data_1u0i_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1u0i _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.268 -0.271 . . . . 64.310000000000002 110.268 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 pp -66.66 -21.23 28.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.506 1.129 . . . . 72.420000000000002 109.295 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.25 -21.65 59.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 73.019999999999996 109.353 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.65 -30.09 22.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 64.239999999999995 109.317 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.7 mt -70.87 -41.19 71.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 63.420000000000002 109.264 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -74.75 -30.86 61.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 54.420000000000002 110.338 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 0.8 OUTLIER -69.46 -32.68 71.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 74.200000000000003 109.287 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -68.06 -25.66 65.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 74.030000000000001 110.266 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.408 ' CD1' HG21 ' B' ' 9' ' ' ILE . 3.6 mm -54.14 -46.3 66.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.538 1.148 . . . . 75.219999999999999 109.335 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.43 -26.64 68.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.418 1.074 . . . . 72.129999999999995 109.319 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.13 -55.35 22.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 63.439999999999998 109.311 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.405 HD23 ' CA ' ' B' ' 13' ' ' LYS . 0.8 OUTLIER -68.78 -23.13 64.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 75.329999999999998 109.372 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.429 ' O ' ' CG2' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -72.08 -37.8 69.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 73.120000000000005 110.264 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -74.76 -34.04 62.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 75.510000000000005 109.307 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.14 -41.04 99.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 72.299999999999997 110.26 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.429 ' CG2' ' O ' ' A' ' 13' ' ' GLU . 7.2 tt -60.24 -25.4 33.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 74.329999999999998 109.267 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.412 ' N ' HG22 ' A' ' 16' ' ' ILE . . . -65.72 -24.27 66.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 75.030000000000001 109.256 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.16 -28.04 62.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 72.109999999999999 109.304 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.4 ' HG ' ' N ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -53.56 -39.13 64.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 61.350000000000001 109.324 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.4 ' N ' ' HG ' ' A' ' 19' ' ' LEU . 4.0 tt0 -78.8 -57.42 3.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 71.230000000000004 110.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 64.420000000000002 109.294 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.296 -0.631 . . . . 73.549999999999997 109.296 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp -68.19 -35.22 70.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 73.549999999999997 109.257 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.34 -29.68 68.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 74.209999999999994 109.237 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.38 -59.26 4.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 61.219999999999999 109.295 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.18 -44.76 78.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 72.329999999999998 109.289 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.97 -28.06 9.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 74.040000000000006 109.281 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -78.3 -48.0 16.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 74.409999999999997 110.309 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.44 -51.71 64.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.405 1.065 . . . . 74.310000000000002 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.408 HG21 ' CD1' ' A' ' 9' ' ' ILE . 40.4 pt -61.57 -30.97 49.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 74.340000000000003 109.311 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.7 -25.66 65.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 75.319999999999993 109.267 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.58 -47.89 13.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 72.219999999999999 109.302 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.81 -29.74 70.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.185 . . . . 74.549999999999997 109.29 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.405 ' CA ' HD23 ' A' ' 12' ' ' LEU . 17.3 tttp -67.74 -35.4 78.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 74.140000000000001 109.261 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -81.23 -30.86 34.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 75.340000000000003 110.309 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.19 -54.23 27.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 75.140000000000001 109.344 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 pp -63.32 -35.56 72.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 54.299999999999997 109.296 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.2 -29.99 71.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 54.109999999999999 109.287 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.99 -59.18 2.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 74.109999999999999 109.261 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -32.68 65.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 75.030000000000001 109.337 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.45 -50.56 62.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.401 1.063 . . . . 73.219999999999999 109.233 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 75.239999999999995 110.254 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.341 -0.244 . . . . 71.299999999999997 110.341 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.8 pt -85.83 -25.9 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 74.109999999999999 109.297 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.92 -49.52 77.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 75.129999999999995 109.281 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.67 78.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 61.409999999999997 109.345 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tp -55.92 -53.48 56.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 74.25 109.304 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -56.9 -33.89 67.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 74.209999999999994 110.292 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.87 -29.6 62.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 74.400000000000006 109.277 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.96 -51.81 23.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 71.140000000000001 110.322 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pt -66.29 -25.87 36.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.578 1.174 . . . . 74.109999999999999 109.308 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.12 -32.93 72.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 73.530000000000001 109.288 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.11 -44.37 30.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 75.530000000000001 109.368 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -45.31 -55.23 6.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 64.430000000000007 109.278 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -55.04 -33.62 62.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 71.109999999999999 110.256 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -75.15 -27.2 59.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 72.120000000000005 109.26 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.55 -51.03 15.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 75.549999999999997 110.328 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.8 pt -68.95 -34.05 62.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 64.109999999999999 109.329 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.21 -35.05 34.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 74.319999999999993 109.266 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.03 -38.88 61.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 64.010000000000005 109.32 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.75 -50.31 74.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 73.400000000000006 109.323 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.52 -56.26 21.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 74.239999999999995 110.308 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 72.120000000000005 109.268 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.282 -0.636 . . . . 72.319999999999993 109.282 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 35.1 pt -106.14 -38.07 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 73.129999999999995 109.269 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.42 -34.56 69.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 74.510000000000005 109.293 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.47 -46.25 60.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 60.240000000000002 109.357 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.76 -32.59 65.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 75.230000000000004 109.349 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -65.94 -34.03 77.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 70.120000000000005 109.265 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -77.94 -33.81 51.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 72.25 110.327 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -48.02 83.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 64.319999999999993 109.328 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 45.5 pt -64.08 -35.98 75.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.605 1.191 . . . . 75.109999999999999 109.309 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.37 -41.59 69.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 73.129999999999995 109.303 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.67 -43.96 83.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.591 1.182 . . . . 74.519999999999996 109.313 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.59 -32.2 65.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 75.230000000000004 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -37.16 76.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 72.129999999999995 109.306 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -73.85 -33.68 64.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 71.140000000000001 110.321 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.99 -53.49 49.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 75.329999999999998 109.302 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 25.7 pt -55.78 -33.28 33.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 70.400000000000006 109.297 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.48 -31.8 6.91 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.53 1.144 . . . . 64.319999999999993 109.357 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.07 -56.72 6.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 72.329999999999998 109.351 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.72 -33.69 35.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 65.319999999999993 109.32 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -52.78 42.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 72.120000000000005 109.354 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.17 . . . . 74.340000000000003 110.372 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.302 -0.258 . . . . 63.340000000000003 110.302 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 25.0 mt -102.69 -43.87 9.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 75.140000000000001 109.334 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.78 -27.51 63.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 72.340000000000003 109.341 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.9 -33.6 74.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 75.129999999999995 109.259 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.5 mt -66.34 -35.57 80.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 74.219999999999999 109.324 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.9 -31.21 56.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.075 . . . . 64.439999999999998 110.296 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -74.08 -31.89 63.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 71.420000000000002 109.295 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.34 -54.77 27.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 73.040000000000006 110.364 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.411 ' CG2' HD11 ' B' ' 9' ' ' ILE . 2.0 pp -64.98 -36.76 78.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 73.329999999999998 109.345 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.89 -26.29 65.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 72.140000000000001 109.337 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.6 -49.88 13.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 71.430000000000007 109.34 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.453 ' HG ' ' CD1' ' B' ' 12' ' ' LEU . 1.2 mm? -58.26 -54.16 50.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 64.099999999999994 109.284 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -50.0 -38.94 39.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 72.219999999999999 110.315 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -37.51 79.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 74.329999999999998 109.342 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -65.1 -43.1 93.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 71.010000000000005 110.304 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.406 ' CG2' ' HB3' ' B' ' 19' ' ' LEU . 9.4 mm -73.73 -33.02 36.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 72.409999999999997 109.301 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.66 -24.72 35.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 73.129999999999995 109.28 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.84 -31.88 68.72 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.152 . . . . 64.109999999999999 109.248 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.406 ' CB ' ' HB2' ' B' ' 19' ' ' LEU . 3.9 mm? -72.6 -51.92 17.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 74.049999999999997 109.332 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.29 -53.81 53.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 74.439999999999998 110.257 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 74.340000000000003 109.346 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.281 -0.637 . . . . 71.120000000000005 109.281 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 15.4 mm -122.33 -55.89 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 73.040000000000006 109.255 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.92 -24.53 62.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 73.5 109.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.78 -60.65 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 64.420000000000002 109.247 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.422 ' N ' ' CD1' ' B' ' 5' ' ' LEU . 0.1 OUTLIER -53.93 -35.24 61.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 74.420000000000002 109.285 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -61.57 -37.14 82.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 74.230000000000004 109.265 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -75.03 -35.68 61.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 110.31 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -56.55 -29.46 62.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 75.430000000000007 109.332 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.411 HD11 ' CG2' ' A' ' 9' ' ' ILE . 47.9 mm -52.75 -42.59 42.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 75.319999999999993 109.353 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.41 -24.16 67.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 72.200000000000003 109.327 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.17 -38.34 87.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.107 . . . . 75.430000000000007 109.253 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.453 ' CD1' ' HG ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -63.4 -40.2 96.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 73.430000000000007 109.283 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -34.46 78.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 75.340000000000003 109.241 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -77.67 -28.57 51.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 75.129999999999995 110.275 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -37.65 82.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 71.209999999999994 109.336 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 67.2 mt -60.01 -32.3 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 71.239999999999995 109.319 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.21 -45.73 79.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 63.32 109.251 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.72 -54.7 25.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 74.140000000000001 109.25 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.451 ' CD1' ' C ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -52.4 -50.46 62.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 74.329999999999998 109.301 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.41 ' N ' ' HG ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -49.19 -51.32 33.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 74.510000000000005 109.263 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 75.510000000000005 110.312 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.344 -0.243 . . . . 63.329999999999998 110.344 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.2 mp -114.63 -39.46 2.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.505 1.128 . . . . 71.129999999999995 109.302 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.65 -21.13 66.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.145 . . . . 72.540000000000006 109.316 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.9 -54.08 51.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 74.319999999999993 109.293 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.48 -39.99 74.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 72.219999999999999 109.305 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -66.84 -34.34 77.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 72.299999999999997 110.307 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.4 tttt -74.57 -31.02 61.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.394 1.059 . . . . 63.530000000000001 109.266 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -69.83 -54.77 12.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 65.409999999999997 110.339 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.97 -37.57 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 74.209999999999994 109.29 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.34 -31.33 71.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 72.129999999999995 109.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.32 -49.26 64.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 74.209999999999994 109.315 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.448 ' HG ' ' CD1' ' B' ' 12' ' ' LEU . 4.1 mm? -61.34 -40.36 93.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 74.230000000000004 109.265 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -49.22 -30.53 7.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 62.100000000000001 110.31 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.73 -42.09 61.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 64.219999999999999 109.282 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -54.72 25.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 72.530000000000001 110.333 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 pt -62.07 -32.82 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 74.230000000000004 109.284 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.4 -32.23 25.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 63.32 109.276 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.17 -44.18 66.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 74.239999999999995 109.311 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 tp -53.42 -47.76 69.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 74.150000000000006 109.261 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.52 -56.0 24.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 73.439999999999998 110.279 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.327 -0.41 0 O-C-N 124.493 1.121 . . . . 64.230000000000004 109.293 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 2.3 tttm . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.298 -0.63 . . . . 75.129999999999995 109.298 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 mt -74.99 -49.37 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 74.230000000000004 109.293 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.05 -26.97 65.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 70.439999999999998 109.348 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.29 -63.22 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 71.439999999999998 109.316 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -58.73 -43.41 90.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 73.200000000000003 109.29 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.5 -31.93 37.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 74.129999999999995 109.337 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -77.22 -32.15 55.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 72.340000000000003 110.283 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -32.96 70.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.088 . . . . 71.430000000000007 109.336 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 55.3 mt -61.86 -31.14 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 65.450000000000003 109.3 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.83 -23.13 62.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 74.409999999999997 109.297 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.22 -48.13 10.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 74.310000000000002 109.218 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.492 ' CD1' ' C ' ' B' ' 12' ' ' LEU . 0.5 OUTLIER -60.77 -29.76 69.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 74.340000000000003 109.273 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -72.67 -45.13 60.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 72.319999999999993 109.314 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -27.52 64.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 64.129999999999995 110.273 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -54.53 6.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 75.140000000000001 109.35 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.469 ' CG2' ' O ' ' B' ' 12' ' ' LEU . 16.8 pt -56.75 -32.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 73.420000000000002 109.263 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.21 -35.62 80.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 74.349999999999994 109.247 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.39 -59.6 4.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 61.109999999999999 109.337 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -51.76 -46.64 64.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 75.319999999999993 109.301 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -51.63 40.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 75.340000000000003 109.298 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 74.030000000000001 110.323 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.334 -0.247 . . . . 61.140000000000001 110.334 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.7 mt -64.45 -58.34 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 71.519999999999996 109.305 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.53 -21.4 62.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 71.349999999999994 109.184 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.92 -37.35 62.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 74.209999999999994 109.288 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -52.65 -42.08 64.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 73.120000000000005 109.361 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.409 ' N ' ' HG ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -58.63 -34.15 70.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 75.299999999999997 110.257 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -73.96 -28.18 61.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 75.5 109.242 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.75 -54.66 7.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 74.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pt -63.95 -25.21 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 64.010000000000005 109.314 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.41 -28.74 70.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 51.450000000000003 109.279 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.89 99.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 72.409999999999997 109.362 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 tp -51.81 -48.2 63.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 73.109999999999999 109.288 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -54.17 -37.14 64.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.379 1.05 . . . . 74.420000000000002 110.301 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.81 -28.25 60.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.158 . . . . 74.349999999999994 109.243 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -70.95 -52.99 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 72.319999999999993 110.303 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.5 pp -61.73 -28.35 43.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 74.430000000000007 109.366 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.57 -28.02 68.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 72.010000000000005 109.307 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.7 -46.89 12.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 63.32 109.271 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -53.48 53.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 72.540000000000006 109.353 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.85 -49.09 79.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 75.310000000000002 110.234 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 73.329999999999998 109.272 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.2 mttt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.369 -0.604 . . . . 75.409999999999997 109.369 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 1.2 mp -87.65 -63.9 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 73.319999999999993 109.307 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.48 -27.08 46.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 55.039999999999999 109.29 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.98 -31.59 29.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.168 . . . . 72.430000000000007 109.269 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 pp -55.97 -41.4 74.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 71.040000000000006 109.254 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.16 -48.6 70.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 74.420000000000002 109.31 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.53 -46.65 89.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 72.549999999999997 110.369 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -43.97 74.