1 HIS 18 HD1 HIS 18 4.311 4.652 -2.661
155 HD2 HIS 18 HD2 HIS 18 6.333 2.511 -5.588
156 HE1 HIS 18 HE1 HIS 18 2.896 4.844 -4.729
157 HE2 HIS 18 HE2 HIS 18 4.094 3.467 -6.463
158 H ALA 19 HN ALA 19 5.050 5.997 -1.458
159 HA ALA 19 HA ALA 19 5.998 7.785 -3.580
160 HB1 ALA 19 HB1 ALA 19 3.402 6.907 -2.713
161 HB2 ALA 19 HB2 ALA 19 3.860 7.777 -4.176
162 HB3 ALA 19 HB3 ALA 19 3.493 8.668 -2.699
163 H GLN 20 HN GLN 20 5.182 7.712 -0.163
164 HA GLN 20 HA GLN 20 5.450 10.532 0.229
165 HB2 GLN 20 HB2 GLN 20 5.145 8.150 2.004
166 HB3 GLN 20 HB1 GLN 20 5.704 9.660 2.710
167 HG2 GLN 20 HG2 GLN 20 3.700 10.668 2.491
168 HG3 GLN 20 HG1 GLN 20 3.319 9.832 0.986
169 HE21 GLN 20 HE21 GLN 20 3.069 7.369 1.344
170 HE22 GLN 20 HE22 GLN 20 2.052 6.922 2.667
171 H LEU 21 HN LEU 21 7.660 7.917 -0.008
172 HA LEU 21 HA LEU 21 9.759 9.023 1.567
173 HB2 LEU 21 HB2 LEU 21 9.640 6.876 -0.532
174 HB3 LEU 21 HB1 LEU 21 11.165 7.382 0.170
175 HG LEU 21 HG LEU 21 8.882 6.443 1.886
176 HD11 LEU 21 HD11 LEU 21 9.446 4.719 0.180
177 HD12 LEU 21 HD12 LEU 21 9.760 4.221 1.843
178 HD13 LEU 21 HD13 LEU 21 11.097 4.714 0.802
179 HD21 LEU 21 HD21 LEU 21 11.165 5.726 3.121
180 HD22 LEU 21 HD22 LEU 21 10.356 7.272 3.376
181 HD23 LEU 21 HD23 LEU 21 11.715 7.162 2.257
182 H SER 22 HN SER 22 8.924 9.109 -1.859
183 HA SER 22 HA SER 22 11.268 10.433 -2.724
184 HB2 SER 22 HB2 SER 22 8.734 9.597 -3.883
185 HB3 SER 22 HB1 SER 22 9.256 11.160 -4.512
186 HG SER 22 HG SER 22 10.097 9.370 -5.702
187 H SER 23 HN SER 23 8.376 11.528 -1.179
188 HA SER 23 HA SER 23 9.311 14.306 -1.467
189 HB2 SER 23 HB2 SER 23 7.104 13.589 -2.683
190 HB3 SER 23 HB1 SER 23 6.405 13.680 -1.066
191 HG SER 23 HG SER 23 7.263 15.694 -2.741
192 H LYS 24 HN LYS 24 9.786 12.238 0.622
193 HA LYS 24 HA LYS 24 8.253 12.819 2.919
194 HB2 LYS 24 HB2 LYS 24 10.150 10.965 2.296
195 HB3 LYS 24 HB1 LYS 24 11.059 12.030 3.359
196 HG2 LYS 24 HG2 LYS 24 9.431 11.725 5.117
197 HG3 LYS 24 HG1 LYS 24 8.428 10.741 4.050
198 HD2 LYS 24 HD2 LYS 24 10.602 9.302 3.825
199 HD3 LYS 24 HD1 LYS 24 11.038 10.085 5.345
200 HE2 LYS 24 HE2 LYS 24 9.884 7.886 5.606
201 HE3 LYS 24 HE1 LYS 24 9.093 9.229 6.430
202 HZ1 LYS 24 HZ1 LYS 24 8.205 8.680 3.715
203 HZ2 LYS 24 HZ2 LYS 24 7.309 9.123 5.080
204 HZ3 LYS 24 HZ3 LYS 24 7.802 7.518 4.878
205 H LYS 25 HN LYS 25 8.709 14.118 4.713
206 HA LYS 25 HA LYS 25 9.339 16.027 5.772
207 HB2 LYS 25 HB2 LYS 25 11.790 14.869 4.685
208 HB3 LYS 25 HB1 LYS 25 11.908 16.606 4.931
209 HG2 LYS 25 HG2 LYS 25 12.056 16.380 7.136
210 HG3 LYS 25 HG1 LYS 25 10.685 15.271 7.193
211 HD2 LYS 25 HD2 LYS 25 13.415 14.407 6.274
212 HD3 LYS 25 HD1 LYS 25 12.934 14.366 7.972
213 HE2 LYS 25 HE2 LYS 25 10.911 13.017 7.171
214 HE3 LYS 25 HE1 LYS 25 11.798 12.822 5.660
215 HZ1 LYS 25 HZ1 LYS 25 13.501 11.651 6.742
216 HZ2 LYS 25 HZ2 LYS 25 12.068 11.005 7.365
217 HZ3 LYS 25 HZ3 LYS 25 12.968 12.104 8.283
Start of MODEL 7
1 H1 LYS 1 HT1 LYS 1 -15.162 -4.999 -1.777
2 H2 LYS 1 HT2 LYS 1 -15.949 -6.154 -2.773
3 H3 LYS 1 HT3 LYS 1 -14.326 -5.702 -3.098
4 HA LYS 1 HA LYS 1 -13.791 -6.549 -0.830
5 HB2 LYS 1 HB2 LYS 1 -16.562 -7.671 -1.267
6 HB3 LYS 1 HB1 LYS 1 -15.430 -8.320 -0.089
7 HG2 LYS 1 HG2 LYS 1 -15.386 -6.157 1.055
8 HG3 LYS 1 HG1 LYS 1 -16.538 -5.520 -0.121
9 HD2 LYS 1 HD2 LYS 1 -17.050 -7.875 1.694
10 HD3 LYS 1 HD1 LYS 1 -17.598 -6.226 2.004
11 HE2 LYS 1 HE2 LYS 1 -18.520 -6.608 -0.514
12 HE3 LYS 1 HE1 LYS 1 -18.626 -8.247 0.128
13 HZ1 LYS 1 HZ1 LYS 1 -19.668 -6.036 1.749
14 HZ2 LYS 1 HZ2 LYS 1 -20.186 -7.643 1.662
15 HZ3 LYS 1 HZ3 LYS 1 -20.581 -6.561 0.424
16 H LYS 2 HN LYS 2 -12.128 -7.536 -1.820
17 HA LYS 2 HA LYS 2 -12.584 -10.158 -2.966
18 HB2 LYS 2 HB2 LYS 2 -12.258 -7.867 -4.679
19 HB3 LYS 2 HB1 LYS 2 -10.786 -8.830 -4.796
20 HG2 LYS 2 HG2 LYS 2 -13.107 -10.531 -4.909
21 HG3 LYS 2 HG1 LYS 2 -13.215 -9.248 -6.115
22 HD2 LYS 2 HD2 LYS 2 -11.635 -10.189 -7.379
23 HD3 LYS 2 HD1 LYS 2 -10.552 -10.386 -6.000
24 HE2 LYS 2 HE2 LYS 2 -10.903 -12.575 -6.602
25 HE3 LYS 2 HE1 LYS 2 -12.166 -12.351 -5.392
26 HZ1 LYS 2 HZ1 LYS 2 -13.755 -11.963 -7.162
27 HZ2 LYS 2 HZ2 LYS 2 -13.000 -13.462 -7.375
28 HZ3 LYS 2 HZ3 LYS 2 -12.546 -12.144 -8.332
29 H SER 3 HN SER 3 -10.079 -10.596 -4.048
30 HA SER 3 HA SER 3 -8.490 -10.805 -1.657
31 HB2 SER 3 HB2 SER 3 -6.835 -11.846 -3.397
32 HB3 SER 3 HB1 SER 3 -8.309 -12.717 -2.975
33 HG SER 3 HG SER 3 -7.775 -11.185 -5.291
34 H HIS 4 HN HIS 4 -8.595 -8.766 -4.462
35 HA HIS 4 HA HIS 4 -5.989 -7.793 -4.551
36 HB2 HIS 4 HB2 HIS 4 -8.507 -7.150 -5.720
37 HB3 HIS 4 HB1 HIS 4 -7.788 -5.654 -5.134
38 HD1 HIS 4 HD1 HIS 4 -7.356 -4.832 -7.542
39 HD2 HIS 4 HD2 HIS 4 -5.425 -8.387 -6.592
40 HE1 HIS 4 HE1 HIS 4 -5.682 -5.199 -9.381
41 HE2 HIS 4 HE2 HIS 4 -4.463 -7.308 -8.738
42 H THR 5 HN THR 5 -8.437 -7.243 -2.180
43 HA THR 5 HA THR 5 -7.124 -4.834 -1.193
44 HB THR 5 HB THR 5 -9.489 -4.660 -1.162
45 HG1 THR 5 HG1 THR 5 -9.539 -3.925 0.794
46 HG21 THR 5 HG21 THR 5 -10.374 -6.789 -1.331
47 HG22 THR 5 HG22 THR 5 -10.818 -6.295 0.303
48 HG23 THR 5 HG23 THR 5 -9.458 -7.389 0.050
49 H ALA 6 HN ALA 6 -7.674 -8.190 -0.292
50 HA ALA 6 HA ALA 6 -6.719 -8.108 2.334
51 HB1 ALA 6 HB1 ALA 6 -5.954 -10.579 1.135
52 HB2 ALA 6 HB2 ALA 6 -7.521 -10.097 0.488
53 HB3 ALA 6 HB3 ALA 6 -7.297 -10.250 2.230