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 74.340000000000003 109.245 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 69.1 mt -71.83 -32.66 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 71.120000000000005 109.295 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.07 -35.74 81.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 55.240000000000002 109.302 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.29 -44.37 68.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 71.040000000000006 109.228 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.442 ' CD1' ' C ' ' B' ' 12' ' ' LEU . 0.2 OUTLIER -65.79 -33.99 77.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 72.450000000000003 109.253 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -60.34 -30.78 69.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 75.230000000000004 109.273 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -81.44 -45.4 16.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 74.019999999999996 110.297 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -51.65 66.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.525 1.14 . . . . 73.409999999999997 109.341 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 1.4 pp -62.31 -31.46 51.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 74.219999999999999 109.293 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.34 -41.41 60.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 74.019999999999996 109.323 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.62 -60.3 4.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 72.420000000000002 109.29 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.01 -31.27 40.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 72.219999999999999 109.333 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -47.43 81.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 74.430000000000007 109.253 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 74.400000000000006 110.287 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.324 -0.25 . . . . 61.329999999999998 110.324 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.5 pt -57.62 -26.86 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 73.5 109.292 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.11 -39.63 68.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 75.230000000000004 109.239 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.16 -58.14 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 73.219999999999999 109.268 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.431 ' CD1' ' HA ' ' B' ' 2' ' ' ILE . 0.5 OUTLIER -58.78 -41.96 87.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 74.340000000000003 109.309 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.48 -38.14 71.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 71.239999999999995 110.266 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.87 -25.76 62.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 74.319999999999993 109.248 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.464 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 2.7 tt0 -67.25 -42.46 83.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 75.030000000000001 110.343 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.449 HG22 ' CG2' ' B' ' 9' ' ' ILE . 0.7 OUTLIER -65.98 -30.62 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.118 . . . . 71.420000000000002 109.244 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -63.61 -26.16 68.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 75.519999999999996 109.253 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.77 -37.86 62.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 64.549999999999997 109.329 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.464 ' CD2' ' O ' ' A' ' 8' ' ' GLU . 2.1 mm? -82.82 -20.84 34.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 74.510000000000005 109.275 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -36.91 70.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 54.340000000000003 110.349 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.37 -29.02 56.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 75.540000000000006 109.218 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.18 -54.67 16.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 73.019999999999996 110.342 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 pp -60.93 -26.58 39.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 71.430000000000007 109.283 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.94 -37.83 54.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 72.099999999999994 109.283 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.51 -51.75 26.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 73.040000000000006 109.313 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -27.2 37.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 72.129999999999995 109.333 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.19 -58.6 3.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 73.25 110.322 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mttm . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 73.439999999999998 109.277 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.275 -0.639 . . . . 73.409999999999997 109.275 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . 0.431 ' HA ' ' CD1' ' A' ' 5' ' ' LEU . 34.2 pt -52.35 -39.45 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 72.219999999999999 109.312 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.419 ' N ' HG13 ' B' ' 2' ' ' ILE . . . -71.85 -28.52 63.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 75.230000000000004 109.264 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.35 -56.16 16.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 71.340000000000003 109.301 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -54.13 -35.39 62.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 71.129999999999995 109.256 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -31.94 50.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 75.030000000000001 109.321 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -78.32 -31.64 48.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 73.319999999999993 110.281 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.42 ' O ' ' CD2' ' B' ' 12' ' ' LEU . 2.5 mmmt -69.67 -54.9 11.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.535 1.147 . . . . 73.540000000000006 109.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.449 ' CG2' HG22 ' A' ' 9' ' ' ILE . 2.5 pp -56.14 -39.26 57.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 72.209999999999994 109.303 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.25 -29.53 66.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.592 1.182 . . . . 75.120000000000005 109.289 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.22 -65.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.413 1.071 . . . . 63.43 109.28 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.42 ' CD2' ' O ' ' B' ' 8' ' ' LYS . 0.9 OUTLIER -53.83 -37.38 63.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 64.510000000000005 109.259 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -51.97 -31.47 29.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 74.040000000000006 109.295 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.29 -31.85 38.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 72.219999999999999 110.275 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -68.21 -54.71 15.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 65.049999999999997 109.267 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -38.91 76.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 70.519999999999996 109.258 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.03 -31.41 29.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.5 1.125 . . . . 75.030000000000001 109.304 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.96 -59.67 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 73.019999999999996 109.329 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -53.61 -33.91 56.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 72.239999999999995 109.276 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -64.29 -44.24 92.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 75.150000000000006 109.29 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 73.209999999999994 110.327 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.406 ' N ' HG23 ' B' ' 2' ' ' ILE . 10.0 mm-40 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.363 -0.236 . . . . 71.430000000000007 110.363 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.9 pt -92.07 -25.73 5.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 70.519999999999996 109.325 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.38 -22.97 67.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.145 . . . . 71.340000000000003 109.366 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.02 -33.5 68.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.413 1.07 . . . . 61.119999999999997 109.248 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' B' ' 5' ' ' LEU . 5.1 tp -64.82 -31.72 73.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 74.299999999999997 109.289 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -46.85 67.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 74.319999999999993 110.282 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -27.73 61.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 75.439999999999998 109.336 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.449 ' CB ' HD13 ' B' ' 9' ' ' ILE . 9.0 mm-40 -70.62 -52.18 23.06 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.504 1.128 . . . . 74.129999999999995 110.293 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.9 pt -57.01 -32.5 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 75.209999999999994 109.31 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.56 -26.91 46.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 75.150000000000006 109.366 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 14' ' ' LYS . . . -72.29 -47.6 48.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 70.010000000000005 109.228 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.488 ' CD1' ' C ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -43.61 -38.87 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 74.530000000000001 109.316 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -68.02 -44.54 76.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 74.340000000000003 110.3 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' ALA . 1.4 tttt -65.99 -25.56 67.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 73.099999999999994 109.28 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -70.85 -51.55 25.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 74.120000000000005 110.272 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -68.31 -26.61 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 73.129999999999995 109.285 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.66 -27.75 12.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 74.109999999999999 109.293 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.26 -43.4 23.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 73.030000000000001 109.334 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.485 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -54.5 -45.98 73.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 71.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.416 ' N ' HD11 ' A' ' 19' ' ' LEU . 3.4 tt0 -71.55 -46.72 58.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 74.439999999999998 110.392 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 75.430000000000007 109.291 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.318 -0.623 . . . . 75.209999999999994 109.318 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 1' ' ' GLU . 1.3 mt -115.88 -50.99 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 75.450000000000003 109.275 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.99 -29.4 65.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 64.420000000000002 109.248 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.85 -28.66 66.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.183 . . . . 73.0 109.313 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.46 ' HB3' ' CD1' ' A' ' 5' ' ' LEU . 13.1 mt -74.85 -34.4 62.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 74.109999999999999 109.29 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -55.47 -50.38 70.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 73.530000000000001 109.287 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -58.08 -33.71 69.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 54.520000000000003 110.316 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -58.11 -51.36 70.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 74.120000000000005 109.319 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.449 HD13 ' CB ' ' A' ' 8' ' ' GLU . 4.6 mt -53.89 -41.48 49.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 75.140000000000001 109.323 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.51 -26.2 65.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.59 1.182 . . . . 71.129999999999995 109.326 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.34 -40.01 77.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 62.310000000000002 109.315 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.38 -39.85 45.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 74.310000000000002 109.281 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -57.21 -35.92 70.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 74.25 109.304 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -35.86 81.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 75.450000000000003 110.361 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -59.51 -50.61 73.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 75.549999999999997 109.313 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.418 HG21 ' N ' ' B' ' 17' ' ' ALA . 0.0 OUTLIER -67.43 -31.03 50.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 74.430000000000007 109.352 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.456 ' HA ' ' CG ' ' B' ' 20' ' ' LYS . . . -51.65 -25.98 8.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 71.209999999999994 109.265 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.02 -33.3 33.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 63.43 109.261 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.462 ' CD1' ' HG ' ' A' ' 19' ' ' LEU . 17.2 mt -70.26 -44.51 68.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 73.530000000000001 109.333 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.456 ' CG ' ' HA ' ' B' ' 17' ' ' ALA . 0.0 OUTLIER -71.33 -30.34 66.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 75.200000000000003 109.276 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 63.140000000000001 110.261 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.343 -0.243 . . . . 62.530000000000001 110.343 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.9 mm -80.06 -27.93 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 72.129999999999995 109.27 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.66 -24.78 56.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 71.439999999999998 109.272 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.77 -44.38 90.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 73.549999999999997 109.344 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 mt -64.65 -31.91 73.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 73.219999999999999 109.254 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -39.27 70.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 73.439999999999998 110.287 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.49 -26.48 60.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 64.420000000000002 109.325 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.58 -49.75 76.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 74.219999999999999 110.344 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.06 -27.84 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 73.329999999999998 109.293 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.48 -33.63 71.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 73.230000000000004 109.29 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.54 -60.56 2.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 72.129999999999995 109.334 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.409 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 2.0 mp -47.9 -46.67 31.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 71.239999999999995 109.323 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -57.45 -35.03 69.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 72.030000000000001 110.243 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -37.7 78.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 73.239999999999995 109.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -58.56 -53.9 53.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 74.310000000000002 110.324 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 8.3 tp -64.5 -27.38 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 73.319999999999993 109.292 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.65 -32.19 70.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 74.409999999999997 109.321 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.55 -33.22 64.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 74.209999999999994 109.286 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.7 tp -65.65 -60.72 2.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 75.400000000000006 109.297 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -52.33 -55.95 18.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 74.109999999999999 110.303 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 74.120000000000005 109.245 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.315 -0.624 . . . . 75.340000000000003 109.315 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 pt -99.92 -36.93 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 73.540000000000006 109.26 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.95 -32.6 67.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 73.340000000000003 109.294 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.53 -58.48 4.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 73.120000000000005 109.231 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.47 -32.99 73.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 72.400000000000006 109.291 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -63.93 -31.58 72.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 74.430000000000007 109.25 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -77.76 -31.21 51.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 62.420000000000002 110.261 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -71.98 -54.28 10.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 75.439999999999998 109.309 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.408 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 1.9 pp -56.88 -37.26 53.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 75.099999999999994 109.307 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.78 -23.09 62.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 65.019999999999996 109.341 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.12 -52.02 57.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 73.019999999999996 109.308 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.56 -30.97 67.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 72.530000000000001 109.321 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -30.58 59.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 75.140000000000001 109.362 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.53 -28.18 51.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 74.310000000000002 110.343 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -73.77 -50.5 20.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 75.219999999999999 109.309 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.406 HG13 ' N ' ' B' ' 17' ' ' ALA . 1.2 pp -70.57 -32.07 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.404 1.065 . . . . 74.549999999999997 109.345 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.406 ' N ' HG13 ' B' ' 16' ' ' ILE . . . -47.94 -36.4 12.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 72.340000000000003 109.287 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -47.99 60.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 70.409999999999997 109.362 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -52.62 -51.91 57.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 72.439999999999998 109.322 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -51.38 -50.08 60.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 74.140000000000001 109.275 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 74.019999999999996 110.289 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.338 -0.245 . . . . 72.400000000000006 110.338 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.0 mt -75.73 -54.4 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 70.310000000000002 109.281 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.94 -33.92 65.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 72.340000000000003 109.318 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.07 -29.61 69.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 53.240000000000002 109.287 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' B' ' 5' ' ' LEU . 0.2 OUTLIER -61.51 -36.19 79.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 72.219999999999999 109.216 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -68.61 -39.24 80.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 71.129999999999995 110.303 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -25.64 59.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 73.420000000000002 109.248 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.54 -54.51 6.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 71.109999999999999 110.295 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 pp -57.5 -34.97 48.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 74.129999999999995 109.296 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.8 -38.33 88.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.567 1.167 . . . . 74.349999999999994 109.302 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.71 -64.97 0.66 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.141 . . . . 74.510000000000005 109.339 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.409 ' HB3' ' CB ' ' B' ' 12' ' ' LEU . 2.6 mm? -54.04 -42.85 69.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 74.329999999999998 109.294 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -57.65 -35.72 70.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 73.310000000000002 110.297 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.49 -27.16 64.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 73.129999999999995 109.292 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -77.23 -49.0 16.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 71.510000000000005 110.329 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.5 pp -70.38 -27.6 32.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.422 1.077 . . . . 75.239999999999995 109.338 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.95 -31.96 71.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 73.420000000000002 109.294 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.23 -29.43 62.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 75.140000000000001 109.33 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.419 ' CD1' ' HB2' ' B' ' 19' ' ' LEU . 6.7 tp -67.24 -58.54 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 74.530000000000001 109.248 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -53.06 -56.42 16.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 75.099999999999994 110.319 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 75.129999999999995 109.293 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 tptt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.341 -0.615 . . . . 70.319999999999993 109.341 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 1.3 pt -52.87 -37.46 25.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 71.340000000000003 109.326 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.52 -30.04 71.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 53.450000000000003 109.23 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.25 -29.03 62.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 73.439999999999998 109.24 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -69.51 -32.44 71.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 74.340000000000003 109.312 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -63.71 -36.61 84.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 74.540000000000006 109.333 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.43 -32.03 48.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 72.040000000000006 110.245 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -66.64 -54.88 18.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 74.400000000000006 109.311 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 pp -55.1 -44.98 76.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 74.209999999999994 109.335 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.35 -27.36 67.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 74.209999999999994 109.33 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.86 -52.89 17.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 74.140000000000001 109.276 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.409 ' CB ' ' HB3' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -64.44 -29.77 70.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 73.099999999999994 109.279 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -71.67 -35.13 70.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 74.400000000000006 109.293 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -29.79 63.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 72.049999999999997 110.369 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.35 -54.67 6.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 75.400000000000006 109.239 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.1 -34.08 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 74.439999999999998 109.32 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.44 -33.59 59.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 75.239999999999995 109.279 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.74 -49.12 67.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 62.030000000000001 109.312 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.419 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 3.7 tp -58.65 -44.71 90.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 75.140000000000001 109.264 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -44.15 71.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 74.25 109.297 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 74.209999999999994 110.329 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.364 -0.236 . . . . 73.510000000000005 110.364 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp -63.08 -23.32 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 75.530000000000001 109.242 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.94 -28.77 63.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 73.209999999999994 109.258 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.14 -41.81 57.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 75.150000000000006 109.264 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.425 ' CD2' HG23 ' B' ' 2' ' ' ILE . 2.7 mm? -70.57 -41.39 72.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 74.340000000000003 109.296 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -61.44 -31.76 71.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 75.230000000000004 110.274 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -69.59 -32.87 71.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.085 . . . . 72.230000000000004 109.225 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.44 -30.06 70.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.485 1.116 . . . . 71.409999999999997 110.337 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.7 mt -56.47 -50.53 72.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 72.5 109.318 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.79 -26.44 67.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 61.299999999999997 109.329 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.25 -61.76 1.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 72.299999999999997 109.313 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -59.17 -30.77 68.42 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.509 1.131 . . . . 74.129999999999995 109.245 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.14 -35.35 76.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 71.519999999999996 110.301 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -70.16 -26.46 63.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 75.450000000000003 109.276 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.18 -52.48 58.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 74.200000000000003 110.311 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.5 pt -69.11 -27.68 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 75.5 109.268 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.36 -32.15 69.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 71.439999999999998 109.305 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.49 -46.29 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 71.120000000000005 109.304 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -56.39 -58.61 7.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 74.340000000000003 109.239 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -53.78 -41.02 66.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 64.329999999999998 110.294 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 tptt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 75.129999999999995 109.296 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' B' ' 4' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.2 -0.666 . . . . 74.400000000000006 109.2 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . 0.425 HG23 ' CD2' ' A' ' 5' ' ' LEU . 47.4 mt -50.75 -32.08 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 73.409999999999997 109.287 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.29 -33.54 73.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 70.329999999999998 109.307 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' B' ' 1' ' ' LYS . . . -62.89 -42.97 99.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 60.549999999999997 109.321 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -72.42 -43.81 63.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 74.319999999999993 109.335 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -53.03 -41.48 64.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 74.450000000000003 109.271 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -38.46 80.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 73.329999999999998 110.284 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.3 -52.74 60.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 73.010000000000005 109.318 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 45.6 pt -63.73 -31.49 53.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.172 . . . . 74.430000000000007 109.309 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.11 -26.01 65.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 71.420000000000002 109.316 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.81 -51.67 31.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 109.232 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -67.07 -34.32 77.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 73.420000000000002 109.324 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.55 -30.09 19.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 74.010000000000005 109.287 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -76.77 -30.29 56.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 74.140000000000001 110.334 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -74.89 -54.28 7.54 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.526 1.141 . . . . 70.25 109.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 pp -57.89 -32.2 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 75.329999999999998 109.308 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.22 -27.69 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.397 1.061 . . . . 75.329999999999998 109.281 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.68 -51.55 7.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 60.310000000000002 109.322 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.4 -29.72 36.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 73.310000000000002 109.289 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -68.99 -48.46 63.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 74.019999999999996 109.289 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 75.310000000000002 110.293 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.319 -0.252 . . . . 64.209999999999994 110.319 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.7 pt -80.82 -20.75 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 73.319999999999993 109.274 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.29 -22.06 64.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 75.430000000000007 109.308 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.09 -20.62 64.22 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 53.130000000000003 109.3 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.487 ' CD2' ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -53.65 -30.88 45.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 73.030000000000001 109.275 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.408 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 1.8 mt-10 -49.96 -32.16 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 74.230000000000004 110.319 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.94 -41.11 71.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 75.420000000000002 109.263 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -60.35 -29.82 69.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 64.329999999999998 110.351 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 mm -64.05 -48.22 86.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 75.040000000000006 109.33 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.13 -26.04 65.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 73.450000000000003 109.271 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.97 -56.25 19.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 52.530000000000001 109.306 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.29 -37.67 66.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.106 . . . . 75.519999999999996 109.309 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -52.62 -38.17 59.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 72.129999999999995 110.311 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -32.13 65.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 74.230000000000004 109.279 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.72 -51.24 63.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 65.219999999999999 110.338 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 17' ' ' ALA . 4.5 pt -65.02 -28.87 45.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 75.530000000000001 109.264 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.4 ' N ' HG13 ' A' ' 16' ' ' ILE . . . -52.71 -27.93 19.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 71.219999999999999 109.324 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.16 -47.89 32.87 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.09 . . . . 73.329999999999998 109.289 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 tp -54.2 -52.11 62.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 73.329999999999998 109.266 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -53.2 -58.12 8.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 74.239999999999995 110.298 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 75.439999999999998 109.262 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.314 -0.624 . . . . 74.519999999999996 109.314 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -45.89 -38.21 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 75.319999999999993 109.315 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.99 -41.76 67.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.171 . . . . 72.329999999999998 109.29 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.18 -61.8 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 61.229999999999997 109.312 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.438 ' HB2' ' CD2' ' A' ' 5' ' ' LEU . 1.8 pp -54.17 -34.1 59.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 74.430000000000007 109.317 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -63.66 -36.34 83.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 71.409999999999997 109.285 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -77.92 -32.27 51.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 75.420000000000002 110.315 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -48.69 78.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 73.5 109.256 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.408 HG13 ' N ' ' B' ' 10' ' ' ALA . 1.1 pt -71.74 -31.06 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 72.319999999999993 109.312 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.408 ' N ' HG13 ' B' ' 9' ' ' ILE . . . -51.68 -32.79 31.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 74.310000000000002 109.257 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.92 -61.8 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 73.030000000000001 109.315 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mt -55.96 -29.8 60.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 72.409999999999997 109.307 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -64.86 -38.39 90.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 74.109999999999999 109.322 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.84 -29.73 62.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 71.530000000000001 110.282 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -67.51 -53.14 31.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 74.129999999999995 109.308 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -68.1 -31.67 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 74.519999999999996 109.281 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.93 -27.02 4.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 72.209999999999994 109.214 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.52 -34.23 35.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 72.450000000000003 109.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' B' ' 16' ' ' ILE . 16.8 tp -65.01 -50.9 64.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 75.219999999999999 109.287 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.41 -52.99 41.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 75.400000000000006 109.31 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 74.439999999999998 110.324 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.341 -0.244 . . . . 75.120000000000005 110.341 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 pp -101.73 -32.77 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 75.219999999999999 109.337 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.0 -22.19 65.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 71.420000000000002 109.322 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.7 -50.06 47.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 73.239999999999995 109.3 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.78 -38.12 86.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 74.150000000000006 109.294 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.49 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 3.4 tt0 -59.72 -45.37 92.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 74.099999999999994 110.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.39 -25.5 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.627 1.204 . . . . 74.430000000000007 109.26 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.39 -40.52 64.25 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 71.530000000000001 110.313 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 0.8 OUTLIER -58.26 -25.52 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 72.129999999999995 109.346 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.31 -34.45 75.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 75.109999999999999 109.27 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.01 98.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 75.239999999999995 109.282 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.408 ' CD2' HG22 ' B' ' 9' ' ' ILE . 3.3 mm? -70.86 -25.81 62.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 74.5 109.261 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -36.48 83.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 70.230000000000004 110.185 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -69.09 -27.09 65.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 74.450000000000003 109.26 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.3 -26.75 63.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 70.439999999999998 110.342 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.2 mt -67.16 -31.08 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 71.430000000000007 109.314 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.86 -39.99 76.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 73.340000000000003 109.271 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.94 -43.27 8.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.183 . . . . 72.340000000000003 109.323 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.453 HD21 ' CD2' ' B' ' 19' ' ' LEU . 4.5 tp -53.32 -63.02 1.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.073 . . . . 75.299999999999997 109.381 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.61 -59.17 4.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.542 1.151 . . . . 72.430000000000007 110.354 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 73.340000000000003 109.249 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.313 -0.625 . . . . 71.519999999999996 109.313 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 2.0 pp -112.53 -34.0 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 73.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.29 -25.21 62.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 73.140000000000001 109.321 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.34 -59.09 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 72.120000000000005 109.215 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.14 -39.03 71.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 73.129999999999995 109.307 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -50.84 -44.91 59.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 73.430000000000007 109.299 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.26 -31.55 71.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 75.319999999999993 110.287 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -66.11 -33.39 75.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 65.150000000000006 109.267 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.408 HG22 ' CD2' ' A' ' 12' ' ' LEU . 39.6 mt -62.6 -49.05 85.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 74.430000000000007 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.32 -23.53 65.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 72.530000000000001 109.294 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.7 -66.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 73.400000000000006 109.29 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.61 -29.71 68.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 73.519999999999996 109.279 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 19.9 tttm -65.26 -34.05 77.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 74.129999999999995 109.261 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.49 -36.99 28.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 72.439999999999998 110.327 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -63.23 -54.18 41.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 74.409999999999997 109.284 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 2.1 pp -55.24 -33.6 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 73.310000000000002 109.244 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.6 -35.9 82.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 63.219999999999999 109.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.92 -33.58 76.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.126 . . . . 73.400000000000006 109.319 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.453 ' CD2' HD21 ' A' ' 19' ' ' LEU . 12.3 mt -75.91 -36.15 59.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 74.540000000000006 109.324 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -52.63 60.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 72.510000000000005 109.355 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 74.140000000000001 110.289 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.326 -0.25 . . . . 74.109999999999999 110.326 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.4 pt -123.22 -44.92 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 72.510000000000005 109.345 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.92 -24.23 50.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 73.530000000000001 109.305 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.27 -28.95 38.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 73.510000000000005 109.29 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.491 ' CD1' ' C ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -58.18 -43.27 87.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 74.549999999999997 109.309 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -75.07 -35.92 61.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 75.299999999999997 110.312 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -68.52 -26.15 65.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 75.319999999999993 109.325 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.91 -52.9 8.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 65.109999999999999 110.305 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 pt -69.43 -25.23 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 73.040000000000006 109.362 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.48 -28.81 9.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 74.340000000000003 109.328 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 14' ' ' LYS . . . -64.4 -38.52 91.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 64.230000000000004 109.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -44.41 -49.61 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 75.310000000000002 109.291 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -54.02 -38.07 64.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 70.209999999999994 110.306 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -75.15 -26.95 59.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 73.219999999999999 109.309 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.87 -52.22 21.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.079 . . . . 72.409999999999997 110.343 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.4 pt -64.72 -32.64 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 73.310000000000002 109.323 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.61 -27.3 38.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 72.120000000000005 109.305 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.77 -45.51 14.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 55.340000000000003 109.326 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tp -53.94 -55.0 31.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 75.230000000000004 109.301 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -60.85 -51.14 70.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 74.519999999999996 110.306 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.4 tttt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 75.25 109.255 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.268 -0.642 . . . . 71.420000000000002 109.268 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 pt -106.89 -28.35 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.497 1.123 . . . . 74.400000000000006 109.344 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.27 -31.91 73.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 71.129999999999995 109.332 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.87 -20.86 38.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 75.5 109.309 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -67.82 -39.12 83.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 71.329999999999998 109.281 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.474 ' N ' ' CD1' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -74.76 -44.57 49.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 74.439999999999998 109.377 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.37 -49.37 69.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 75.409999999999997 110.335 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.83 -51.43 69.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 74.219999999999999 109.331 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 mm -57.62 -31.05 38.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.157 . . . . 72.510000000000005 109.269 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.11 -36.55 79.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 73.450000000000003 109.286 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.32 -33.19 72.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 74.200000000000003 109.271 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -40.82 94.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 70.219999999999999 109.3 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -69.45 -33.69 73.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 74.129999999999995 109.254 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.93 -30.06 58.58 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.491 1.119 . . . . 74.319999999999993 110.268 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -75.19 -54.63 6.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 72.450000000000003 109.331 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 2.6 pp -59.63 -34.2 54.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 74.200000000000003 109.337 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.09 -43.79 41.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 72.109999999999999 109.275 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.28 -52.74 60.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 74.209999999999994 109.324 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.421 ' CD2' ' O ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -55.23 -43.67 74.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.168 . . . . 74.349999999999994 109.3 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.11 -49.3 76.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 74.430000000000007 109.324 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 64.200000000000003 110.332 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.283 -0.266 . . . . 73.219999999999999 110.283 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.1 pt -88.85 -22.29 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 73.540000000000006 109.321 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.02 -23.57 64.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 61.409999999999997 109.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.61 -21.05 24.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 73.519999999999996 109.262 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.499 ' CD2' ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -54.67 -31.95 58.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 74.099999999999994 109.224 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.456 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 2.2 tt0 -70.79 -33.3 70.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 73.030000000000001 110.262 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -73.68 -36.92 65.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 72.319999999999993 109.244 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -65.51 -54.84 22.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 64.25 110.304 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.41 ' CD1' ' CD2' ' A' ' 5' ' ' LEU . 85.6 mt -54.6 -39.19 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 73.140000000000001 109.301 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.82 -26.18 65.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 72.150000000000006 109.28 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.49 -50.24 33.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 71.439999999999998 109.325 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -47.29 78.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 75.109999999999999 109.224 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.456 ' HA ' ' CD1' ' A' ' 16' ' ' ILE . 11.5 tt0 -56.25 -50.57 70.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 74.030000000000001 110.323 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -52.84 -25.27 10.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 74.310000000000002 109.265 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -79.37 -39.71 31.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.416 1.073 . . . . 74.239999999999995 110.286 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 13' ' ' GLU . 4.7 mt -67.47 -52.97 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 75.430000000000007 109.267 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.17 -27.95 9.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 73.219999999999999 109.244 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.31 -46.04 68.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 109.267 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.471 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.53 -32.01 73.34 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.544 1.153 . . . . 72.150000000000006 109.251 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.09 -58.52 3.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 75.129999999999995 110.324 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 74.319999999999993 109.291 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.314 -0.624 . . . . 72.439999999999998 109.314 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 21.6 pt -73.87 -37.9 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 75.430000000000007 109.259 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.46 -27.77 64.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 74.329999999999998 109.344 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.42 -62.68 1.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 73.519999999999996 109.278 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.446 ' O ' ' CG1' ' B' ' 9' ' ' ILE . 3.6 pp -58.11 -33.46 69.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 75.150000000000006 109.319 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -32.5 74.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 70.109999999999999 109.273 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -78.35 -46.85 19.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.401 1.063 . . . . 64.439999999999998 110.254 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -55.41 -54.83 38.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 73.420000000000002 109.326 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.446 ' CG1' ' O ' ' B' ' 5' ' ' LEU . 1.6 pp -56.12 -30.99 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 63.439999999999998 109.296 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -36.53 80.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 74.409999999999997 109.248 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.39 -44.35 87.79 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.578 1.173 . . . . 74.109999999999999 109.253 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mt -72.43 -32.7 66.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 74.400000000000006 109.353 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -69.95 -29.09 66.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 72.519999999999996 109.305 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -80.99 -29.56 35.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 75.040000000000006 110.323 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -75.02 -46.78 32.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 71.310000000000002 109.315 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.456 ' CG2' HG13 ' A' ' 16' ' ' ILE . 2.0 pp -64.3 -30.96 51.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 74.299999999999997 109.264 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.12 -24.89 1.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 72.349999999999994 109.273 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.05 -41.98 24.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 74.219999999999999 109.243 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.431 ' C ' ' CD2' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -62.55 -47.73 82.