54 H SER 7 HN SER 7 -4.910 -9.531 -0.367
55 HA SER 7 HA SER 7 -2.369 -9.277 0.887
56 HB2 SER 7 HB2 SER 7 -3.291 -9.930 -1.904
57 HB3 SER 7 HB1 SER 7 -1.577 -9.716 -1.545
58 HG SER 7 HG SER 7 -1.615 -11.458 -0.243
59 H TYR 8 HN TYR 8 -4.232 -6.749 -0.226
60 HA TYR 8 HA TYR 8 -2.099 -5.407 -1.571
61 HB2 TYR 8 HB2 TYR 8 -3.616 -3.955 -2.220
62 HB3 TYR 8 HB1 TYR 8 -4.842 -4.825 -1.290
63 HD1 TYR 8 HD1 TYR 8 -4.397 -1.802 -2.074
64 HD2 TYR 8 HD2 TYR 8 -3.807 -4.044 1.516
65 HE1 TYR 8 HE1 TYR 8 -4.644 0.256 -0.764
66 HE2 TYR 8 HE2 TYR 8 -4.032 -1.953 2.820
67 HH TYR 8 HH TYR 8 -4.081 0.320 2.700
68 H LEU 9 HN LEU 9 -3.230 -5.676 1.731
69 HA LEU 9 HA LEU 9 -1.588 -3.523 2.576
70 HB2 LEU 9 HB2 LEU 9 -3.342 -5.438 3.890
71 HB3 LEU 9 HB1 LEU 9 -1.904 -5.072 4.824
72 HG LEU 9 HG LEU 9 -2.920 -2.597 3.881
73 HD11 LEU 9 HD11 LEU 9 -5.155 -2.543 4.388
74 HD12 LEU 9 HD12 LEU 9 -5.061 -3.925 5.479
75 HD13 LEU 9 HD13 LEU 9 -5.028 -4.176 3.734
76 HD21 LEU 9 HD21 LEU 9 -3.021 -2.064 6.204
77 HD22 LEU 9 HD22 LEU 9 -1.628 -3.120 5.968
78 HD23 LEU 9 HD23 LEU 9 -3.118 -3.766 6.657
79 H ARG 10 HN ARG 10 -1.083 -6.400 1.297
80 HA ARG 10 HA ARG 10 1.322 -7.159 2.650
81 HB2 ARG 10 HB2 ARG 10 -0.208 -8.445 0.409
82 HB3 ARG 10 HB1 ARG 10 1.186 -9.138 1.210
83 HG2 ARG 10 HG2 ARG 10 -0.956 -10.080 1.993
84 HG3 ARG 10 HG1 ARG 10 -0.009 -9.340 3.276
85 HD2 ARG 10 HD2 ARG 10 -2.121 -7.654 1.946
86 HD3 ARG 10 HD1 ARG 10 -2.625 -8.935 3.042
87 HE ARG 10 HE ARG 10 -1.463 -6.456 3.736
88 HH11 ARG 10 HH11 ARG 10 -1.657 -9.810 4.689
89 HH12 ARG 10 HH12 ARG 10 -1.297 -9.497 6.353
90 HH21 ARG 10 HH21 ARG 10 -0.968 -6.046 5.951
91 HH22 ARG 10 HH22 ARG 10 -0.913 -7.366 7.068
92 H LEU 11 HN LEU 11 0.110 -5.880 -0.350
93 HA LEU 11 HA LEU 11 2.732 -5.706 -1.644
94 HB2 LEU 11 HB2 LEU 11 1.521 -5.796 -3.540
95 HB3 LEU 11 HB1 LEU 11 0.120 -6.090 -2.541
96 HG LEU 11 HG LEU 11 0.572 -3.203 -2.836
97 HD11 LEU 11 HD11 LEU 11 0.014 -3.086 -5.208
98 HD12 LEU 11 HD12 LEU 11 0.184 -4.836 -5.345
99 HD13 LEU 11 HD13 LEU 11 1.587 -3.842 -4.956
100 HD21 LEU 11 HD21 LEU 11 -1.520 -3.833 -2.116
101 HD22 LEU 11 HD22 LEU 11 -1.615 -5.201 -3.229
102 HD23 LEU 11 HD23 LEU 11 -1.792 -3.556 -3.839
103 H TRP 12 HN TRP 12 0.002 -3.673 -1.140
104 HA TRP 12 HA TRP 12 0.984 -1.228 -1.617
105 HB2 TRP 12 HB2 TRP 12 -1.189 -0.996 -1.448
106 HB3 TRP 12 HB1 TRP 12 -1.341 -2.414 -0.441
107 HD1 TRP 12 HD1 TRP 12 -2.002 1.023 -0.471
108 HE1 TRP 12 HE1 TRP 12 -2.459 1.976 1.901
109 HE3 TRP 12 HE3 TRP 12 -0.097 -2.784 2.203
110 HZ2 TRP 12 HZ2 TRP 12 -2.053 1.114 4.583
111 HZ3 TRP 12 HZ3 TRP 12 -0.166 -2.722 4.654
112 HH2 TRP 12 HH2 TRP 12 -1.110 -0.786 5.830
113 H ALA 13 HN ALA 13 1.786 -3.219 1.046
114 HA ALA 13 HA ALA 13 2.378 -1.129 2.914
115 HB1 ALA 13 HB1 ALA 13 2.622 -4.064 2.845
116 HB2 ALA 13 HB2 ALA 13 2.053 -3.003 4.133
117 HB3 ALA 13 HB3 ALA 13 3.783 -3.215 3.864
118 H LEU 14 HN LEU 14 4.352 -3.287 0.884
119 HA LEU 14 HA LEU 14 6.755 -1.798 1.505
120 HB2 LEU 14 HB2 LEU 14 6.135 -4.376 0.495
121 HB3 LEU 14 HB1 LEU 14 7.117 -3.567 -0.711
122 HG LEU 14 HG LEU 14 8.536 -4.852 0.758
123 HD11 LEU 14 HD11 LEU 14 9.862 -3.122 0.192
124 HD12 LEU 14 HD12 LEU 14 9.702 -2.709 1.899
125 HD13 LEU 14 HD13 LEU 14 8.684 -1.912 0.700
126 HD21 LEU 14 HD21 LEU 14 7.248 -3.266 2.973
127 HD22 LEU 14 HD22 LEU 14 8.693 -4.259 3.169
128 HD23 LEU 14 HD23 LEU 14 7.162 -5.008 2.715
129 H SER 15 HN SER 15 4.267 -1.583 -0.818
130 HA SER 15 HA SER 15 5.950 -0.212 -2.767
131 HB2 SER 15 HB2 SER 15 2.990 -0.570 -3.076
132 HB3 SER 15 HB1 SER 15 4.240 -0.506 -4.318
133 HG SER 15 HG SER 15 3.185 -2.648 -3.394
134 H LEU 16 HN LEU 16 2.990 0.423 -0.894
135 HA LEU 16 HA LEU 16 2.890 3.173 -1.639
136 HB2 LEU 16 HB2 LEU 16 1.008 1.561 -0.791
137 HB3 LEU 16 HB1 LEU 16 1.513 2.123 0.792
138 HG LEU 16 HG LEU 16 1.161 4.494 -0.142
139 HD11 LEU 16 HD11 LEU 16 -0.865 4.154 -1.887
140 HD12 LEU 16 HD12 LEU 16 0.188 2.819 -2.355
141 HD13 LEU 16 HD13 LEU 16 0.804 4.471 -2.362
142 HD21 LEU 16 HD21 LEU 16 -0.410 2.843 1.313
143 HD22 LEU 16 HD22 LEU 16 -1.476 3.194 -0.048
144 HD23 LEU 16 HD23 LEU 16 -0.822 4.513 0.923
145 H ALA 17 HN ALA 17 4.970 1.601 0.400
146 HA ALA 17 HA ALA 17 5.116 3.811 2.330
147 HB1 ALA 17 HB1 ALA 17 6.598 2.547 3.674
148 HB2 ALA 17 HB2 ALA 17 6.910 1.378 2.397
149 HB3 ALA 17 HB3 ALA 17 5.323 1.438 3.181
150 H HIS 18 HN HIS 18 7.115 2.276 -0.155
151 HA HIS 18 HA HIS 18 9.372 3.927 0.215
152 HB2 HIS 18 HB2 HIS 18 10.089 3.158 -1.992
153 HB3 HIS 18 HB1 HIS 18 9.477 1.818 -1.033
154 HD1 HIS 18 HD1 HIS 18 7.759 4.257 -3.423
155 HD2 HIS 18 HD2 HIS 18 8.139 0.189 -2.680
156 HE1 HIS 18 HE1 HIS 18 6.310 3.125 -5.136
157 HE2 HIS 18 HE2 HIS 18 6.599 0.660 -4.703
158 H ALA 19 HN ALA 19 6.306 4.543 -1.192
159 HA ALA 19 HA ALA 19 7.123 6.630 -2.968
160 HB1 ALA 19 HB1 ALA 19 4.533 5.544 -2.005
161 HB2 ALA 19 HB2 ALA 19 5.115 5.793 -3.651
162 HB3 ALA 19 HB3 ALA 19 4.548 7.166 -2.699
163 H GLN 20 HN GLN 20 5.978 6.480 0.357
164 HA GLN 20 HA GLN 20 5.654 9.289 0.673
165 HB2 GLN 20 HB2 GLN 20 5.843 6.980 2.585
166 HB3 GLN 20 HB1 GLN 20 5.789 8.638 3.170
167 HG2 GLN 20 HG2 GLN 20 3.632 8.985 2.327
168 HG3 GLN 20 HG1 GLN 20 3.715 7.556 1.297
169 HE21 GLN 20 HE21 GLN 20 4.475 5.583 2.870
170 HE22 GLN 20 HE22 GLN 20 3.373 5.341 4.179
171 H LEU 21 HN LEU 21 8.414 7.388 0.388
172 HA LEU 21 HA LEU 21 10.074 8.970 2.148
173 HB2 LEU 21 HB2 LEU 21 10.563 6.667 0.293
174 HB3 LEU 21 HB1 LEU 21 11.909 7.584 0.944
175 HG LEU 21 HG LEU 21 9.879 6.502 2.844
176 HD11 LEU 21 HD11 LEU 21 12.120 4.700 2.336
177 HD12 LEU 21 HD12 LEU 21 10.973 4.804 1.001
178 HD13 LEU 21 HD13 LEU 21 10.414 4.345 2.610
179 HD21 LEU 21 HD21 LEU 21 11.509 6.782 4.398
180 HD22 LEU 21 HD22 LEU 21 12.057 7.986 3.231
181 HD23 LEU 21 HD23 LEU 21 12.807 6.391 3.270
182 H SER 22 HN SER 22 9.063 9.031 -1.137
183 HA SER 22 HA SER 22 11.284 10.596 -2.095
184 HB2 SER 22 HB2 SER 22 9.844 9.016 -3.500
185 HB3 SER 22 HB1 SER 22 8.610 10.275 -3.458
186 HG SER 22 HG SER 22 10.177 10.252 -5.288
187 H SER 23 HN SER 23 8.132 11.183 -0.741
188 HA SER 23 HA SER 23 8.707 13.907 -0.223
189 HB2 SER 23 HB2 SER 23 8.233 14.288 -2.550
190 HB3 SER 23 HB1 SER 23 6.766 13.313 -2.465
191 HG SER 23 HG SER 23 5.999 15.314 -2.250
192 H LYS 24 HN LYS 24 7.963 13.804 1.807
193 HA LYS 24 HA LYS 24 5.639 12.312 2.541
194 HB2 LYS 24 HB2 LYS 24 7.812 13.592 3.880
195 HB3 LYS 24 HB1 LYS 24 6.312 14.185 4.578
196 HG2 LYS 24 HG2 LYS 24 5.742 12.155 5.436
197 HG3 LYS 24 HG1 LYS 24 6.586 11.259 4.171
198 HD2 LYS 24 HD2 LYS 24 8.614 11.400 5.235
199 HD3 LYS 24 HD1 LYS 24 8.194 12.898 6.067
200 HE2 LYS 24 HE2 LYS 24 6.485 10.697 6.867
201 HE3 LYS 24 HE1 LYS 24 8.190 10.340 7.144
202 HZ1 LYS 24 HZ1 LYS 24 6.864 12.829 8.064
203 HZ2 LYS 24 HZ2 LYS 24 8.411 12.281 8.472
204 HZ3 LYS 24 HZ3 LYS 24 7.046 11.452 9.030
205 H LYS 25 HN LYS 25 6.336 15.800 2.851
206 HA LYS 25 HA LYS 25 3.632 16.408 1.945
207 HB2 LYS 25 HB2 LYS 25 4.713 17.357 4.606
208 HB3 LYS 25 HB1 LYS 25 3.208 17.891 3.871
209 HG2 LYS 25 HG2 LYS 25 3.780 15.028 4.592
210 HG3 LYS 25 HG1 LYS 25 2.964 16.169 5.663
211 HD2 LYS 25 HD2 LYS 25 1.280 16.535 3.845
212 HD3 LYS 25 HD1 LYS 25 2.042 15.214 2.956
213 HE2 LYS 25 HE2 LYS 25 1.488 13.646 4.664
214 HE3 LYS 25 HE1 LYS 25 0.963 14.930 5.753
215 HZ1 LYS 25 HZ1 LYS 25 -0.646 15.380 3.704
216 HZ2 LYS 25 HZ2 LYS 25 -1.045 14.321 4.961
217 HZ3 LYS 25 HZ3 LYS 25 -0.433 13.712 3.507
Start of MODEL 8
1 H1 LYS 1 HT1 LYS 1 -13.136 -4.168 -4.548
2 H2 LYS 1 HT2 LYS 1 -13.154 -2.556 -3.959
3 H3 LYS 1 HT3 LYS 1 -14.270 -3.708 -3.348
4 HA LYS 1 HA LYS 1 -11.357 -3.986 -3.102
5 HB2 LYS 1 HB2 LYS 1 -13.383 -2.620 -1.334
6 HB3 LYS 1 HB1 LYS 1 -11.856 -3.225 -0.705
7 HG2 LYS 1 HG2 LYS 1 -10.640 -1.592 -1.696
8 HG3 LYS 1 HG1 LYS 1 -11.720 -1.476 -3.086
9 HD2 LYS 1 HD2 LYS 1 -12.709 -0.610 -0.410
10 HD3 LYS 1 HD1 LYS 1 -11.608 0.447 -1.296
11 HE2 LYS 1 HE2 LYS 1 -13.979 -0.700 -2.697
12 HE3 LYS 1 HE1 LYS 1 -14.206 0.658 -1.595
13 HZ1 LYS 1 HZ1 LYS 1 -12.889 2.035 -2.900
14 HZ2 LYS 1 HZ2 LYS 1 -13.775 1.160 -4.044
15 HZ3 LYS 1 HZ3 LYS 1 -12.165 0.749 -3.729
16 H LYS 2 HN LYS 2 -11.154 -6.141 -3.011
17 HA LYS 2 HA LYS 2 -12.487 -7.560 -0.863
18 HB2 LYS 2 HB2 LYS 2 -13.507 -7.709 -3.547
19 HB3 LYS 2 HB1 LYS 2 -12.747 -9.259 -3.188
20 HG2 LYS 2 HG2 LYS 2 -14.166 -9.636 -1.338
21 HG3 LYS 2 HG1 LYS 2 -14.740 -7.967 -1.342
22 HD2 LYS 2 HD2 LYS 2 -15.370 -8.785 -3.870
23 HD3 LYS 2 HD1 LYS 2 -15.609 -10.266 -2.941
24 HE2 LYS 2 HE2 LYS 2 -16.847 -8.551 -1.315
25 HE3 LYS 2 HE1 LYS 2 -17.074 -7.691 -2.837
26 HZ1 LYS 2 HZ1 LYS 2 -18.931 -9.105 -2.539
27 HZ2 LYS 2 HZ2 LYS 2 -17.962 -10.441 -2.169
28 HZ3 LYS 2 HZ3 LYS 2 -17.980 -9.821 -3.743
29 H SER 3 HN SER 3 -10.890 -8.621 -3.875
30 HA SER 3 HA SER 3 -9.083 -10.283 -2.343
31 HB2 SER 3 HB2 SER 3 -9.704 -9.938 -5.255
32 HB3 SER 3 HB1 SER 3 -8.209 -10.741 -4.777
33 HG SER 3 HG SER 3 -10.485 -11.601 -3.462
34 H HIS 4 HN HIS 4 -8.834 -7.490 -4.522
35 HA HIS 4 HA HIS 4 -6.031 -7.279 -4.477
36 HB2 HIS 4 HB2 HIS 4 -8.072 -5.969 -5.775
37 HB3 HIS 4 HB1 HIS 4 -7.453 -4.723 -4.695
38 HD1 HIS 4 HD1 HIS 4 -6.646 -6.608 -7.773
39 HD2 HIS 4 HD2 HIS 4 -4.735 -3.989 -5.174
40 HE1 HIS 4 HE1 HIS 4 -4.557 -5.878 -8.970
41 HE2 HIS 4 HE2 HIS 4 -3.361 -4.385 -7.330
42 H THR 5 HN THR 5 -8.517 -5.781 -2.429
43 HA THR 5 HA THR 5 -6.813 -4.116 -0.960
44 HB THR 5 HB THR 5 -9.266 -3.918 -0.928
45 HG1 THR 5 HG1 THR 5 -9.433 -3.519 1.303
46 HG21 THR 5 HG21 THR 5 -9.238 -6.640 -0.254
47 HG22 THR 5 HG22 THR 5 -10.632 -5.574 -0.419
48 HG23 THR 5 HG23 THR 5 -9.859 -5.778 1.153
49 H ALA 6 HN ALA 6 -7.557 -7.518 -0.633
50 HA ALA 6 HA ALA 6 -6.618 -7.977 1.951
51 HB1 ALA 6 HB1 ALA 6 -6.502 -9.803 -0.445
52 HB2 ALA 6 HB2 ALA 6 -7.845 -9.650 0.688
53 HB3 ALA 6 HB3 ALA 6 -6.299 -10.302 1.234
54 H SER 7 HN SER 7 -4.818 -8.947 -0.949
55 HA SER 7 HA SER 7 -2.293 -8.989 0.368
56 HB2 SER 7 HB2 SER 7 -2.750 -10.377 -1.595
57 HB3 SER 7 HB1 SER 7 -2.962 -8.936 -2.589
58 HG SER 7 HG SER 7 -0.832 -8.529 -2.485
59 H TYR 8 HN TYR 8 -4.070 -6.265 -0.355
60 HA TYR 8 HA TYR 8 -1.918 -4.770 -1.461
61 HB2 TYR 8 HB2 TYR 8 -3.426 -3.222 -1.835
62 HB3 TYR 8 HB1 TYR 8 -4.640 -4.176 -0.975
63 HD1 TYR 8 HD1 TYR 8 -4.043 -1.087 -1.359
64 HD2 TYR 8 HD2 TYR 8 -3.511 -3.844 1.864
65 HE1 TYR 8 HE1 TYR 8 -4.143 0.777 0.230
66 HE2 TYR 8 HE2 TYR 8 -3.585 -1.937 3.454
67 HH TYR 8 HH TYR 8 -3.802 1.402 2.370
68 H LEU 9 HN LEU 9 -3.020 -5.511 1.792
69 HA LEU 9 HA LEU 9 -1.249 -3.604 2.920