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 75.5 109.333 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.402 ' N ' HD11 ' B' ' 19' ' ' LEU . 1.1 ttpm? -52.21 -46.23 65.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 75.439999999999998 109.282 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 72.230000000000004 110.342 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.323 -0.251 . . . . 73.030000000000001 110.323 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 86.6 mt -128.82 -62.35 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 75.040000000000006 109.249 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.4 -22.77 57.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 74.129999999999995 109.323 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.1 -22.87 57.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 72.230000000000004 109.248 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.52 -32.82 63.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 73.519999999999996 109.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -67.55 -31.32 71.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 74.319999999999993 110.3 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -74.75 -47.81 29.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 75.310000000000002 109.33 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -59.23 -53.69 55.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 75.510000000000005 110.337 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -58.26 -31.03 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 63.32 109.334 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.55 -28.04 52.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 74.430000000000007 109.328 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.81 -34.77 78.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 74.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.19 -45.57 66.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 63.409999999999997 109.286 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -31.65 52.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 73.150000000000006 110.288 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.5 -36.47 57.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 74.340000000000003 109.363 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -65.12 -52.89 52.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 74.120000000000005 110.317 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.2 pp -61.19 -26.28 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 74.219999999999999 109.324 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.13 -30.49 26.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 61.520000000000003 109.31 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -39.0 76.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 62.329999999999998 109.332 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.414 ' CD2' ' HB2' ' B' ' 19' ' ' LEU . 7.2 tp -64.15 -54.14 38.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 70.510000000000005 109.258 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -56.55 20.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 64.319999999999993 110.303 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 73.450000000000003 109.287 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.311 -0.626 . . . . 74.540000000000006 109.311 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 37.7 pt -107.1 -33.56 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 70.299999999999997 109.33 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.5 -27.46 68.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.41 1.069 . . . . 72.310000000000002 109.353 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.01 -54.56 45.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 74.150000000000006 109.335 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.84 -39.57 62.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 71.099999999999994 109.28 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.35 -40.91 92.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 75.310000000000002 109.311 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -72.54 -33.21 66.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 71.239999999999995 110.352 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -53.7 51.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 74.049999999999997 109.265 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 34.6 pt -60.68 -32.1 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 75.349999999999994 109.296 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.55 -25.09 62.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 70.150000000000006 109.369 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.38 -57.54 3.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 73.319999999999993 109.363 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.487 ' CD1' ' C ' ' B' ' 12' ' ' LEU . 0.4 OUTLIER -55.72 -34.41 65.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 72.439999999999998 109.279 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -66.89 -31.45 72.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 70.510000000000005 109.325 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -78.5 -40.19 35.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 70.319999999999993 110.307 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -64.75 -52.55 56.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 75.120000000000005 109.31 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 2.1 pp -59.63 -36.69 66.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 71.430000000000007 109.31 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.65 -51.63 62.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 63.109999999999999 109.332 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.64 -63.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 74.200000000000003 109.329 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.414 ' HB2' ' CD2' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -52.1 -34.43 44.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 75.230000000000004 109.33 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -50.71 69.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 74.049999999999997 109.35 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 74.510000000000005 110.302 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.332 -0.248 . . . . 73.519999999999996 110.332 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -92.27 -28.4 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 75.120000000000005 109.319 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.76 -31.23 71.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 72.109999999999999 109.282 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.43 -21.89 62.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 71.420000000000002 109.36 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.478 ' CD1' ' C ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -54.42 -45.09 72.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 71.540000000000006 109.305 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.77 -36.25 82.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 62.420000000000002 110.308 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -26.66 61.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 74.420000000000002 109.324 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.52 -51.08 21.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 74.420000000000002 110.268 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 pt -70.92 -31.54 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 74.420000000000002 109.378 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.6 -28.02 68.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 62.420000000000002 109.326 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.46 87.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 73.129999999999995 109.324 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -87.99 -21.06 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 72.430000000000007 109.323 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -37.03 65.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 73.209999999999994 110.288 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -26.53 60.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 75.200000000000003 109.283 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.65 -53.15 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 74.400000000000006 110.369 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 pp -64.4 -26.0 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 74.120000000000005 109.331 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.77 -23.62 4.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.439 1.087 . . . . 63.32 109.26 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.02 -47.76 56.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.433 1.083 . . . . 72.219999999999999 109.309 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.41 -59.54 4.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 75.310000000000002 109.266 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -52.41 -57.81 8.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.494 1.121 . . . . 73.239999999999995 110.234 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 72.430000000000007 109.33 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.331 -0.618 . . . . 74.140000000000001 109.331 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 1.2 pt -72.11 -32.09 42.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 74.420000000000002 109.34 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.21 -26.7 64.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 64.299999999999997 109.31 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.47 -39.78 27.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 73.329999999999998 109.241 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.45 ' CD1' ' C ' ' B' ' 5' ' ' LEU . 0.4 OUTLIER -66.4 -34.51 78.11 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.538 1.149 . . . . 73.019999999999996 109.333 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -53.67 -49.71 67.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.622 1.201 . . . . 74.239999999999995 109.329 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -77.17 -34.04 56.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 71.409999999999997 110.363 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -51.0 -41.76 59.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 75.219999999999999 109.322 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 4.9 mm -67.19 -43.37 88.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 73.540000000000006 109.313 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.4 ' HA ' ' CB ' ' B' ' 13' ' ' LYS . . . -59.23 -29.19 67.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 74.519999999999996 109.249 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.11 -54.97 27.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.442 1.089 . . . . 72.129999999999995 109.353 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mp -75.6 -31.9 60.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 73.299999999999997 109.278 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.4 ' CB ' ' HA ' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -50.78 -33.88 25.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 73.340000000000003 109.343 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.96 -39.91 33.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 72.129999999999995 110.291 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -39.86 81.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 72.5 109.273 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 13.5 mt -63.87 -35.62 73.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 72.439999999999998 109.293 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.9 -28.44 56.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 61.5 109.266 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.16 -57.82 6.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 74.400000000000006 109.325 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -53.87 -50.18 66.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 71.420000000000002 109.258 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.17 -45.92 65.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 73.140000000000001 109.302 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 74.329999999999998 110.315 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.335 -0.246 . . . . 64.540000000000006 110.335 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.1 mt -113.36 -35.2 2.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 73.129999999999995 109.25 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.36 -23.96 67.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 63.25 109.377 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.27 -21.15 59.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 63.520000000000003 109.3 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.23 -40.68 86.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.179 . . . . 74.340000000000003 109.323 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.21 -42.57 86.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 73.140000000000001 110.318 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -75.14 -30.04 60.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 74.329999999999998 109.33 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.07 -53.35 51.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 70.530000000000001 110.283 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 46.9 pt -58.79 -33.89 50.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.606 1.191 . . . . 75.219999999999999 109.333 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.29 -25.9 67.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 74.120000000000005 109.318 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.37 -41.84 76.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 72.420000000000002 109.363 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.423 ' N ' ' CD2' ' A' ' 12' ' ' LEU . 2.0 mm? -88.72 -31.46 18.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.164 . . . . 75.329999999999998 109.273 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.44 -39.83 70.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 73.329999999999998 110.3 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -69.79 -27.27 64.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 72.530000000000001 109.314 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.22 -49.77 26.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 75.340000000000003 110.344 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 pt -71.4 -27.94 30.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 74.530000000000001 109.298 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.92 -23.22 67.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 72.319999999999993 109.262 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.61 -50.53 10.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 64.519999999999996 109.328 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.27 -43.23 82.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 74.109999999999999 109.303 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.2 -50.42 72.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 75.200000000000003 110.295 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 74.409999999999997 109.278 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.294 -0.632 . . . . 72.230000000000004 109.294 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -47.22 -39.03 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 74.319999999999993 109.263 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.39 -41.13 94.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 73.030000000000001 109.301 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.79 -35.45 80.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 74.329999999999998 109.265 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.25 -51.91 67.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.591 1.182 . . . . 75.239999999999995 109.279 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -51.55 -35.17 39.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 73.450000000000003 109.36 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -75.69 -32.64 60.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.554 1.159 . . . . 64.409999999999997 110.257 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -54.67 21.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 75.400000000000006 109.352 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 45.9 pt -63.52 -33.56 62.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 74.530000000000001 109.338 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.91 -26.94 65.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 71.319999999999993 109.334 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.63 -48.88 20.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.593 1.183 . . . . 73.239999999999995 109.346 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mt -67.26 -30.16 69.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 73.099999999999994 109.276 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -57.09 -29.34 63.41 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.446 1.091 . . . . 70.129999999999995 109.345 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -76.15 -30.67 58.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 74.340000000000003 110.322 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -75.09 -54.61 6.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 74.209999999999994 109.299 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.43 -32.1 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 72.420000000000002 109.286 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.8 -25.18 68.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 72.400000000000006 109.292 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.24 -51.82 11.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 73.319999999999993 109.285 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.03 -37.94 64.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 73.430000000000007 109.289 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -59.78 -50.16 74.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 74.439999999999998 109.309 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 73.0 110.366 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 110.327 -0.249 . . . . 74.319999999999993 110.327 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 30.0 pt -89.69 -21.18 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 74.329999999999998 109.245 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.33 -30.78 67.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.409 1.068 . . . . 64.549999999999997 109.246 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.09 68.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 64.239999999999995 109.271 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.16 -32.05 63.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 72.430000000000007 109.332 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -72.88 -37.85 67.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 74.019999999999996 110.377 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -28.71 61.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 74.209999999999994 109.367 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.18 -50.29 41.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 75.200000000000003 110.274 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.33 -35.05 60.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 73.540000000000006 109.395 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.33 -29.93 66.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 75.129999999999995 109.311 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.25 -61.92 2.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 70.150000000000006 109.318 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.05 -25.59 63.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 74.209999999999994 109.286 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.86 -36.5 83.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 64.420000000000002 110.288 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -70.87 -26.32 63.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 73.430000000000007 109.266 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.34 -50.81 13.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 75.019999999999996 110.314 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.1 pp -68.14 -30.28 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 74.010000000000005 109.306 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.81 -24.46 64.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 75.420000000000002 109.268 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.75 -49.21 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 71.219999999999999 109.322 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.51 -41.98 66.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 72.5 109.296 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -67.39 -49.07 65.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.414 1.071 . . . . 75.420000000000002 110.298 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 74.409999999999997 109.287 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.263 -0.643 . . . . 75.310000000000002 109.263 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 5.8 pt -74.55 -37.58 44.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 75.219999999999999 109.281 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.02 85.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 75.200000000000003 109.294 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.18 -39.46 68.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 71.040000000000006 109.345 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.49 ' C ' ' CD2' ' B' ' 5' ' ' LEU . 0.2 OUTLIER -57.6 -34.3 69.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 74.409999999999997 109.285 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -64.18 -47.43 79.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.484 1.115 . . . . 74.409999999999997 109.292 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.98 -33.22 75.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 75.239999999999995 110.275 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -61.38 -54.85 38.31 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.608 1.193 . . . . 75.099999999999994 109.268 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 20.2 pt -61.03 -32.9 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 73.430000000000007 109.323 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.72 -23.54 62.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 75.109999999999999 109.279 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.55 -48.67 38.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 61.25 109.253 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.46 -30.04 61.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 72.209999999999994 109.246 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -59.5 -28.97 67.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 73.310000000000002 109.25 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.52 -37.95 55.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 70.129999999999995 110.227 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -54.59 22.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 73.400000000000006 109.354 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 2.2 pp -55.18 -32.48 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 73.310000000000002 109.255 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.12 -33.48 72.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 74.400000000000006 109.294 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.1 -57.76 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 73.400000000000006 109.258 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.5 tp -51.32 -40.33 58.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 75.310000000000002 109.34 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -52.15 66.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 65.420000000000002 109.323 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 74.209999999999994 110.296 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.304 -0.258 . . . . 64.420000000000002 110.304 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mt -72.33 -53.11 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 75.420000000000002 109.345 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.12 -21.12 59.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 65.340000000000003 109.341 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.01 -59.05 4.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 75.219999999999999 109.274 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 pp -61.0 -38.86 87.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 73.239999999999995 109.293 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -53.14 -35.25 59.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 73.439999999999998 110.351 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -38.45 61.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 109.354 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -61.05 -54.49 44.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 75.129999999999995 110.322 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 pp -61.71 -25.6 37.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 75.340000000000003 109.308 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.99 -25.95 64.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 73.349999999999994 109.353 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 14' ' ' LYS . . . -66.44 -35.16 79.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 71.409999999999997 109.324 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.428 HD13 ' CB ' ' B' ' 12' ' ' LEU . 5.2 tt -49.56 -37.44 27.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 74.409999999999997 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.2 -32.66 74.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 65.109999999999999 110.309 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -76.53 -42.96 41.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 75.450000000000003 109.331 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.41 -54.59 41.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 74.430000000000007 110.282 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.431 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -63.14 -26.14 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 75.420000000000002 109.346 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 16' ' ' ILE . . . -70.85 -32.72 69.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 75.230000000000004 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.46 -62.19 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 74.209999999999994 109.288 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 pp -55.54 -37.44 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 73.329999999999998 109.31 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.431 ' CB ' ' O ' ' A' ' 16' ' ' ILE . 25.1 tt0 -58.83 -52.83 64.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 71.439999999999998 110.249 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 tttm . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 75.439999999999998 109.261 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 7.2 mttt . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.273 -0.64 . . . . 72.239999999999995 109.273 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 pp -60.95 -23.34 29.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 72.430000000000007 109.331 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.26 -25.5 66.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 74.230000000000004 109.372 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.93 -21.36 20.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 73.329999999999998 109.322 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.472 ' C ' ' CD2' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -52.53 -33.06 43.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 71.540000000000006 109.254 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.447 ' N ' ' CD1' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -67.39 -35.89 80.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 74.319999999999993 109.326 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -73.66 -45.32 53.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 75.329999999999998 110.296 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -60.59 -53.87 52.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.064 . . . . 