70 HB2 LEU 9 HB2 LEU 9 -3.006 -5.703 3.975
71 HB3 LEU 9 HB1 LEU 9 -1.569 -5.395 4.932
72 HG LEU 9 HG LEU 9 -2.559 -2.850 4.385
73 HD11 LEU 9 HD11 LEU 9 -4.822 -4.736 5.074
74 HD12 LEU 9 HD12 LEU 9 -4.655 -3.790 3.595
75 HD13 LEU 9 HD13 LEU 9 -4.903 -2.976 5.139
76 HD21 LEU 9 HD21 LEU 9 -1.886 -4.451 6.601
77 HD22 LEU 9 HD22 LEU 9 -3.503 -3.827 6.925
78 HD23 LEU 9 HD23 LEU 9 -2.182 -2.714 6.575
79 H ARG 10 HN ARG 10 -0.925 -6.285 1.204
80 HA ARG 10 HA ARG 10 1.485 -7.330 2.344
81 HB2 ARG 10 HB2 ARG 10 -0.182 -8.263 0.024
82 HB3 ARG 10 HB1 ARG 10 1.195 -9.111 0.698
83 HG2 ARG 10 HG2 ARG 10 -0.961 -10.041 1.440
84 HG3 ARG 10 HG1 ARG 10 0.044 -9.481 2.770
85 HD2 ARG 10 HD2 ARG 10 -2.010 -7.562 1.702
86 HD3 ARG 10 HD1 ARG 10 -2.568 -8.952 2.623
87 HE ARG 10 HE ARG 10 -1.200 -6.661 3.615
88 HH11 ARG 10 HH11 ARG 10 -1.896 -10.034 4.171
89 HH12 ARG 10 HH12 ARG 10 -1.564 -9.962 5.869
90 HH21 ARG 10 HH21 ARG 10 -0.732 -6.574 5.875
91 HH22 ARG 10 HH22 ARG 10 -0.907 -8.004 6.832
92 H LEU 11 HN LEU 11 0.278 -5.435 -0.288
93 HA LEU 11 HA LEU 11 2.881 -5.275 -1.664
94 HB2 LEU 11 HB2 LEU 11 1.659 -5.014 -3.539
95 HB3 LEU 11 HB1 LEU 11 0.262 -5.431 -2.580
96 HG LEU 11 HG LEU 11 0.777 -2.543 -2.423
97 HD11 LEU 11 HD11 LEU 11 -0.005 -3.475 -5.153
98 HD12 LEU 11 HD12 LEU 11 1.698 -3.254 -4.751
99 HD13 LEU 11 HD13 LEU 11 0.578 -1.898 -4.621
100 HD21 LEU 11 HD21 LEU 11 -1.435 -4.441 -2.987
101 HD22 LEU 11 HD22 LEU 11 -1.610 -2.770 -3.524
102 HD23 LEU 11 HD23 LEU 11 -1.328 -3.124 -1.815
103 H TRP 12 HN TRP 12 0.246 -3.226 -0.824
104 HA TRP 12 HA TRP 12 1.302 -0.776 -0.966
105 HB2 TRP 12 HB2 TRP 12 -0.852 -0.500 -0.658
106 HB3 TRP 12 HB1 TRP 12 -1.015 -2.049 0.132
107 HD1 TRP 12 HD1 TRP 12 -1.486 1.389 0.648
108 HE1 TRP 12 HE1 TRP 12 -1.827 1.982 3.152
109 HE3 TRP 12 HE3 TRP 12 0.269 -2.881 2.627
110 HZ2 TRP 12 HZ2 TRP 12 -1.393 0.693 5.648
111 HZ3 TRP 12 HZ3 TRP 12 0.281 -3.193 5.059
112 HH2 TRP 12 HH2 TRP 12 -0.519 -1.420 6.552
113 H ALA 13 HN ALA 13 1.955 -3.171 1.432
114 HA ALA 13 HA ALA 13 2.816 -1.385 3.498
115 HB1 ALA 13 HB1 ALA 13 3.905 -3.583 4.354
116 HB2 ALA 13 HB2 ALA 13 2.950 -4.338 3.078
117 HB3 ALA 13 HB3 ALA 13 2.149 -3.424 4.355
118 H LEU 14 HN LEU 14 4.665 -3.745 1.546
119 HA LEU 14 HA LEU 14 7.178 -2.685 2.179
120 HB2 LEU 14 HB2 LEU 14 8.049 -3.973 0.359
121 HB3 LEU 14 HB1 LEU 14 6.789 -4.905 1.144
122 HG LEU 14 HG LEU 14 5.426 -3.594 -0.871
123 HD11 LEU 14 HD11 LEU 14 7.308 -2.790 -2.017
124 HD12 LEU 14 HD12 LEU 14 6.824 -4.244 -2.891
125 HD13 LEU 14 HD13 LEU 14 8.197 -4.295 -1.785
126 HD21 LEU 14 HD21 LEU 14 4.734 -5.697 -1.019
127 HD22 LEU 14 HD22 LEU 14 6.142 -6.260 -0.120
128 HD23 LEU 14 HD23 LEU 14 6.221 -6.103 -1.874
129 H SER 15 HN SER 15 4.733 -1.564 0.032
130 HA SER 15 HA SER 15 6.567 0.214 -1.377
131 HB2 SER 15 HB2 SER 15 3.592 -0.224 -1.733
132 HB3 SER 15 HB1 SER 15 4.599 0.809 -2.748
133 HG SER 15 HG SER 15 4.436 -1.966 -2.629
134 H LEU 16 HN LEU 16 4.657 0.223 1.393
135 HA LEU 16 HA LEU 16 3.738 2.908 1.380
136 HB2 LEU 16 HB2 LEU 16 3.396 0.689 3.003
137 HB3 LEU 16 HB1 LEU 16 4.289 1.801 4.020
138 HG LEU 16 HG LEU 16 1.734 2.540 2.600
139 HD11 LEU 16 HD11 LEU 16 0.563 2.159 4.640
140 HD12 LEU 16 HD12 LEU 16 2.058 1.780 5.495
141 HD13 LEU 16 HD13 LEU 16 1.450 0.685 4.253
142 HD21 LEU 16 HD21 LEU 16 2.561 4.571 3.128
143 HD22 LEU 16 HD22 LEU 16 3.650 3.928 4.357
144 HD23 LEU 16 HD23 LEU 16 1.944 4.173 4.732
145 H ALA 17 HN ALA 17 6.827 1.597 1.653
146 HA ALA 17 HA ALA 17 7.824 3.798 3.320
147 HB1 ALA 17 HB1 ALA 17 9.582 1.610 2.217
148 HB2 ALA 17 HB2 ALA 17 8.677 1.440 3.729
149 HB3 ALA 17 HB3 ALA 17 9.889 2.703 3.563
150 H HIS 18 HN HIS 18 8.981 2.307 0.293
151 HA HIS 18 HA HIS 18 10.526 4.482 -0.509
152 HB2 HIS 18 HB2 HIS 18 10.653 3.439 -2.653
153 HB3 HIS 18 HB1 HIS 18 10.581 2.152 -1.454
154 HD1 HIS 18 HD1 HIS 18 8.287 3.943 -3.886
155 HD2 HIS 18 HD2 HIS 18 8.616 0.339 -1.857
156 HE1 HIS 18 HE1 HIS 18 6.461 2.483 -4.816
157 HE2 HIS 18 HE2 HIS 18 6.786 0.255 -3.687
158 H ALA 19 HN ALA 19 7.105 4.109 -0.557
159 HA ALA 19 HA ALA 19 6.552 5.941 -2.675
160 HB1 ALA 19 HB1 ALA 19 4.230 5.932 -1.598
161 HB2 ALA 19 HB2 ALA 19 4.886 4.711 -0.507
162 HB3 ALA 19 HB3 ALA 19 4.843 4.409 -2.244
163 H GLN 20 HN GLN 20 7.084 6.248 0.767
164 HA GLN 20 HA GLN 20 5.978 8.832 1.089
165 HB2 GLN 20 HB2 GLN 20 7.906 7.165 2.659
166 HB3 GLN 20 HB1 GLN 20 7.659 8.850 3.093
167 HG2 GLN 20 HG2 GLN 20 5.412 8.504 3.636
168 HG3 GLN 20 HG1 GLN 20 5.359 6.956 2.795
169 HE21 GLN 20 HE21 GLN 20 7.456 5.610 3.728
170 HE22 GLN 20 HE22 GLN 20 7.340 5.371 5.435
171 H LEU 21 HN LEU 21 8.925 7.740 -0.315
172 HA LEU 21 HA LEU 21 10.417 10.139 0.087
173 HB2 LEU 21 HB2 LEU 21 10.777 7.857 -1.850
174 HB3 LEU 21 HB1 LEU 21 11.913 9.181 -1.678
175 HG LEU 21 HG LEU 21 11.182 7.217 0.495
176 HD11 LEU 21 HD11 LEU 21 12.547 5.901 -0.721
177 HD12 LEU 21 HD12 LEU 21 13.810 6.861 0.050
178 HD13 LEU 21 HD13 LEU 21 13.271 7.259 -1.581
179 HD21 LEU 21 HD21 LEU 21 13.344 8.317 1.461
180 HD22 LEU 21 HD22 LEU 21 11.779 9.104 1.669
181 HD23 LEU 21 HD23 LEU 21 12.889 9.663 0.417
182 H SER 22 HN SER 22 7.942 9.217 -2.098
183 HA SER 22 HA SER 22 8.670 10.978 -4.231
184 HB2 SER 22 HB2 SER 22 5.867 10.002 -3.754
185 HB3 SER 22 HB1 SER 22 6.692 10.297 -5.284
186 HG SER 22 HG SER 22 6.595 8.040 -3.785
187 H SER 23 HN SER 23 6.370 11.126 -1.541
188 HA SER 23 HA SER 23 6.487 14.026 -1.607
189 HB2 SER 23 HB2 SER 23 3.905 12.494 -1.985
190 HB3 SER 23 HB1 SER 23 3.976 14.199 -1.541
191 HG SER 23 HG SER 23 3.793 14.103 -3.746
192 H LYS 24 HN LYS 24 4.234 11.685 -0.162
193 HA LYS 24 HA LYS 24 5.447 11.649 2.381
194 HB2 LYS 24 HB2 LYS 24 3.857 13.958 1.842
195 HB3 LYS 24 HB1 LYS 24 3.017 12.978 3.036
196 HG2 LYS 24 HG2 LYS 24 4.533 13.394 4.641
197 HG3 LYS 24 HG1 LYS 24 5.893 13.353 3.517
198 HD2 LYS 24 HD2 LYS 24 5.399 15.588 2.762
199 HD3 LYS 24 HD1 LYS 24 3.923 15.628 3.729
200 HE2 LYS 24 HE2 LYS 24 5.445 16.822 5.021
201 HE3 LYS 24 HE1 LYS 24 5.477 15.210 5.736
202 HZ1 LYS 24 HZ1 LYS 24 7.602 14.930 5.168
203 HZ2 LYS 24 HZ2 LYS 24 7.648 16.604 4.931
204 HZ3 LYS 24 HZ3 LYS 24 7.390 15.572 3.616
205 H LYS 25 HN LYS 25 1.989 11.988 1.662
206 HA LYS 25 HA LYS 25 1.629 9.186 2.497
207 HB2 LYS 25 HB2 LYS 25 0.500 11.228 3.699
208 HB3 LYS 25 HB1 LYS 25 -0.624 11.154 2.348
209 HG2 LYS 25 HG2 LYS 25 -0.001 8.782 4.085
210 HG3 LYS 25 HG1 LYS 25 -1.307 9.918 4.431
211 HD2 LYS 25 HD2 LYS 25 -1.682 9.287 1.765
212 HD3 LYS 25 HD1 LYS 25 -1.179 7.756 2.487
213 HE2 LYS 25 HE2 LYS 25 -3.578 7.924 2.588
214 HE3 LYS 25 HE1 LYS 25 -2.922 8.050 4.219
215 HZ1 LYS 25 HZ1 LYS 25 -4.487 9.925 2.758
216 HZ2 LYS 25 HZ2 LYS 25 -3.049 10.633 3.297
217 HZ3 LYS 25 HZ3 LYS 25 -4.100 9.905 4.405
Start of MODEL 9
1 H1 LYS 1 HT1 LYS 1 -14.466 -5.015 -1.337
2 H2 LYS 1 HT2 LYS 1 -15.018 -4.902 0.285
3 H3 LYS 1 HT3 LYS 1 -15.938 -5.766 -0.879
4 HA LYS 1 HA LYS 1 -13.385 -6.473 0.368
5 HB2 LYS 1 HB2 LYS 1 -16.159 -7.601 0.161
6 HB3 LYS 1 HB1 LYS 1 -14.802 -8.661 0.516
7 HG2 LYS 1 HG2 LYS 1 -14.313 -7.495 2.530
8 HG3 LYS 1 HG1 LYS 1 -15.451 -6.207 2.128
9 HD2 LYS 1 HD2 LYS 1 -16.880 -7.355 3.427
10 HD3 LYS 1 HD1 LYS 1 -17.056 -8.405 2.020
11 HE2 LYS 1 HE2 LYS 1 -15.166 -9.780 2.926
12 HE3 LYS 1 HE1 LYS 1 -15.246 -8.808 4.395
13 HZ1 LYS 1 HZ1 LYS 1 -17.159 -10.782 3.368
14 HZ2 LYS 1 HZ2 LYS 1 -17.740 -9.504 4.311
15 HZ3 LYS 1 HZ3 LYS 1 -16.582 -10.562 4.944
16 H LYS 2 HN LYS 2 -11.859 -7.152 -0.981
17 HA LYS 2 HA LYS 2 -12.508 -9.056 -3.069
18 HB2 LYS 2 HB2 LYS 2 -12.183 -6.266 -3.703
19 HB3 LYS 2 HB1 LYS 2 -10.770 -7.119 -4.322
20 HG2 LYS 2 HG2 LYS 2 -12.451 -8.758 -5.356
21 HG3 LYS 2 HG1 LYS 2 -13.658 -7.513 -5.026
22 HD2 LYS 2 HD2 LYS 2 -11.388 -6.289 -6.249
23 HD3 LYS 2 HD1 LYS 2 -11.863 -7.689 -7.212
24 HE2 LYS 2 HE2 LYS 2 -14.118 -6.059 -6.318
25 HE3 LYS 2 HE1 LYS 2 -12.987 -5.190 -7.355
26 HZ1 LYS 2 HZ1 LYS 2 -14.612 -6.198 -8.734
27 HZ2 LYS 2 HZ2 LYS 2 -14.431 -7.704 -7.985
28 HZ3 LYS 2 HZ3 LYS 2 -13.183 -7.080 -8.941
29 H SER 3 HN SER 3 -10.253 -9.407 -4.359
30 HA SER 3 HA SER 3 -8.474 -10.435 -2.381
31 HB2 SER 3 HB2 SER 3 -8.908 -11.517 -4.603
32 HB3 SER 3 HB1 SER 3 -7.994 -10.213 -5.360
33 HG SER 3 HG SER 3 -6.321 -11.406 -4.953
34 H HIS 4 HN HIS 4 -8.409 -7.686 -4.587
35 HA HIS 4 HA HIS 4 -5.782 -6.884 -4.389
36 HB2 HIS 4 HB2 HIS 4 -7.385 -5.778 -5.859
37 HB3 HIS 4 HB1 HIS 4 -8.252 -5.135 -4.468
38 HD1 HIS 4 HD1 HIS 4 -5.520 -4.385 -6.768
39 HD2 HIS 4 HD2 HIS 4 -6.697 -3.172 -2.972
40 HE1 HIS 4 HE1 HIS 4 -4.251 -2.261 -6.317
41 HE2 HIS 4 HE2 HIS 4 -4.900 -1.604 -3.974
42 H THR 5 HN THR 5 -8.415 -5.531 -2.390
43 HA THR 5 HA THR 5 -6.980 -4.068 -0.609
44 HB THR 5 HB THR 5 -9.336 -3.986 -0.460
45 HG1 THR 5 HG1 THR 5 -9.686 -4.374 1.738
46 HG21 THR 5 HG21 THR 5 -9.330 -6.903 0.271
47 HG22 THR 5 HG22 THR 5 -9.897 -6.212 -1.249
48 HG23 THR 5 HG23 THR 5 -10.737 -5.841 0.257
49 H ALA 6 HN ALA 6 -7.582 -7.556 -0.395
50 HA ALA 6 HA ALA 6 -6.390 -8.015 2.090
51 HB1 ALA 6 HB1 ALA 6 -6.001 -10.355 1.153
52 HB2 ALA 6 HB2 ALA 6 -6.758 -9.762 -0.325
53 HB3 ALA 6 HB3 ALA 6 -7.664 -9.770 1.188
54 H SER 7 HN SER 7 -4.916 -8.949 -0.999
55 HA SER 7 HA SER 7 -2.260 -9.032 0.029
56 HB2 SER 7 HB2 SER 7 -3.271 -10.222 -2.046
57 HB3 SER 7 HB1 SER 7 -2.920 -8.715 -2.893
58 HG SER 7 HG SER 7 -0.974 -10.100 -1.376
59 H TYR 8 HN TYR 8 -4.086 -6.289 -0.407
60 HA TYR 8 HA TYR 8 -2.032 -4.777 -1.692
61 HB2 TYR 8 HB2 TYR 8 -3.525 -3.178 -1.893
62 HB3 TYR 8 HB1 TYR 8 -4.705 -4.185 -1.045
63 HD1 TYR 8 HD1 TYR 8 -3.390 -4.007 1.753
64 HD2 TYR 8 HD2 TYR 8 -4.199 -1.084 -1.256
65 HE1 TYR 8 HE1 TYR 8 -3.396 -2.211 3.452
66 HE2 TYR 8 HE2 TYR 8 -4.232 0.680 0.447
67 HH TYR 8 HH TYR 8 -3.363 0.034 3.792
68 H LEU 9 HN LEU 9 -2.847 -5.652 1.597
69 HA LEU 9 HA LEU 9 -1.039 -3.737 2.656
70 HB2 LEU 9 HB2 LEU 9 -2.765 -5.796 3.761
71 HB3 LEU 9 HB1 LEU 9 -1.222 -5.699 4.588
72 HG LEU 9 HG LEU 9 -2.193 -3.037 4.240
73 HD11 LEU 9 HD11 LEU 9 -4.160 -4.719 5.772
74 HD12 LEU 9 HD12 LEU 9 -4.395 -4.352 4.064
75 HD13 LEU 9 HD13 LEU 9 -4.307 -3.043 5.242
76 HD21 LEU 9 HD21 LEU 9 -2.181 -4.576 6.819
77 HD22 LEU 9 HD22 LEU 9 -1.796 -2.880 6.532
78 HD23 LEU 9 HD23 LEU 9 -0.676 -4.139 6.011
79 H ARG 10 HN ARG 10 -0.796 -6.342 0.825
80 HA ARG 10 HA ARG 10 1.689 -7.410 1.759
81 HB2 ARG 10 HB2 ARG 10 -0.103 -8.197 -0.520
82 HB3 ARG 10 HB1 ARG 10 1.331 -9.067 -0.014
83 HG2 ARG 10 HG2 ARG 10 -0.790 -10.072 0.787
84 HG3 ARG 10 HG1 ARG 10 0.339 -9.662 2.071
85 HD2 ARG 10 HD2 ARG 10 -1.817 -7.670 1.362
86 HD3 ARG 10 HD1 ARG 10 -2.233 -9.110 2.286