72.310000000000002 109.346 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -33.25 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 74.010000000000005 109.34 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' B' ' 6' ' ' LYS . . . -64.36 -25.56 68.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.355 1.034 . . . . 74.230000000000004 109.274 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.8 -24.31 58.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 63.530000000000001 109.364 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.428 ' CB ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -74.41 -32.01 62.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 71.329999999999998 109.305 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -69.91 -42.59 73.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 74.409999999999997 109.312 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -74.26 -30.3 62.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 62.520000000000003 110.285 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -67.13 -51.57 52.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 71.450000000000003 109.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 11.3 pt -63.07 -34.66 67.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 73.329999999999998 109.306 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.96 -32.54 15.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 75.120000000000005 109.27 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.53 -50.41 72.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 64.430000000000007 109.375 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -61.93 -47.75 83.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 73.540000000000006 109.256 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -47.69 60.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 74.340000000000003 109.242 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 73.530000000000001 110.245 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.377 -0.231 . . . . 74.329999999999998 110.377 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.6 pt -72.57 -29.15 29.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 74.109999999999999 109.32 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.94 -25.3 63.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 74.230000000000004 109.312 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.95 -47.6 68.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 62.229999999999997 109.277 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.444 ' CD1' ' N ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -59.8 -42.89 94.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 74.439999999999998 109.284 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.444 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 3.3 tt0 -58.22 -44.81 88.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 75.209999999999994 110.349 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -33.37 73.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 73.25 109.298 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.63 -54.84 29.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 75.299999999999997 110.305 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.403 HG13 ' N ' ' A' ' 10' ' ' ALA . 48.4 pt -62.7 -42.58 96.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 75.340000000000003 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.403 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -56.62 -25.67 53.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 75.439999999999998 109.346 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 14' ' ' LYS . . . -71.53 -59.47 2.74 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.451 1.094 . . . . 54.539999999999999 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.471 ' CD1' ' C ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -45.82 -29.8 1.46 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.549 1.156 . . . . 71.510000000000005 109.273 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.38 -42.97 74.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 63.43 110.276 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -74.08 -27.46 60.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 75.25 109.311 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -68.55 -54.35 17.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 72.519999999999996 110.311 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.8 pt -60.21 -26.05 35.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 74.319999999999993 109.279 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.64 -27.4 67.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 73.340000000000003 109.303 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.64 -45.25 9.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 71.299999999999997 109.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.75 -46.22 77.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 73.209999999999994 109.34 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -70.35 -41.19 73.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 71.420000000000002 110.35 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 74.510000000000005 109.359 179.898 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.249 -0.648 . . . . 74.530000000000001 109.249 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 mt -60.37 -44.6 96.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 74.120000000000005 109.313 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.23 -30.96 71.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 64.049999999999997 109.324 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.74 -48.89 77.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 74.129999999999995 109.313 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.98 -32.63 73.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 70.099999999999994 109.297 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -46.96 87.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 71.430000000000007 109.317 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.15 -46.51 64.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 74.329999999999998 110.268 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -50.94 -53.69 30.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 71.329999999999998 109.274 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -32.92 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 72.510000000000005 109.282 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.18 -23.47 21.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 74.310000000000002 109.312 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.91 89.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 75.239999999999995 109.328 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.81 -34.81 51.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 75.510000000000005 109.314 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.6 -34.45 26.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 74.409999999999997 109.298 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.44 -27.63 34.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.143 . . . . 70.510000000000005 110.289 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -67.87 -45.03 75.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 75.540000000000006 109.301 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.4 HG13 ' N ' ' B' ' 17' ' ' ALA . 6.8 pt -71.23 -31.32 43.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 64.200000000000003 109.27 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.4 ' N ' HG13 ' B' ' 16' ' ' ILE . . . -50.16 -28.89 8.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 72.010000000000005 109.326 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.44 -48.42 64.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 63.210000000000001 109.305 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.15 -35.59 75.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 74.230000000000004 109.42 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -51.18 58.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 74.340000000000003 109.364 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 73.319999999999993 110.24 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.268 -0.271 . . . . 64.310000000000002 110.268 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 pp -66.66 -21.23 28.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.506 1.129 . . . . 72.420000000000002 109.295 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.25 -21.65 59.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 73.019999999999996 109.353 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.65 -30.09 22.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 64.239999999999995 109.317 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.7 mt -70.87 -41.19 71.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 63.420000000000002 109.264 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -74.75 -30.86 61.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 54.420000000000002 110.338 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 0.8 OUTLIER -69.46 -32.68 71.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 74.200000000000003 109.287 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -68.06 -25.66 65.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 74.030000000000001 110.266 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.408 ' CD1' HG21 ' B' ' 9' ' ' ILE . 3.6 mm -54.14 -46.3 66.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.538 1.148 . . . . 75.219999999999999 109.335 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.43 -26.64 68.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.418 1.074 . . . . 72.129999999999995 109.319 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.13 -55.35 22.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 63.439999999999998 109.311 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.405 HD23 ' CA ' ' B' ' 13' ' ' LYS . 0.8 OUTLIER -68.78 -23.13 64.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 75.329999999999998 109.372 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.429 ' O ' ' CG2' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -72.08 -37.8 69.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 73.120000000000005 110.264 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -74.76 -34.04 62.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 75.510000000000005 109.307 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.14 -41.04 99.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 72.299999999999997 110.26 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.429 ' CG2' ' O ' ' A' ' 13' ' ' GLU . 7.2 tt -60.24 -25.4 33.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 74.329999999999998 109.267 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.412 ' N ' HG22 ' A' ' 16' ' ' ILE . . . -65.72 -24.27 66.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 75.030000000000001 109.256 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.16 -28.04 62.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 72.109999999999999 109.304 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.4 ' HG ' ' N ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -53.56 -39.13 64.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 61.350000000000001 109.324 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' N ' ' HG ' ' A' ' 19' ' ' LEU . 4.0 tt0 -78.8 -57.42 3.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 71.230000000000004 110.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 64.420000000000002 109.294 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.296 -0.631 . . . . 73.549999999999997 109.296 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp -68.19 -35.22 70.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 73.549999999999997 109.257 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.34 -29.68 68.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 74.209999999999994 109.237 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.38 -59.26 4.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 61.219999999999999 109.295 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.18 -44.76 78.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 72.329999999999998 109.289 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.97 -28.06 9.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 74.040000000000006 109.281 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -78.3 -48.0 16.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 74.409999999999997 110.309 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.44 -51.71 64.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.405 1.065 . . . . 74.310000000000002 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.408 HG21 ' CD1' ' A' ' 9' ' ' ILE . 40.4 pt -61.57 -30.97 49.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 74.340000000000003 109.311 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.7 -25.66 65.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 75.319999999999993 109.267 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.58 -47.89 13.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 72.219999999999999 109.302 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.81 -29.74 70.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.185 . . . . 74.549999999999997 109.29 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.405 ' CA ' HD23 ' A' ' 12' ' ' LEU . 17.3 tttp -67.74 -35.4 78.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 74.140000000000001 109.261 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -81.23 -30.86 34.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 75.340000000000003 110.309 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.19 -54.23 27.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 75.140000000000001 109.344 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 pp -63.32 -35.56 72.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 54.299999999999997 109.296 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.2 -29.99 71.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 54.109999999999999 109.287 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.99 -59.18 2.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 74.109999999999999 109.261 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -32.68 65.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 75.030000000000001 109.337 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.45 -50.56 62.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.401 1.063 . . . . 73.219999999999999 109.233 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 75.239999999999995 110.254 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.341 -0.244 . . . . 71.299999999999997 110.341 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.8 pt -85.83 -25.9 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 74.109999999999999 109.297 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.92 -49.52 77.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 75.129999999999995 109.281 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.67 78.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 61.409999999999997 109.345 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tp -55.92 -53.48 56.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 74.25 109.304 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -56.9 -33.89 67.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 74.209999999999994 110.292 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.87 -29.6 62.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 74.400000000000006 109.277 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.96 -51.81 23.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 71.140000000000001 110.322 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pt -66.29 -25.87 36.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.578 1.174 . . . . 74.109999999999999 109.308 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.12 -32.93 72.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 73.530000000000001 109.288 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.11 -44.37 30.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 75.530000000000001 109.368 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -45.31 -55.23 6.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 64.430000000000007 109.278 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -55.04 -33.62 62.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 71.109999999999999 110.256 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -75.15 -27.2 59.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 72.120000000000005 109.26 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.55 -51.03 15.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 75.549999999999997 110.328 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.8 pt -68.95 -34.05 62.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 64.109999999999999 109.329 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.21 -35.05 34.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 74.319999999999993 109.266 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.03 -38.88 61.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 64.010000000000005 109.32 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.75 -50.31 74.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 73.400000000000006 109.323 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.52 -56.26 21.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 74.239999999999995 110.308 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 72.120000000000005 109.268 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.282 -0.636 . . . . 72.319999999999993 109.282 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 35.1 pt -106.14 -38.07 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 73.129999999999995 109.269 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.42 -34.56 69.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 74.510000000000005 109.293 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.47 -46.25 60.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 60.240000000000002 109.357 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.76 -32.59 65.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 75.230000000000004 109.349 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -65.94 -34.03 77.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 70.120000000000005 109.265 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -77.94 -33.81 51.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 72.25 110.327 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -48.02 83.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 64.319999999999993 109.328 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 45.5 pt -64.08 -35.98 75.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.605 1.191 . . . . 75.109999999999999 109.309 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.37 -41.59 69.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 73.129999999999995 109.303 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.67 -43.96 83.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.591 1.182 . . . . 74.519999999999996 109.313 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.59 -32.2 65.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 75.230000000000004 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -37.16 76.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 72.129999999999995 109.306 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -73.85 -33.68 64.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 71.140000000000001 110.321 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.99 -53.49 49.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 75.329999999999998 109.302 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 25.7 pt -55.78 -33.28 33.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 70.400000000000006 109.297 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.48 -31.8 6.91 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.53 1.144 . . . . 64.319999999999993 109.357 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.07 -56.72 6.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 72.329999999999998 109.351 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.72 -33.69 35.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 65.319999999999993 109.32 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -52.78 42.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 72.120000000000005 109.354 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.17 . . . . 74.340000000000003 110.372 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.302 -0.258 . . . . 63.340000000000003 110.302 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 25.0 mt -102.69 -43.87 9.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 75.140000000000001 109.334 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.78 -27.51 63.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 72.340000000000003 109.341 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.9 -33.6 74.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 75.129999999999995 109.259 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.5 mt -66.34 -35.57 80.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 74.219999999999999 109.324 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.9 -31.21 56.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.075 . . . . 64.439999999999998 110.296 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -74.08 -31.89 63.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 71.420000000000002 109.295 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.34 -54.77 27.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 73.040000000000006 110.364 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.411 ' CG2' HD11 ' B' ' 9' ' ' ILE . 2.0 pp -64.98 -36.76 78.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 73.329999999999998 109.345 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.89 -26.29 65.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 72.140000000000001 109.337 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.6 -49.88 13.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 71.430000000000007 109.34 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.453 ' HG ' ' CD1' ' B' ' 12' ' ' LEU . 1.2 mm? -58.26 -54.16 50.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 64.099999999999994 109.284 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -50.0 -38.94 39.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 72.219999999999999 110.315 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -37.51 79.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 74.329999999999998 109.342 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -65.1 -43.1 93.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 71.010000000000005 110.304 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.406 ' CG2' ' HB3' ' B' ' 19' ' ' LEU . 9.4 mm -73.73 -33.02 36.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 72.409999999999997 109.301 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.66 -24.72 35.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 73.129999999999995 109.28 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.84 -31.88 68.72 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.152 . . . . 64.109999999999999 109.248 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.406 ' CB ' ' HB2' ' B' ' 19' ' ' LEU . 3.9 mm? -72.6 -51.92 17.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 74.049999999999997 109.332 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.29 -53.81 53.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 74.439999999999998 110.257 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 74.340000000000003 109.346 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.281 -0.637 . . . . 71.120000000000005 109.281 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 15.4 mm -122.33 -55.89 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 73.040000000000006 109.255 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.92 -24.53 62.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 73.5 109.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.78 -60.65 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 64.420000000000002 109.247 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.422 ' N ' ' CD1' ' B' ' 5' ' ' LEU . 0.1 OUTLIER -53.93 -35.24 61.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 74.420000000000002 109.285 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -61.57 -37.14 82.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 74.230000000000004 109.265 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -75.03 -35.68 61.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 110.31 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -56.55 -29.46 62.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 75.430000000000007 109.332 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.411 HD11 ' CG2' ' A' ' 9' ' ' ILE . 47.9 mm -52.75 -42.59 42.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 75.319999999999993 109.353 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.41 -24.16 67.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 72.200000000000003 109.327 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.17 -38.34 87.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.107 . . . . 75.430000000000007 109.253 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.453 ' CD1' ' HG ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -63.4 -40.2 96.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 73.430000000000007 109.283 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -34.46 78.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 75.340000000000003 109.241 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -77.67 -28.57 51.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 75.129999999999995 110.275 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -37.65 82.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 71.209999999999994 109.336 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 67.2 mt -60.01 -32.3 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 71.239999999999995 109.319 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.21 -45.73 79.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 63.32 109.251 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.72 -54.7 25.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 74.140000000000001 109.25 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.451 ' CD1' ' C ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -52.4 -50.46 62.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 74.329999999999998 109.301 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.41 ' N ' ' HG ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -49.19 -51.32 33.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 74.510000000000005 109.263 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 75.510000000000005 110.312 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.344 -0.243 . . . . 63.329999999999998 110.344 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.2 mp -114.63 -39.46 2.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.505 1.128 . . . . 71.129999999999995 109.302 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.65 -21.13 66.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.145 . . . . 72.540000000000006 109.316 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.9 -54.08 51.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 74.319999999999993 109.293 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.48 -39.99 74.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 72.219999999999999 109.305 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -66.84 -34.34 77.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 72.299999999999997 110.307 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.4 tttt -74.57 -31.02 61.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.394 1.059 . . . . 63.530000000000001 109.266 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -69.83 -54.77 12.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 65.409999999999997 110.339 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.97 -37.57 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 74.209999999999994 109.29 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.34 -31.33 71.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 72.129999999999995 109.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.32 -49.26 64.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 74.209999999999994 109.315 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.448 ' HG ' ' CD1' ' B' ' 12' ' ' LEU . 4.1 mm? -61.34 -40.36 93.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 74.230000000000004 109.265 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -49.22 -30.53 7.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 62.100000000000001 110.31 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.73 -42.09 61.