87 HE ARG 10 HE ARG 10 -0.920 -6.824 3.242
88 HH11 ARG 10 HH11 ARG 10 -0.905 -10.304 3.533
89 HH12 ARG 10 HH12 ARG 10 -0.236 -10.301 5.130
90 HH21 ARG 10 HH21 ARG 10 -0.017 -6.824 5.360
91 HH22 ARG 10 HH22 ARG 10 0.263 -8.330 6.165
92 H LEU 11 HN LEU 11 0.263 -5.558 -0.823
93 HA LEU 11 HA LEU 11 2.761 -5.203 -2.311
94 HB2 LEU 11 HB2 LEU 11 1.374 -4.897 -4.060
95 HB3 LEU 11 HB1 LEU 11 0.060 -5.338 -2.998
96 HG LEU 11 HG LEU 11 0.616 -2.462 -2.792
97 HD11 LEU 11 HD11 LEU 11 1.390 -2.836 -5.125
98 HD12 LEU 11 HD12 LEU 11 -0.049 -1.823 -5.001
99 HD13 LEU 11 HD13 LEU 11 -0.197 -3.507 -5.503
100 HD21 LEU 11 HD21 LEU 11 -1.847 -2.554 -3.599
101 HD22 LEU 11 HD22 LEU 11 -1.425 -3.162 -1.995
102 HD23 LEU 11 HD23 LEU 11 -1.686 -4.290 -3.327
103 H TRP 12 HN TRP 12 0.180 -3.239 -1.165
104 HA TRP 12 HA TRP 12 1.245 -0.772 -1.249
105 HB2 TRP 12 HB2 TRP 12 -0.906 -0.515 -0.884
106 HB3 TRP 12 HB1 TRP 12 -1.050 -2.087 -0.137
107 HD1 TRP 12 HD1 TRP 12 -1.582 1.305 0.514
108 HE1 TRP 12 HE1 TRP 12 -1.782 1.825 3.048
109 HE3 TRP 12 HE3 TRP 12 0.422 -2.955 2.273
110 HZ2 TRP 12 HZ2 TRP 12 -1.158 0.491 5.483
111 HZ3 TRP 12 HZ3 TRP 12 0.586 -3.332 4.688
112 HH2 TRP 12 HH2 TRP 12 -0.172 -1.619 6.276
113 H ALA 13 HN ALA 13 2.181 -3.272 0.861
114 HA ALA 13 HA ALA 13 3.001 -1.551 3.029
115 HB1 ALA 13 HB1 ALA 13 2.988 -4.474 2.530
116 HB2 ALA 13 HB2 ALA 13 2.420 -3.562 3.929
117 HB3 ALA 13 HB3 ALA 13 4.147 -3.839 3.699
118 H LEU 14 HN LEU 14 4.472 -3.201 0.294
119 HA LEU 14 HA LEU 14 7.137 -2.394 1.142
120 HB2 LEU 14 HB2 LEU 14 6.074 -4.047 -1.123
121 HB3 LEU 14 HB1 LEU 14 7.739 -3.498 -1.111
122 HG LEU 14 HG LEU 14 6.617 -5.020 1.219
123 HD11 LEU 14 HD11 LEU 14 8.138 -6.521 -0.808
124 HD12 LEU 14 HD12 LEU 14 6.481 -6.101 -1.239
125 HD13 LEU 14 HD13 LEU 14 6.802 -7.033 0.224
126 HD21 LEU 14 HD21 LEU 14 8.969 -5.647 1.506
127 HD22 LEU 14 HD22 LEU 14 8.752 -3.897 1.522
128 HD23 LEU 14 HD23 LEU 14 9.392 -4.693 0.084
129 H SER 15 HN SER 15 4.899 -1.685 -1.529
130 HA SER 15 HA SER 15 6.724 0.268 -2.644
131 HB2 SER 15 HB2 SER 15 5.020 -1.345 -3.871
132 HB3 SER 15 HB1 SER 15 3.916 0.007 -3.617
133 HG SER 15 HG SER 15 5.711 1.303 -4.574
134 H LEU 16 HN LEU 16 3.511 0.332 -1.092
135 HA LEU 16 HA LEU 16 3.247 3.156 -1.310
136 HB2 LEU 16 HB2 LEU 16 1.569 1.077 -0.647
137 HB3 LEU 16 HB1 LEU 16 1.747 1.936 0.871
138 HG LEU 16 HG LEU 16 1.241 3.762 -1.329
139 HD11 LEU 16 HD11 LEU 16 -0.172 2.428 -2.469
140 HD12 LEU 16 HD12 LEU 16 -1.293 2.881 -1.186
141 HD13 LEU 16 HD13 LEU 16 -0.430 1.347 -1.101
142 HD21 LEU 16 HD21 LEU 16 1.027 4.426 0.970
143 HD22 LEU 16 HD22 LEU 16 -0.145 3.144 1.276
144 HD23 LEU 16 HD23 LEU 16 -0.564 4.487 0.212
145 H ALA 17 HN ALA 17 5.299 1.370 0.586
146 HA ALA 17 HA ALA 17 5.186 3.249 2.845
147 HB1 ALA 17 HB1 ALA 17 5.462 0.767 3.320
148 HB2 ALA 17 HB2 ALA 17 6.615 1.845 4.097
149 HB3 ALA 17 HB3 ALA 17 7.108 0.920 2.684
150 H HIS 18 HN HIS 18 7.775 1.889 0.807
151 HA HIS 18 HA HIS 18 9.693 3.818 1.424
152 HB2 HIS 18 HB2 HIS 18 10.995 2.861 -0.244
153 HB3 HIS 18 HB1 HIS 18 9.881 1.552 0.135
154 HD1 HIS 18 HD1 HIS 18 8.346 0.754 -1.702
155 HD2 HIS 18 HD2 HIS 18 10.482 4.162 -2.739
156 HE1 HIS 18 HE1 HIS 18 7.957 1.067 -4.168
157 HE2 HIS 18 HE2 HIS 18 9.150 3.210 -4.741
158 H ALA 19 HN ALA 19 7.043 3.886 -0.846
159 HA ALA 19 HA ALA 19 7.980 6.191 -2.278
160 HB1 ALA 19 HB1 ALA 19 6.560 4.562 -3.384
161 HB2 ALA 19 HB2 ALA 19 5.776 6.142 -3.359
162 HB3 ALA 19 HB3 ALA 19 5.263 4.885 -2.234
163 H GLN 20 HN GLN 20 5.981 5.620 0.522
164 HA GLN 20 HA GLN 20 4.718 8.161 0.569
165 HB2 GLN 20 HB2 GLN 20 4.964 5.855 2.389
166 HB3 GLN 20 HB1 GLN 20 4.694 7.404 3.177
167 HG2 GLN 20 HG2 GLN 20 2.979 6.608 0.875
168 HG3 GLN 20 HG1 GLN 20 2.682 5.913 2.469
169 HE21 GLN 20 HE21 GLN 20 2.879 8.908 0.652
170 HE22 GLN 20 HE22 GLN 20 1.883 9.838 1.713
171 H LEU 21 HN LEU 21 7.885 7.129 1.355
172 HA LEU 21 HA LEU 21 8.413 9.355 3.138
173 HB2 LEU 21 HB2 LEU 21 10.464 7.496 1.964
174 HB3 LEU 21 HB1 LEU 21 10.568 8.429 3.444
175 HG LEU 21 HG LEU 21 8.796 6.029 2.983
176 HD11 LEU 21 HD11 LEU 21 10.319 4.756 4.067
177 HD12 LEU 21 HD12 LEU 21 10.881 6.090 5.076
178 HD13 LEU 21 HD13 LEU 21 11.433 5.953 3.406
179 HD21 LEU 21 HD21 LEU 21 9.240 7.347 5.628
180 HD22 LEU 21 HD22 LEU 21 7.927 6.292 5.107
181 HD23 LEU 21 HD23 LEU 21 8.001 7.957 4.531
182 H SER 22 HN SER 22 8.697 8.564 -0.213
183 HA SER 22 HA SER 22 10.540 10.744 -0.763
184 HB2 SER 22 HB2 SER 22 10.547 8.471 -1.960
185 HB3 SER 22 HB1 SER 22 9.125 9.057 -2.823
186 HG SER 22 HG SER 22 11.625 10.398 -2.736
187 H SER 23 HN SER 23 7.133 10.096 -0.805
188 HA SER 23 HA SER 23 6.678 12.763 -1.977
189 HB2 SER 23 HB2 SER 23 4.543 10.697 -2.192
190 HB3 SER 23 HB1 SER 23 4.962 12.003 -3.300
191 HG SER 23 HG SER 23 6.032 10.574 -4.385
192 H LYS 24 HN LYS 24 7.075 12.573 0.693
193 HA LYS 24 HA LYS 24 4.771 12.071 2.236
194 HB2 LYS 24 HB2 LYS 24 7.370 13.442 2.661
195 HB3 LYS 24 HB1 LYS 24 6.070 13.847 3.774
196 HG2 LYS 24 HG2 LYS 24 5.825 11.255 3.974
197 HG3 LYS 24 HG1 LYS 24 7.485 11.257 3.373
198 HD2 LYS 24 HD2 LYS 24 6.764 13.071 5.626
199 HD3 LYS 24 HD1 LYS 24 6.979 11.350 5.952
200 HE2 LYS 24 HE2 LYS 24 9.143 11.897 6.198
201 HE3 LYS 24 HE1 LYS 24 9.167 11.872 4.435