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 64.219999999999999 109.282 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -54.72 25.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 72.530000000000001 110.333 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 pt -62.07 -32.82 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 74.230000000000004 109.284 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.4 -32.23 25.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 63.32 109.276 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.17 -44.18 66.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 74.239999999999995 109.311 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 tp -53.42 -47.76 69.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 74.150000000000006 109.261 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.52 -56.0 24.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 73.439999999999998 110.279 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.327 -0.41 0 O-C-N 124.493 1.121 . . . . 64.230000000000004 109.293 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 2.3 tttm . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.298 -0.63 . . . . 75.129999999999995 109.298 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 mt -74.99 -49.37 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 74.230000000000004 109.293 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.05 -26.97 65.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 70.439999999999998 109.348 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.29 -63.22 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 71.439999999999998 109.316 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -58.73 -43.41 90.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 73.200000000000003 109.29 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.5 -31.93 37.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 74.129999999999995 109.337 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -77.22 -32.15 55.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 72.340000000000003 110.283 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -32.96 70.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.088 . . . . 71.430000000000007 109.336 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 55.3 mt -61.86 -31.14 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 65.450000000000003 109.3 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.83 -23.13 62.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 74.409999999999997 109.297 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.22 -48.13 10.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 74.310000000000002 109.218 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.492 ' CD1' ' C ' ' B' ' 12' ' ' LEU . 0.5 OUTLIER -60.77 -29.76 69.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 74.340000000000003 109.273 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -72.67 -45.13 60.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 72.319999999999993 109.314 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -27.52 64.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 64.129999999999995 110.273 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -54.53 6.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 75.140000000000001 109.35 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.469 ' CG2' ' O ' ' B' ' 12' ' ' LEU . 16.8 pt -56.75 -32.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 73.420000000000002 109.263 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.21 -35.62 80.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 74.349999999999994 109.247 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.39 -59.6 4.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 61.109999999999999 109.337 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -51.76 -46.64 64.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 75.319999999999993 109.301 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -51.63 40.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 75.340000000000003 109.298 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 74.030000000000001 110.323 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.334 -0.247 . . . . 61.140000000000001 110.334 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.7 mt -64.45 -58.34 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 71.519999999999996 109.305 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.53 -21.4 62.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 71.349999999999994 109.184 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.92 -37.35 62.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 74.209999999999994 109.288 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -52.65 -42.08 64.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 73.120000000000005 109.361 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.409 ' N ' ' HG ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -58.63 -34.15 70.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 75.299999999999997 110.257 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -73.96 -28.18 61.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 75.5 109.242 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.75 -54.66 7.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 74.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pt -63.95 -25.21 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 64.010000000000005 109.314 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.41 -28.74 70.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 51.450000000000003 109.279 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.89 99.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 72.409999999999997 109.362 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 tp -51.81 -48.2 63.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 73.109999999999999 109.288 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -54.17 -37.14 64.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.379 1.05 . . . . 74.420000000000002 110.301 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.81 -28.25 60.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.158 . . . . 74.349999999999994 109.243 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -70.95 -52.99 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 72.319999999999993 110.303 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.5 pp -61.73 -28.35 43.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 74.430000000000007 109.366 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.57 -28.02 68.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 72.010000000000005 109.307 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.7 -46.89 12.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 63.32 109.271 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -53.48 53.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 72.540000000000006 109.353 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.85 -49.09 79.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 75.310000000000002 110.234 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 73.329999999999998 109.272 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.2 mttt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.369 -0.604 . . . . 75.409999999999997 109.369 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 1.2 mp -87.65 -63.9 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 73.319999999999993 109.307 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.48 -27.08 46.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 55.039999999999999 109.29 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.98 -31.59 29.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.168 . . . . 72.430000000000007 109.269 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 pp -55.97 -41.4 74.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 71.040000000000006 109.254 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.16 -48.6 70.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 74.420000000000002 109.31 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.53 -46.65 89.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 72.549999999999997 110.369 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -43.97 74.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 74.340000000000003 109.245 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 69.1 mt -71.83 -32.66 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 71.120000000000005 109.295 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.07 -35.74 81.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 55.240000000000002 109.302 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.29 -44.37 68.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 71.040000000000006 109.228 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.442 ' CD1' ' C ' ' B' ' 12' ' ' LEU . 0.2 OUTLIER -65.79 -33.99 77.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 72.450000000000003 109.253 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -60.34 -30.78 69.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 75.230000000000004 109.273 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -81.44 -45.4 16.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 74.019999999999996 110.297 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -51.65 66.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.525 1.14 . . . . 73.409999999999997 109.341 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 1.4 pp -62.31 -31.46 51.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 74.219999999999999 109.293 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.34 -41.41 60.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 74.019999999999996 109.323 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.62 -60.3 4.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 72.420000000000002 109.29 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.01 -31.27 40.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 72.219999999999999 109.333 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -47.43 81.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 74.430000000000007 109.253 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 74.400000000000006 110.287 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.324 -0.25 . . . . 61.329999999999998 110.324 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.5 pt -57.62 -26.86 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 73.5 109.292 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.11 -39.63 68.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 75.230000000000004 109.239 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.16 -58.14 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 73.219999999999999 109.268 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.431 ' CD1' ' HA ' ' B' ' 2' ' ' ILE . 0.5 OUTLIER -58.78 -41.96 87.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 74.340000000000003 109.309 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.48 -38.14 71.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 71.239999999999995 110.266 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.87 -25.76 62.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 74.319999999999993 109.248 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.464 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 2.7 tt0 -67.25 -42.46 83.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 75.030000000000001 110.343 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.449 HG22 ' CG2' ' B' ' 9' ' ' ILE . 0.7 OUTLIER -65.98 -30.62 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.118 . . . . 71.420000000000002 109.244 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -63.61 -26.16 68.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 75.519999999999996 109.253 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.77 -37.86 62.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 64.549999999999997 109.329 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.464 ' CD2' ' O ' ' A' ' 8' ' ' GLU . 2.1 mm? -82.82 -20.84 34.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 74.510000000000005 109.275 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -36.91 70.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 54.340000000000003 110.349 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.37 -29.02 56.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 75.540000000000006 109.218 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.18 -54.67 16.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 73.019999999999996 110.342 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 pp -60.93 -26.58 39.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 71.430000000000007 109.283 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.94 -37.83 54.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 72.099999999999994 109.283 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.51 -51.75 26.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 73.040000000000006 109.313 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -27.2 37.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 72.129999999999995 109.333 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.19 -58.6 3.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 73.25 110.322 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mttm . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 73.439999999999998 109.277 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.275 -0.639 . . . . 73.409999999999997 109.275 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . 0.431 ' HA ' ' CD1' ' A' ' 5' ' ' LEU . 34.2 pt -52.35 -39.45 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 72.219999999999999 109.312 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.419 ' N ' HG13 ' B' ' 2' ' ' ILE . . . -71.85 -28.52 63.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 75.230000000000004 109.264 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.35 -56.16 16.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 71.340000000000003 109.301 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -54.13 -35.39 62.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 71.129999999999995 109.256 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -31.94 50.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 75.030000000000001 109.321 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -78.32 -31.64 48.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 73.319999999999993 110.281 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.42 ' O ' ' CD2' ' B' ' 12' ' ' LEU . 2.5 mmmt -69.67 -54.9 11.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.535 1.147 . . . . 73.540000000000006 109.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.449 ' CG2' HG22 ' A' ' 9' ' ' ILE . 2.5 pp -56.14 -39.26 57.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 72.209999999999994 109.303 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.25 -29.53 66.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.592 1.182 . . . . 75.120000000000005 109.289 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.22 -65.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.413 1.071 . . . . 63.43 109.28 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.42 ' CD2' ' O ' ' B' ' 8' ' ' LYS . 0.9 OUTLIER -53.83 -37.38 63.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 64.510000000000005 109.259 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -51.97 -31.47 29.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 74.040000000000006 109.295 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.29 -31.85 38.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 72.219999999999999 110.275 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -68.21 -54.71 15.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 65.049999999999997 109.267 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -38.91 76.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 70.519999999999996 109.258 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.03 -31.41 29.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.5 1.125 . . . . 75.030000000000001 109.304 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.96 -59.67 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 73.019999999999996 109.329 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -53.61 -33.91 56.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 72.239999999999995 109.276 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -64.29 -44.24 92.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 75.150000000000006 109.29 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 73.209999999999994 110.327 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.406 ' N ' HG23 ' B' ' 2' ' ' ILE . 10.0 mm-40 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.363 -0.236 . . . . 71.430000000000007 110.363 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.9 pt -92.07 -25.73 5.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 70.519999999999996 109.325 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.38 -22.97 67.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.145 . . . . 71.340000000000003 109.366 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.02 -33.5 68.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.413 1.07 . . . . 61.119999999999997 109.248 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' B' ' 5' ' ' LEU . 5.1 tp -64.82 -31.72 73.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 74.299999999999997 109.289 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -46.85 67.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 74.319999999999993 110.282 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -27.73 61.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 75.439999999999998 109.336 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.449 ' CB ' HD13 ' B' ' 9' ' ' ILE . 9.0 mm-40 -70.62 -52.18 23.06 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.504 1.128 . . . . 74.129999999999995 110.293 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.9 pt -57.01 -32.5 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 75.209999999999994 109.31 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.56 -26.91 46.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 75.150000000000006 109.366 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 14' ' ' LYS . . . -72.29 -47.6 48.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 70.010000000000005 109.228 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.488 ' CD1' ' C ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -43.61 -38.87 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 74.530000000000001 109.316 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -68.02 -44.54 76.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 74.340000000000003 110.3 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' ALA . 1.4 tttt -65.99 -25.56 67.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 73.099999999999994 109.28 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -70.85 -51.55 25.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 74.120000000000005 110.272 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -68.31 -26.61 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 73.129999999999995 109.285 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.66 -27.75 12.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 74.109999999999999 109.293 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.26 -43.4 23.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 73.030000000000001 109.334 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.485 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -54.5 -45.98 73.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 71.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.416 ' N ' HD11 ' A' ' 19' ' ' LEU . 3.4 tt0 -71.55 -46.72 58.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 74.439999999999998 110.392 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 75.430000000000007 109.291 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.318 -0.623 . . . . 75.209999999999994 109.318 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 1' ' ' GLU . 1.3 mt -115.88 -50.99 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 75.450000000000003 109.275 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.99 -29.4 65.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 64.420000000000002 109.248 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.85 -28.66 66.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.183 . . . . 73.0 109.313 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.46 ' HB3' ' CD1' ' A' ' 5' ' ' LEU . 13.1 mt -74.85 -34.4 62.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 74.109999999999999 109.29 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -55.47 -50.38 70.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 73.530000000000001 109.287 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -58.08 -33.71 69.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 54.520000000000003 110.316 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -58.11 -51.36 70.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 74.120000000000005 109.319 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.449 HD13 ' CB ' ' A' ' 8' ' ' GLU . 4.6 mt -53.89 -41.48 49.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 75.140000000000001 109.323 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.51 -26.2 65.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.59 1.182 . . . . 71.129999999999995 109.326 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.34 -40.01 77.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 62.310000000000002 109.315 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.38 -39.85 45.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 74.310000000000002 109.281 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -57.21 -35.92 70.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 74.25 109.304 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -35.86 81.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 75.450000000000003 110.361 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -59.51 -50.61 73.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 75.549999999999997 109.313 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.418 HG21 ' N ' ' B' ' 17' ' ' ALA . 0.0 OUTLIER -67.43 -31.03 50.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 74.430000000000007 109.352 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.456 ' HA ' ' CG ' ' B' ' 20' ' ' LYS . . . -51.65 -25.98 8.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 71.209999999999994 109.265 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.02 -33.3 33.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 63.43 109.261 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.462 ' CD1' ' HG ' ' A' ' 19' ' ' LEU . 17.2 mt -70.26 -44.51 68.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 73.530000000000001 109.333 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.456 ' CG ' ' HA ' ' B' ' 17' ' ' ALA . 0.0 OUTLIER -71.33 -30.34 66.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 75.200000000000003 109.276 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 63.140000000000001 110.261 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.343 -0.243 . . . . 62.530000000000001 110.343 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.9 mm -80.06 -27.93 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 72.129999999999995 109.27 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.66 -24.78 56.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 71.439999999999998 109.272 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.77 -44.38 90.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 73.549999999999997 109.344 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 mt -64.65 -31.91 73.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 73.219999999999999 109.254 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -39.27 70.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 73.439999999999998 110.287 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.49 -26.48 60.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 64.420000000000002 109.325 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.58 -49.75 76.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 74.219999999999999 110.344 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.06 -27.84 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 73.329999999999998 109.293 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.48 -33.63 71.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 73.230000000000004 109.29 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.54 -60.56 2.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 72.129999999999995 109.334 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.409 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 2.0 mp -47.9 -46.67 31.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 71.239999999999995 109.323 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -57.45 -35.03 69.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 72.030000000000001 110.243 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -37.7 78.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 73.239999999999995 109.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -58.56 -53.9 53.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 74.310000000000002 110.324 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 8.3 tp -64.5 -27.38 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 73.319999999999993 109.292 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.65 -32.19 70.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 74.409999999999997 109.321 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.55 -33.22 64.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 74.209999999999994 109.286 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.7 tp -65.65 -60.72 2.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 75.400000000000006 109.297 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -52.33 -55.95 18.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 74.109999999999999 110.303 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 74.120000000000005 109.245 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.315 -0.624 . . . . 75.340000000000003 109.315 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 pt -99.92 -36.93 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 73.540000000000006 109.26 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.95 -32.6 67.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 73.340000000000003 109.294 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.53 -58.48 4.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 73.120000000000005 109.231 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.47 -32.99 73.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 72.400000000000006 109.291 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -63.93 -31.58 72.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 74.430000000000007 109.25 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -77.76 -31.21 51.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 62.420000000000002 110.261 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -71.98 -54.28 10.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 75.439999999999998 109.309 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.408 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 1.9 pp -56.88 -37.26 53.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 75.099999999999994 109.307 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.78 -23.09 62.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 65.019999999999996 109.341 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.12 -52.02 57.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 73.019999999999996 109.308 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.56 -30.97 67.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 72.530000000000001 109.321 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -30.58 59.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 75.140000000000001 109.362 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.53 -28.18 51.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 74.310000000000002 110.343 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -73.77 -50.5 20.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 75.219999999999999 109.309 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.406 HG13 ' N ' ' B' ' 17' ' ' ALA . 1.2 pp -70.57 -32.07 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.404 1.065 . . . . 74.549999999999997 109.345 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.406 ' N ' HG13 ' B' ' 16' ' ' ILE . . . -47.94 -36.4 12.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 72.340000000000003 109.287 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -47.99 60.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 70.409999999999997 109.362 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -52.62 -51.91 57.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 72.439999999999998 109.322 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -51.38 -50.08 60.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 74.140000000000001 109.275 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 74.019999999999996 110.289 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.338 -0.245 . . . . 72.400000000000006 110.338 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.0 mt -75.73 -54.4 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 70.310000000000002 109.281 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.94 -33.92 65.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 72.340000000000003 109.318 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.07 -29.61 69.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 53.240000000000002 109.287 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' B' ' 5' ' ' LEU . 0.2 OUTLIER -61.51 -36.19 79.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 72.219999999999999 109.216 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -68.61 -39.24 80.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 71.129999999999995 110.303 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -25.64 59.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 73.420000000000002 109.248 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.54 -54.51 6.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 71.109999999999999 110.295 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 pp -57.5 -34.97 48.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 74.129999999999995 109.296 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.8 -38.33 88.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.567 1.167 . . . . 74.349999999999994 109.302 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.71 -64.97 0.66 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.141 . . . . 74.510000000000005 109.339 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.409 ' HB3' ' CB ' ' B' ' 12' ' ' LEU . 2.6 mm? -54.04 -42.85 69.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 74.329999999999998 109.294 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -57.65 -35.72 70.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 73.310000000000002 110.297 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.49 -27.16 64.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 73.129999999999995 109.292 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -77.23 -49.0 16.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 71.510000000000005 110.329 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.5 pp -70.38 -27.6 32.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.422 1.077 . . . . 75.239999999999995 109.338 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.95 -31.96 71.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 73.420000000000002 109.294 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.23 -29.43 62.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 75.140000000000001 109.33 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.419 ' CD1' ' HB2' ' B' ' 19' ' ' LEU . 6.7 tp -67.24 -58.54 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 74.530000000000001 109.248 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -53.06 -56.42 16.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 75.099999999999994 110.319 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 75.129999999999995 109.293 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 tptt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.341 -0.615 . . . . 70.319999999999993 109.341 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 1.3 pt -52.87 -37.46 25.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 71.340000000000003 109.326 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.52 -30.04 71.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 53.450000000000003 109.23 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.25 -29.03 62.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 73.439999999999998 109.24 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -69.51 -32.44 71.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 74.340000000000003 109.312 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -63.71 -36.61 84.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 74.540000000000006 109.333 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.43 -32.03 48.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 72.040000000000006 110.245 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -66.64 -54.88 18.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 74.400000000000006 109.311 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 pp -55.1 -44.98 76.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 74.209999999999994 109.335 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.35 -27.36 67.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 74.209999999999994 109.33 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.86 -52.89 17.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 74.140000000000001 109.276 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.409 ' CB ' ' HB3' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -64.44 -29.77 70.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 73.099999999999994 109.279 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -71.67 -35.13 70.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 74.400000000000006 109.293 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -29.79 63.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 72.049999999999997 110.369 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.35 -54.67 6.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 75.400000000000006 109.239 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.1 -34.08 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 74.439999999999998 109.32 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.44 -33.59 59.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 75.239999999999995 109.279 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.74 -49.12 67.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 62.030000000000001 109.312 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.419 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 3.7 tp -58.65 -44.71 90.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 75.140000000000001 109.264 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -44.15 71.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 74.25 109.297 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 74.209999999999994 110.329 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.364 -0.236 . . . . 73.510000000000005 110.364 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp -63.08 -23.32 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 75.530000000000001 109.242 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.94 -28.77 63.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 73.209999999999994 109.258 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.14 -41.81 57.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 75.150000000000006 109.264 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.425 ' CD2' HG23 ' B' ' 2' ' ' ILE . 2.7 mm? -70.57 -41.39 72.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 74.340000000000003 109.296 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -61.44 -31.76 71.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 75.230000000000004 110.274 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -69.59 -32.87 71.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.085 . . . . 72.230000000000004 109.225 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.44 -30.06 70.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.485 1.116 . . . . 71.409999999999997 110.337 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.7 mt -56.47 -50.53 72.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 72.5 109.318 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.79 -26.44 67.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 61.299999999999997 109.329 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.25 -61.76 1.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 72.299999999999997 109.313 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -59.17 -30.77 68.42 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.509 1.131 . . . . 74.129999999999995 109.245 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.14 -35.35 76.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 71.519999999999996 110.301 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -70.16 -26.46 63.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 75.450000000000003 109.276 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.18 -52.48 58.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 74.200000000000003 110.311 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.5 pt -69.11 -27.68 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 75.5 109.268 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.36 -32.15 69.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 71.439999999999998 109.305 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.49 -46.29 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 71.120000000000005 109.304 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -56.39 -58.61 7.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 74.340000000000003 109.239 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -53.78 -41.02 66.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 64.329999999999998 110.294 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 tptt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 75.129999999999995 109.296 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' B' ' 4' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.2 -0.666 . . . . 74.400000000000006 109.2 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . 0.425 HG23 ' CD2' ' A' ' 5' ' ' LEU . 47.4 mt -50.75 -32.08 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 73.409999999999997 109.287 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.29 -33.54 73.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 70.329999999999998 109.307 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' B' ' 1' ' ' LYS . . . -62.89 -42.97 99.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 60.549999999999997 109.321 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -72.42 -43.81 63.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 74.319999999999993 109.335 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -53.03 -41.48 64.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 74.450000000000003 109.271 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -38.46 80.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 73.329999999999998 110.284 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.3 -52.74 60.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 73.010000000000005 109.318 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 45.6 pt -63.73 -31.49 53.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.172 . . . . 74.430000000000007 109.309 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.11 -26.01 65.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 71.420000000000002 109.316 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.81 -51.67 31.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 109.232 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -67.07 -34.32 77.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 73.420000000000002 109.324 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.55 -30.09 19.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 74.010000000000005 109.287 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -76.77 -30.29 56.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 74.140000000000001 110.334 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -74.89 -54.28 7.54 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.526 1.141 . . . . 70.25 109.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 pp -57.89 -32.2 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 75.329999999999998 109.308 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.22 -27.69 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.397 1.061 . . . . 75.329999999999998 109.281 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.68 -51.55 7.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 60.310000000000002 109.322 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.4 -29.72 36.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 73.310000000000002 109.289 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -68.99 -48.46 63.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 74.019999999999996 109.289 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 75.310000000000002 110.293 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.319 -0.252 . . . . 64.209999999999994 110.319 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.7 pt -80.82 -20.75 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 73.319999999999993 109.274 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.29 -22.06 64.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 75.430000000000007 109.308 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.09 -20.62 64.22 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 53.130000000000003 109.3 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.487 ' CD2' ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -53.65 -30.88 45.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 73.030000000000001 109.275 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.408 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 1.8 mt-10 -49.96 -32.16 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 74.230000000000004 110.319 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.94 -41.11 71.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 75.420000000000002 109.263 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -60.35 -29.82 69.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 64.329999999999998 110.351 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 mm -64.05 -48.22 86.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 75.040000000000006 109.33 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.13 -26.04 65.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 73.450000000000003 109.271 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.97 -56.25 19.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 52.530000000000001 109.306 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.29 -37.67 66.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.106 . . . . 75.519999999999996 109.309 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -52.62 -38.17 59.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 72.129999999999995 110.311 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -32.13 65.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 74.230000000000004 109.279 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.72 -51.24 63.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 65.219999999999999 110.338 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 17' ' ' ALA . 4.5 pt -65.02 -28.87 45.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 75.530000000000001 109.264 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.4 ' N ' HG13 ' A' ' 16' ' ' ILE . . . -52.71 -27.93 19.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 71.219999999999999 109.324 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.16 -47.89 32.87 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.09 . . . . 73.329999999999998 109.289 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 tp -54.2 -52.11 62.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 73.329999999999998 109.266 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -53.2 -58.12 8.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 74.239999999999995 110.298 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 75.439999999999998 109.262 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.314 -0.624 . . . . 74.519999999999996 109.314 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -45.89 -38.21 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 75.319999999999993 109.315 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.99 -41.76 67.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.171 . . . . 72.329999999999998 109.29 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.18 -61.8 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 61.229999999999997 109.312 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.438 ' HB2' ' CD2' ' A' ' 5' ' ' LEU . 1.8 pp -54.17 -34.1 59.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 74.430000000000007 109.317 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -63.66 -36.34 83.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 71.409999999999997 109.285 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -77.92 -32.27 51.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 75.420000000000002 110.315 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -48.69 78.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 73.5 109.256 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.408 HG13 ' N ' ' B' ' 10' ' ' ALA . 1.1 pt -71.74 -31.06 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 72.319999999999993 109.312 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.408 ' N ' HG13 ' B' ' 9' ' ' ILE . . . -51.68 -32.79 31.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 74.310000000000002 109.257 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.92 -61.8 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 73.030000000000001 109.315 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mt -55.96 -29.8 60.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 72.409999999999997 109.307 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -64.86 -38.39 90.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 74.109999999999999 109.322 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.84 -29.73 62.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 71.530000000000001 110.282 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -67.51 -53.14 31.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 74.129999999999995 109.308 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -68.1 -31.67 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 74.519999999999996 109.281 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.93 -27.02 4.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 72.209999999999994 109.214 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.52 -34.23 35.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 72.450000000000003 109.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' B' ' 16' ' ' ILE . 16.8 tp -65.01 -50.9 64.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 75.219999999999999 109.287 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.41 -52.99 41.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 75.400000000000006 109.31 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 74.439999999999998 110.324 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.341 -0.244 . . . . 75.120000000000005 110.341 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 pp -101.73 -32.77 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 75.219999999999999 109.337 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.0 -22.19 65.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 71.420000000000002 109.322 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.7 -50.06 47.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 73.239999999999995 109.3 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.78 -38.12 86.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 74.150000000000006 109.294 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.49 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 3.4 tt0 -59.72 -45.37 92.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 74.099999999999994 110.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.39 -25.5 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.627 1.204 . . . . 74.430000000000007 109.26 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.39 -40.52 64.25 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 71.530000000000001 110.313 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 0.8 OUTLIER -58.26 -25.52 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 72.129999999999995 109.346 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.31 -34.45 75.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 75.109999999999999 109.27 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.01 98.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 75.239999999999995 109.282 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.408 ' CD2' HG22 ' B' ' 9' ' ' ILE . 3.3 mm? -70.86 -25.81 62.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 74.5 109.261 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -36.48 83.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 70.230000000000004 110.185 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -69.09 -27.09 65.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 74.450000000000003 109.26 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.3 -26.75 63.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 70.439999999999998 110.342 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.2 mt -67.16 -31.08 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 71.430000000000007 109.314 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.86 -39.99 76.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 73.340000000000003 109.271 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.94 -43.27 8.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.183 . . . . 72.340000000000003 109.323 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.453 HD21 ' CD2' ' B' ' 19' ' ' LEU . 4.5 tp -53.32 -63.02 1.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.073 . . . . 75.299999999999997 109.381 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.61 -59.17 4.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.542 1.151 . . . . 72.430000000000007 110.354 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 73.340000000000003 109.249 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.313 -0.625 . . . . 71.519999999999996 109.313 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 2.0 pp -112.53 -34.0 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 73.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.29 -25.21 62.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 73.140000000000001 109.321 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.34 -59.09 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 72.120000000000005 109.215 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.14 -39.03 71.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 73.129999999999995 109.307 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -50.84 -44.91 59.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 73.430000000000007 109.299 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.26 -31.55 71.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 75.319999999999993 110.287 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -66.11 -33.39 75.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 65.150000000000006 109.267 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.408 HG22 ' CD2' ' A' ' 12' ' ' LEU . 39.6 mt -62.6 -49.05 85.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 74.430000000000007 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.32 -23.53 65.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 72.530000000000001 109.294 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.7 -66.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 73.400000000000006 109.29 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.61 -29.71 68.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 73.519999999999996 109.279 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 19.9 tttm -65.26 -34.05 77.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 74.129999999999995 109.261 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.49 -36.99 28.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 72.439999999999998 110.327 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -63.23 -54.18 41.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 74.409999999999997 109.284 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 2.1 pp -55.24 -33.6 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 73.310000000000002 109.244 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.6 -35.9 82.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 63.219999999999999 109.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.92 -33.58 76.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.126 . . . . 73.400000000000006 109.319 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.453 ' CD2' HD21 ' A' ' 19' ' ' LEU . 12.3 mt -75.91 -36.15 59.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 74.540000000000006 109.324 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -52.63 60.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 72.510000000000005 109.355 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 74.140000000000001 110.289 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.326 -0.25 . . . . 74.109999999999999 110.326 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.4 pt -123.22 -44.92 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 72.510000000000005 109.345 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.92 -24.23 50.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 73.530000000000001 109.305 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.27 -28.95 38.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 73.510000000000005 109.29 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.491 ' CD1' ' C ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -58.18 -43.27 87.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 74.549999999999997 109.309 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -75.07 -35.92 61.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 75.299999999999997 110.312 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -68.52 -26.15 65.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 75.319999999999993 109.325 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.91 -52.9 8.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 65.109999999999999 110.305 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 pt -69.43 -25.23 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 73.040000000000006 109.362 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.48 -28.81 9.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 74.340000000000003 109.328 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 14' ' ' LYS . . . -64.4 -38.52 91.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 64.230000000000004 109.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -44.41 -49.61 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 75.310000000000002 109.291 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -54.02 -38.07 64.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 70.209999999999994 110.306 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -75.15 -26.95 59.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 73.219999999999999 109.309 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.87 -52.22 21.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.079 . . . . 72.409999999999997 110.343 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.4 pt -64.72 -32.64 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 73.310000000000002 109.323 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.61 -27.3 38.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 72.120000000000005 109.305 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.77 -45.51 14.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 55.340000000000003 109.326 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tp -53.94 -55.0 31.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 75.230000000000004 109.301 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -60.85 -51.14 70.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 74.519999999999996 110.306 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.4 tttt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 75.25 109.255 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.268 -0.642 . . . . 71.420000000000002 109.268 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 pt -106.89 -28.35 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.497 1.123 . . . . 74.400000000000006 109.344 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.27 -31.91 73.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 71.129999999999995 109.332 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.87 -20.86 38.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 75.5 109.309 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -67.82 -39.12 83.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 71.329999999999998 109.281 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.474 ' N ' ' CD1' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -74.76 -44.57 49.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 74.439999999999998 109.377 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.37 -49.37 69.