202 HZ1 LYS 24 HZ1 LYS 24 8.488 14.323 4.655
203 HZ2 LYS 24 HZ2 LYS 24 10.099 13.906 4.957
204 HZ3 LYS 24 HZ3 LYS 24 9.045 14.195 6.247
205 H LYS 25 HN LYS 25 6.119 15.095 0.943
206 HA LYS 25 HA LYS 25 3.830 16.616 1.836
207 HB2 LYS 25 HB2 LYS 25 6.283 17.424 1.645
208 HB3 LYS 25 HB1 LYS 25 5.931 17.617 -0.067
209 HG2 LYS 25 HG2 LYS 25 5.457 19.714 0.678
210 HG3 LYS 25 HG1 LYS 25 3.867 18.967 0.849
211 HD2 LYS 25 HD2 LYS 25 4.000 19.826 2.936
212 HD3 LYS 25 HD1 LYS 25 4.926 18.356 3.246
213 HE2 LYS 25 HE2 LYS 25 6.181 20.158 4.145
214 HE3 LYS 25 HE1 LYS 25 6.993 19.662 2.661
215 HZ1 LYS 25 HZ1 LYS 25 5.078 21.660 2.089
216 HZ2 LYS 25 HZ2 LYS 25 6.752 21.695 1.851
217 HZ3 LYS 25 HZ3 LYS 25 6.099 22.197 3.327
Start of MODEL 10
1 H1 LYS 1 HT1 LYS 1 -11.649 -4.560 -1.619
2 H2 LYS 1 HT2 LYS 1 -11.622 -3.604 -3.044
3 H3 LYS 1 HT3 LYS 1 -10.736 -5.073 -2.976
4 HA LYS 1 HA LYS 1 -13.640 -4.674 -3.073
5 HB2 LYS 1 HB2 LYS 1 -11.504 -5.428 -4.893
6 HB3 LYS 1 HB1 LYS 1 -12.756 -6.659 -4.832
7 HG2 LYS 1 HG2 LYS 1 -14.146 -4.260 -5.012
8 HG3 LYS 1 HG1 LYS 1 -12.773 -4.068 -6.103
9 HD2 LYS 1 HD2 LYS 1 -13.829 -6.681 -6.472
10 HD3 LYS 1 HD1 LYS 1 -15.174 -5.541 -6.506
11 HE2 LYS 1 HE2 LYS 1 -14.284 -5.861 -8.739
12 HE3 LYS 1 HE1 LYS 1 -13.987 -4.211 -8.193
13 HZ1 LYS 1 HZ1 LYS 1 -12.097 -6.358 -8.732
14 HZ2 LYS 1 HZ2 LYS 1 -11.741 -5.363 -7.412
15 HZ3 LYS 1 HZ3 LYS 1 -11.931 -4.688 -8.951
16 H LYS 2 HN LYS 2 -11.522 -7.501 -3.388
17 HA LYS 2 HA LYS 2 -12.637 -8.711 -0.992
18 HB2 LYS 2 HB2 LYS 2 -13.753 -9.255 -3.592
19 HB3 LYS 2 HB1 LYS 2 -12.893 -10.702 -3.065
20 HG2 LYS 2 HG2 LYS 2 -15.010 -9.258 -1.475
21 HG3 LYS 2 HG1 LYS 2 -15.254 -10.728 -2.420
22 HD2 LYS 2 HD2 LYS 2 -13.298 -11.653 -0.962
23 HD3 LYS 2 HD1 LYS 2 -13.740 -10.337 0.129
24 HE2 LYS 2 HE2 LYS 2 -15.851 -12.171 -0.924
25 HE3 LYS 2 HE1 LYS 2 -14.824 -12.695 0.410
26 HZ1 LYS 2 HZ1 LYS 2 -16.915 -11.633 1.129
27 HZ2 LYS 2 HZ2 LYS 2 -16.414 -10.187 0.410
28 HZ3 LYS 2 HZ3 LYS 2 -15.540 -10.833 1.706
29 H SER 3 HN SER 3 -10.936 -9.693 -3.983
30 HA SER 3 HA SER 3 -9.030 -11.216 -2.391
31 HB2 SER 3 HB2 SER 3 -9.825 -12.362 -4.331
32 HB3 SER 3 HB1 SER 3 -9.499 -10.972 -5.366
33 HG SER 3 HG SER 3 -7.732 -12.850 -4.286
34 H HIS 4 HN HIS 4 -8.879 -8.730 -4.945
35 HA HIS 4 HA HIS 4 -6.168 -8.214 -4.875
36 HB2 HIS 4 HB2 HIS 4 -8.428 -7.067 -6.086
37 HB3 HIS 4 HB1 HIS 4 -7.632 -5.747 -5.234
38 HD1 HIS 4 HD1 HIS 4 -6.809 -8.445 -7.772
39 HD2 HIS 4 HD2 HIS 4 -5.483 -4.706 -6.539
40 HE1 HIS 4 HE1 HIS 4 -5.011 -7.798 -9.406
41 HE2 HIS 4 HE2 HIS 4 -4.158 -5.575 -8.584
42 H THR 5 HN THR 5 -8.701 -6.962 -2.758
43 HA THR 5 HA THR 5 -7.087 -5.039 -1.451
44 HB THR 5 HB THR 5 -9.511 -4.901 -1.362
45 HG1 THR 5 HG1 THR 5 -8.538 -5.459 1.238
46 HG21 THR 5 HG21 THR 5 -9.341 -7.653 -0.529
47 HG22 THR 5 HG22 THR 5 -10.728 -6.730 -1.106
48 HG23 THR 5 HG23 THR 5 -10.291 -6.691 0.602
49 H ALA 6 HN ALA 6 -7.541 -8.463 -1.027
50 HA ALA 6 HA ALA 6 -6.603 -8.749 1.596
51 HB1 ALA 6 HB1 ALA 6 -7.718 -10.555 0.406
52 HB2 ALA 6 HB2 ALA 6 -6.136 -11.079 0.984
53 HB3 ALA 6 HB3 ALA 6 -6.363 -10.671 -0.717
54 H SER 7 HN SER 7 -4.749 -9.656 -1.298
55 HA SER 7 HA SER 7 -2.222 -9.536 0.010
56 HB2 SER 7 HB2 SER 7 -2.730 -10.920 -2.011
57 HB3 SER 7 HB1 SER 7 -2.783 -9.438 -2.965
58 HG SER 7 HG SER 7 -0.609 -9.070 -2.376
59 H TYR 8 HN TYR 8 -4.159 -6.925 -0.713
60 HA TYR 8 HA TYR 8 -2.074 -5.313 -1.805
61 HB2 TYR 8 HB2 TYR 8 -3.635 -3.815 -2.196
62 HB3 TYR 8 HB1 TYR 8 -4.831 -4.871 -1.434
63 HD1 TYR 8 HD1 TYR 8 -3.835 -4.558 1.472
64 HD2 TYR 8 HD2 TYR 8 -4.451 -1.745 -1.687
65 HE1 TYR 8 HE1 TYR 8 -4.106 -2.721 3.111
66 HE2 TYR 8 HE2 TYR 8 -4.744 0.054 -0.046
67 HH TYR 8 HH TYR 8 -5.440 -0.349 3.024
68 H LEU 9 HN LEU 9 -3.176 -6.165 1.408
69 HA LEU 9 HA LEU 9 -1.598 -4.127 2.595
70 HB2 LEU 9 HB2 LEU 9 -3.290 -6.281 3.577
71 HB3 LEU 9 HB1 LEU 9 -1.857 -6.039 4.557
72 HG LEU 9 HG LEU 9 -2.966 -3.472 4.022
73 HD11 LEU 9 HD11 LEU 9 -5.184 -3.593 4.695
74 HD12 LEU 9 HD12 LEU 9 -4.997 -5.202 5.393
75 HD13 LEU 9 HD13 LEU 9 -5.030 -5.000 3.641
76 HD21 LEU 9 HD21 LEU 9 -3.132 -4.985 6.619
77 HD22 LEU 9 HD22 LEU 9 -2.909 -3.255 6.358
78 HD23 LEU 9 HD23 LEU 9 -1.601 -4.378 5.988
79 H ARG 10 HN ARG 10 -1.018 -6.755 0.871
80 HA ARG 10 HA ARG 10 1.416 -7.644 2.083
81 HB2 ARG 10 HB2 ARG 10 -0.079 -8.600 -0.341
82 HB3 ARG 10 HB1 ARG 10 1.341 -9.367 0.340
83 HG2 ARG 10 HG2 ARG 10 -0.790 -10.479 0.946
84 HG3 ARG 10 HG1 ARG 10 0.168 -9.966 2.328
85 HD2 ARG 10 HD2 ARG 10 -2.011 -8.127 1.337
86 HD3 ARG 10 HD1 ARG 10 -2.444 -9.572 2.246
87 HE ARG 10 HE ARG 10 -1.372 -7.193 3.276
88 HH11 ARG 10 HH11 ARG 10 -1.220 -10.659 3.665
89 HH12 ARG 10 HH12 ARG 10 -0.742 -10.587 5.327
90 HH21 ARG 10 HH21 ARG 10 -0.722 -7.100 5.486
91 HH22 ARG 10 HH22 ARG 10 -0.464 -8.571 6.358
92 H LEU 11 HN LEU 11 0.161 -5.882 -0.637
93 HA LEU 11 HA LEU 11 2.782 -5.434 -1.879
94 HB2 LEU 11 HB2 LEU 11 1.586 -5.245 -3.778
95 HB3 LEU 11 HB1 LEU 11 0.191 -5.751 -2.857
96 HG LEU 11 HG LEU 11 0.543 -2.840 -2.666
97 HD11 LEU 11 HD11 LEU 11 1.545 -2.928 -4.820
98 HD12 LEU 11 HD12 LEU 11 -0.139 -2.454 -5.043
99 HD13 LEU 11 HD13 LEU 11 0.367 -4.107 -5.395
100 HD21 LEU 11 HD21 LEU 11 -1.805 -3.091 -3.717
101 HD22 LEU 11 HD22 LEU 11 -1.526 -3.672 -2.073
102 HD23 LEU 11 HD23 LEU 11 -1.574 -4.814 -3.418
103 H TRP 12 HN TRP 12 -0.016 -3.596 -1.088
104 HA TRP 12 HA TRP 12 0.879 -1.078 -1.151
105 HB2 TRP 12 HB2 TRP 12 -1.300 -0.949 -0.953
106 HB3 TRP 12 HB1 TRP 12 -1.401 -2.517 -0.190
107 HD1 TRP 12 HD1 TRP 12 -2.163 0.860 0.337
108 HE1 TRP 12 HE1 TRP 12 -2.656 1.397 2.828
109 HE3 TRP 12 HE3 TRP 12 -0.151 -3.275 2.367
110 HZ2 TRP 12 HZ2 TRP 12 -2.231 0.122 5.334
111 HZ3 TRP 12 HZ3 TRP 12 -0.224 -3.614 4.793
112 HH2 TRP 12 HH2 TRP 12 -1.230 -1.924 6.263
113 H ALA 13 HN ALA 13 1.595 -3.461 1.231
114 HA ALA 13 HA ALA 13 2.175 -1.724 3.407
115 HB1 ALA 13 HB1 ALA 13 3.612 -3.844 4.061
116 HB2 ALA 13 HB2 ALA 13 2.644 -4.589 2.789
117 HB3 ALA 13 HB3 ALA 13 1.853 -3.847 4.180
118 H LEU 14 HN LEU 14 4.327 -3.566 1.242
119 HA LEU 14 HA LEU 14 6.686 -2.265 2.068
120 HB2 LEU 14 HB2 LEU 14 6.156 -3.535 -0.618
121 HB3 LEU 14 HB1 LEU 14 7.722 -3.250 0.116
122 HG LEU 14 HG LEU 14 5.691 -5.045 1.413
123 HD11 LEU 14 HD11 LEU 14 7.871 -6.270 -0.146
124 HD12 LEU 14 HD12 LEU 14 6.549 -5.568 -1.079
125 HD13 LEU 14 HD13 LEU 14 6.216 -6.816 0.122
126 HD21 LEU 14 HD21 LEU 14 7.824 -4.077 2.542
127 HD22 LEU 14 HD22 LEU 14 8.665 -5.281 1.565
128 HD23 LEU 14 HD23 LEU 14 7.438 -5.788 2.726
129 H SER 15 HN SER 15 4.124 -1.226 0.056
130 HA SER 15 HA SER 15 5.752 0.790 -1.283
131 HB2 SER 15 HB2 SER 15 4.260 -0.167 -2.810
132 HB3 SER 15 HB1 SER 15 2.941 -0.207 -1.641
133 HG SER 15 HG SER 15 2.520 1.472 -3.009
134 H LEU 16 HN LEU 16 3.681 0.473 1.437
135 HA LEU 16 HA LEU 16 2.682 3.118 1.554
136 HB2 LEU 16 HB2 LEU 16 2.154 0.869 2.932
137 HB3 LEU 16 HB1 LEU 16 3.182 1.683 4.093
138 HG LEU 16 HG LEU 16 1.632 3.699 3.811
139 HD11 LEU 16 HD11 LEU 16 -0.727 2.916 3.194
140 HD12 LEU 16 HD12 LEU 16 0.076 1.572 2.383
141 HD13 LEU 16 HD13 LEU 16 0.409 3.230 1.883
142 HD21 LEU 16 HD21 LEU 16 0.154 1.395 4.987
143 HD22 LEU 16 HD22 LEU 16 0.399 3.022 5.622
144 HD23 LEU 16 HD23 LEU 16 1.716 1.850 5.668
145 H ALA 17 HN ALA 17 5.732 1.714 2.363
146 HA ALA 17 HA ALA 17 6.523 4.090 3.911
147 HB1 ALA 17 HB1 ALA 17 8.330 1.721 3.407
148 HB2 ALA 17 HB2 ALA 17 7.183 1.793 4.755
149 HB3 ALA 17 HB3 ALA 17 8.475 2.980 4.630
150 H HIS 18 HN HIS 18 6.941 2.700 0.780
151 HA HIS 18 HA HIS 18 9.190 4.439 0.135
152 HB2 HIS 18 HB2 HIS 18 9.624 3.037 -1.589
153 HB3 HIS 18 HB1 HIS 18 8.595 1.933 -0.688
154 HD1 HIS 18 HD1 HIS 18 5.830 3.006 -1.484
155 HD2 HIS 18 HD2 HIS 18 8.962 2.450 -4.155
156 HE1 HIS 18 HE1 HIS 18 4.752 2.771 -3.743
157 HE2 HIS 18 HE2 HIS 18 6.662 2.352 -5.332
158 H ALA 19 HN ALA 19 5.778 4.512 -0.046
159 HA ALA 19 HA ALA 19 5.710 6.389 -2.260
160 HB1 ALA 19 HB1 ALA 19 3.917 4.875 -2.297
161 HB2 ALA 19 HB2 ALA 19 3.222 6.393 -1.728
162 HB3 ALA 19 HB3 ALA 19 3.581 5.103 -0.581
163 H GLN 20 HN GLN 20 5.801 6.444 1.181
164 HA GLN 20 HA GLN 20 4.674 9.072 1.458
165 HB2 GLN 20 HB2 GLN 20 5.113 8.849 3.778
166 HB3 GLN 20 HB1 GLN 20 4.606 7.263 3.212
167 HG2 GLN 20 HG2 GLN 20 7.080 6.717 3.015
168 HG3 GLN 20 HG1 GLN 20 7.362 8.184 3.951
169 HE21 GLN 20 HE21 GLN 20 4.908 5.635 4.155
170 HE22 GLN 20 HE22 GLN 20 5.216 5.231 5.807
171 H LEU 21 HN LEU 21 7.813 7.755 0.859
172 HA LEU 21 HA LEU 21 9.153 10.233 1.593
173 HB2 LEU 21 HB2 LEU 21 10.402 7.800 0.338
174 HB3 LEU 21 HB1 LEU 21 11.203 9.079 1.231
175 HG LEU 21 HG LEU 21 9.145 7.519 2.692
176 HD11 LEU 21 HD11 LEU 21 10.589 5.670 3.129
177 HD12 LEU 21 HD12 LEU 21 11.892 6.393 2.186
178 HD13 LEU 21 HD13 LEU 21 10.428 5.828 1.380
179 HD21 LEU 21 HD21 LEU 21 11.846 8.032 3.759
180 HD22 LEU 21 HD22 LEU 21 10.266 8.231 4.516
181 HD23 LEU 21 HD23 LEU 21 10.869 9.456 3.400
182 H SER 22 HN SER 22 7.909 8.634 -1.198
183 HA SER 22 HA SER 22 9.433 10.340 -3.015
184 HB2 SER 22 HB2 SER 22 8.438 8.979 -4.805
185 HB3 SER 22 HB1 SER 22 9.219 7.963 -3.594
186 HG SER 22 HG SER 22 7.317 7.000 -3.767
187 H SER 23 HN SER 23 7.152 11.203 -1.160
188 HA SER 23 HA SER 23 5.601 12.580 -3.248
189 HB2 SER 23 HB2 SER 23 4.631 10.841 -1.130
190 HB3 SER 23 HB1 SER 23 3.908 12.447 -1.035
191 HG SER 23 HG SER 23 3.166 10.541 -2.609
192 H LYS 24 HN LYS 24 7.975 13.308 -1.550
193 HA LYS 24 HA LYS 24 8.780 15.149 -0.491
194 HB2 LYS 24 HB2 LYS 24 6.429 16.094 -1.958
195 HB3 LYS 24 HB1 LYS 24 6.829 17.094 -0.568
196 HG2 LYS 24 HG2 LYS 24 7.879 17.894 -2.630
197 HG3 LYS 24 HG1 LYS 24 9.068 17.435 -1.410
198 HD2 LYS 24 HD2 LYS 24 10.031 16.208 -3.010
199 HD3 LYS 24 HD1 LYS 24 8.669 15.100 -2.830
200 HE2 LYS 24 HE2 LYS 24 8.774 15.565 -5.129
201 HE3 LYS 24 HE1 LYS 24 7.458 16.567 -4.520
202 HZ1 LYS 24 HZ1 LYS 24 8.571 18.448 -4.970
203 HZ2 LYS 24 HZ2 LYS 24 9.443 17.481 -6.049
204 HZ3 LYS 24 HZ3 LYS 24 10.074 17.816 -4.516
205 H LYS 25 HN LYS 25 9.021 15.260 1.632
206 HA LYS 25 HA LYS 25 6.911 14.502 3.417
207 HB2 LYS 25 HB2 LYS 25 9.663 14.463 3.533
208 HB3 LYS 25 HB1 LYS 25 9.254 15.774 4.632
209 HG2 LYS 25 HG2 LYS 25 7.485 13.746 5.301
210 HG3 LYS 25 HG1 LYS 25 9.009 12.916 4.985
211 HD2 LYS 25 HD2 LYS 25 8.843 15.351 6.741
212 HD3 LYS 25 HD1 LYS 25 8.597 13.720 7.369
213 HE2 LYS 25 HE2 LYS 25 10.784 13.188 7.210
214 HE3 LYS 25 HE1 LYS 25 11.000 14.089 5.710
215 HZ1 LYS 25 HZ1 LYS 25 11.842 14.842 8.211
216 HZ2 LYS 25 HZ2 LYS 25 10.505 15.832 7.907
217 HZ3 LYS 25 HZ3 LYS 25 11.806 15.813 6.826