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 75.409999999999997 110.335 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.83 -51.43 69.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 74.219999999999999 109.331 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 mm -57.62 -31.05 38.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.157 . . . . 72.510000000000005 109.269 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.11 -36.55 79.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 73.450000000000003 109.286 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.32 -33.19 72.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 74.200000000000003 109.271 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -40.82 94.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 70.219999999999999 109.3 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -69.45 -33.69 73.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 74.129999999999995 109.254 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.93 -30.06 58.58 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.491 1.119 . . . . 74.319999999999993 110.268 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -75.19 -54.63 6.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 72.450000000000003 109.331 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 2.6 pp -59.63 -34.2 54.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 74.200000000000003 109.337 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.09 -43.79 41.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 72.109999999999999 109.275 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.28 -52.74 60.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 74.209999999999994 109.324 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.421 ' CD2' ' O ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -55.23 -43.67 74.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.168 . . . . 74.349999999999994 109.3 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.11 -49.3 76.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 74.430000000000007 109.324 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 64.200000000000003 110.332 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.283 -0.266 . . . . 73.219999999999999 110.283 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.1 pt -88.85 -22.29 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 73.540000000000006 109.321 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.02 -23.57 64.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 61.409999999999997 109.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.61 -21.05 24.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 73.519999999999996 109.262 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.499 ' CD2' ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -54.67 -31.95 58.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 74.099999999999994 109.224 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.456 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 2.2 tt0 -70.79 -33.3 70.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 73.030000000000001 110.262 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -73.68 -36.92 65.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 72.319999999999993 109.244 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -65.51 -54.84 22.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 64.25 110.304 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.41 ' CD1' ' CD2' ' A' ' 5' ' ' LEU . 85.6 mt -54.6 -39.19 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 73.140000000000001 109.301 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.82 -26.18 65.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 72.150000000000006 109.28 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.49 -50.24 33.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 71.439999999999998 109.325 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -47.29 78.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 75.109999999999999 109.224 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.456 ' HA ' ' CD1' ' A' ' 16' ' ' ILE . 11.5 tt0 -56.25 -50.57 70.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 74.030000000000001 110.323 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -52.84 -25.27 10.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 74.310000000000002 109.265 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -79.37 -39.71 31.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.416 1.073 . . . . 74.239999999999995 110.286 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 13' ' ' GLU . 4.7 mt -67.47 -52.97 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 75.430000000000007 109.267 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.17 -27.95 9.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 73.219999999999999 109.244 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.31 -46.04 68.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 109.267 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.471 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.53 -32.01 73.34 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.544 1.153 . . . . 72.150000000000006 109.251 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.09 -58.52 3.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 75.129999999999995 110.324 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 74.319999999999993 109.291 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.314 -0.624 . . . . 72.439999999999998 109.314 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 21.6 pt -73.87 -37.9 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 75.430000000000007 109.259 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.46 -27.77 64.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 74.329999999999998 109.344 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.42 -62.68 1.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 73.519999999999996 109.278 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.446 ' O ' ' CG1' ' B' ' 9' ' ' ILE . 3.6 pp -58.11 -33.46 69.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 75.150000000000006 109.319 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -32.5 74.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 70.109999999999999 109.273 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -78.35 -46.85 19.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.401 1.063 . . . . 64.439999999999998 110.254 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -55.41 -54.83 38.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 73.420000000000002 109.326 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.446 ' CG1' ' O ' ' B' ' 5' ' ' LEU . 1.6 pp -56.12 -30.99 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 63.439999999999998 109.296 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -36.53 80.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 74.409999999999997 109.248 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.39 -44.35 87.79 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.578 1.173 . . . . 74.109999999999999 109.253 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mt -72.43 -32.7 66.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 74.400000000000006 109.353 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -69.95 -29.09 66.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 72.519999999999996 109.305 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -80.99 -29.56 35.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 75.040000000000006 110.323 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -75.02 -46.78 32.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 71.310000000000002 109.315 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.456 ' CG2' HG13 ' A' ' 16' ' ' ILE . 2.0 pp -64.3 -30.96 51.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 74.299999999999997 109.264 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.12 -24.89 1.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 72.349999999999994 109.273 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.05 -41.98 24.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 74.219999999999999 109.243 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.431 ' C ' ' CD2' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -62.55 -47.73 82.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 75.5 109.333 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.402 ' N ' HD11 ' B' ' 19' ' ' LEU . 1.1 ttpm? -52.21 -46.23 65.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 75.439999999999998 109.282 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 72.230000000000004 110.342 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.323 -0.251 . . . . 73.030000000000001 110.323 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 86.6 mt -128.82 -62.35 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 75.040000000000006 109.249 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.4 -22.77 57.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 74.129999999999995 109.323 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.1 -22.87 57.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 72.230000000000004 109.248 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.52 -32.82 63.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 73.519999999999996 109.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -67.55 -31.32 71.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 74.319999999999993 110.3 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -74.75 -47.81 29.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 75.310000000000002 109.33 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -59.23 -53.69 55.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 75.510000000000005 110.337 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -58.26 -31.03 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 63.32 109.334 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.55 -28.04 52.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 74.430000000000007 109.328 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.81 -34.77 78.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 74.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.19 -45.57 66.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 63.409999999999997 109.286 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -31.65 52.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 73.150000000000006 110.288 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.5 -36.47 57.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 74.340000000000003 109.363 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -65.12 -52.89 52.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 74.120000000000005 110.317 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.2 pp -61.19 -26.28 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 74.219999999999999 109.324 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.13 -30.49 26.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 61.520000000000003 109.31 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -39.0 76.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 62.329999999999998 109.332 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.414 ' CD2' ' HB2' ' B' ' 19' ' ' LEU . 7.2 tp -64.15 -54.14 38.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 70.510000000000005 109.258 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -56.55 20.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 64.319999999999993 110.303 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 73.450000000000003 109.287 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.311 -0.626 . . . . 74.540000000000006 109.311 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 37.7 pt -107.1 -33.56 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 70.299999999999997 109.33 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.5 -27.46 68.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.41 1.069 . . . . 72.310000000000002 109.353 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.01 -54.56 45.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 74.150000000000006 109.335 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.84 -39.57 62.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 71.099999999999994 109.28 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.35 -40.91 92.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 75.310000000000002 109.311 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -72.54 -33.21 66.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 71.239999999999995 110.352 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -53.7 51.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 74.049999999999997 109.265 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 34.6 pt -60.68 -32.1 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 75.349999999999994 109.296 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.55 -25.09 62.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 70.150000000000006 109.369 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.38 -57.54 3.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 73.319999999999993 109.363 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.487 ' CD1' ' C ' ' B' ' 12' ' ' LEU . 0.4 OUTLIER -55.72 -34.41 65.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 72.439999999999998 109.279 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -66.89 -31.45 72.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 70.510000000000005 109.325 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -78.5 -40.19 35.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 70.319999999999993 110.307 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -64.75 -52.55 56.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 75.120000000000005 109.31 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 2.1 pp -59.63 -36.69 66.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 71.430000000000007 109.31 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.65 -51.63 62.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 63.109999999999999 109.332 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.64 -63.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 74.200000000000003 109.329 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.414 ' HB2' ' CD2' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -52.1 -34.43 44.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 75.230000000000004 109.33 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -50.71 69.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 74.049999999999997 109.35 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 74.510000000000005 110.302 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.332 -0.248 . . . . 73.519999999999996 110.332 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -92.27 -28.4 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 75.120000000000005 109.319 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.76 -31.23 71.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 72.109999999999999 109.282 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.43 -21.89 62.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 71.420000000000002 109.36 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.478 ' CD1' ' C ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -54.42 -45.09 72.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 71.540000000000006 109.305 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.77 -36.25 82.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 62.420000000000002 110.308 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -26.66 61.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 74.420000000000002 109.324 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.52 -51.08 21.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 74.420000000000002 110.268 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 pt -70.92 -31.54 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 74.420000000000002 109.378 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.6 -28.02 68.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 62.420000000000002 109.326 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.46 87.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 73.129999999999995 109.324 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -87.99 -21.06 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 72.430000000000007 109.323 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -37.03 65.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 73.209999999999994 110.288 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -26.53 60.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 75.200000000000003 109.283 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.65 -53.15 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 74.400000000000006 110.369 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 pp -64.4 -26.0 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 74.120000000000005 109.331 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.77 -23.62 4.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.439 1.087 . . . . 63.32 109.26 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.02 -47.76 56.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.433 1.083 . . . . 72.219999999999999 109.309 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.41 -59.54 4.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 75.310000000000002 109.266 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -52.41 -57.81 8.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.494 1.121 . . . . 73.239999999999995 110.234 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 72.430000000000007 109.33 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.331 -0.618 . . . . 74.140000000000001 109.331 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 1.2 pt -72.11 -32.09 42.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 74.420000000000002 109.34 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.21 -26.7 64.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 64.299999999999997 109.31 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.47 -39.78 27.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 73.329999999999998 109.241 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.45 ' CD1' ' C ' ' B' ' 5' ' ' LEU . 0.4 OUTLIER -66.4 -34.51 78.11 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.538 1.149 . . . . 73.019999999999996 109.333 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -53.67 -49.71 67.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.622 1.201 . . . . 74.239999999999995 109.329 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -77.17 -34.04 56.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 71.409999999999997 110.363 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -51.0 -41.76 59.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 75.219999999999999 109.322 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 4.9 mm -67.19 -43.37 88.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 73.540000000000006 109.313 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.4 ' HA ' ' CB ' ' B' ' 13' ' ' LYS . . . -59.23 -29.19 67.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 74.519999999999996 109.249 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.11 -54.97 27.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.442 1.089 . . . . 72.129999999999995 109.353 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mp -75.6 -31.9 60.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 73.299999999999997 109.278 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.4 ' CB ' ' HA ' ' B' ' 10' ' ' ALA . 0.1 OUTLIER -50.78 -33.88 25.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 73.340000000000003 109.343 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.96 -39.91 33.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 72.129999999999995 110.291 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -39.86 81.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 72.5 109.273 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 13.5 mt -63.87 -35.62 73.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 72.439999999999998 109.293 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.9 -28.44 56.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 61.5 109.266 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.16 -57.82 6.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 74.400000000000006 109.325 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -53.87 -50.18 66.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 71.420000000000002 109.258 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.17 -45.92 65.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 73.140000000000001 109.302 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 74.329999999999998 110.315 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.335 -0.246 . . . . 64.540000000000006 110.335 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.1 mt -113.36 -35.2 2.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 73.129999999999995 109.25 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.36 -23.96 67.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 63.25 109.377 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.27 -21.15 59.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 63.520000000000003 109.3 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.23 -40.68 86.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.179 . . . . 74.340000000000003 109.323 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.21 -42.57 86.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 73.140000000000001 110.318 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -75.14 -30.04 60.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 74.329999999999998 109.33 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.07 -53.35 51.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 70.530000000000001 110.283 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 46.9 pt -58.79 -33.89 50.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.606 1.191 . . . . 75.219999999999999 109.333 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.29 -25.9 67.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 74.120000000000005 109.318 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.37 -41.84 76.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 72.420000000000002 109.363 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.423 ' N ' ' CD2' ' A' ' 12' ' ' LEU . 2.0 mm? -88.72 -31.46 18.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.164 . . . . 75.329999999999998 109.273 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.44 -39.83 70.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 73.329999999999998 110.3 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -69.79 -27.27 64.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 72.530000000000001 109.314 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.22 -49.77 26.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 75.340000000000003 110.344 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 pt -71.4 -27.94 30.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 74.530000000000001 109.298 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.92 -23.22 67.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 72.319999999999993 109.262 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.61 -50.53 10.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 64.519999999999996 109.328 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.27 -43.23 82.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 74.109999999999999 109.303 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.2 -50.42 72.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 75.200000000000003 110.295 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 74.409999999999997 109.278 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.294 -0.632 . . . . 72.230000000000004 109.294 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -47.22 -39.03 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 74.319999999999993 109.263 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.39 -41.13 94.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 73.030000000000001 109.301 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.79 -35.45 80.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 74.329999999999998 109.265 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.25 -51.91 67.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.591 1.182 . . . . 75.239999999999995 109.279 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -51.55 -35.17 39.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 73.450000000000003 109.36 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -75.69 -32.64 60.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.554 1.159 . . . . 64.409999999999997 110.257 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -54.67 21.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 75.400000000000006 109.352 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 45.9 pt -63.52 -33.56 62.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 74.530000000000001 109.338 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.91 -26.94 65.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 71.319999999999993 109.334 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.63 -48.88 20.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.593 1.183 . . . . 73.239999999999995 109.346 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mt -67.26 -30.16 69.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 73.099999999999994 109.276 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -57.09 -29.34 63.41 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.446 1.091 . . . . 70.129999999999995 109.345 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -76.15 -30.67 58.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 74.340000000000003 110.322 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -75.09 -54.61 6.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 74.209999999999994 109.299 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.43 -32.1 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 72.420000000000002 109.286 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.8 -25.18 68.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 72.400000000000006 109.292 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.24 -51.82 11.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 73.319999999999993 109.285 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.03 -37.94 64.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 73.430000000000007 109.289 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -59.78 -50.16 74.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 74.439999999999998 109.309 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 73.0 110.366 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 110.327 -0.249 . . . . 74.319999999999993 110.327 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 30.0 pt -89.69 -21.18 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 74.329999999999998 109.245 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.33 -30.78 67.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.409 1.068 . . . . 64.549999999999997 109.246 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.09 68.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 64.239999999999995 109.271 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.16 -32.05 63.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 72.430000000000007 109.332 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -72.88 -37.85 67.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 74.019999999999996 110.377 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -28.71 61.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 74.209999999999994 109.367 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.18 -50.29 41.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 75.200000000000003 110.274 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.33 -35.05 60.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 73.540000000000006 109.395 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.33 -29.93 66.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 75.129999999999995 109.311 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.25 -61.92 2.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 70.150000000000006 109.318 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.05 -25.59 63.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 74.209999999999994 109.286 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.86 -36.5 83.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 64.420000000000002 110.288 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -70.87 -26.32 63.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 73.430000000000007 109.266 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.34 -50.81 13.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 75.019999999999996 110.314 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.1 pp -68.14 -30.28 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 74.010000000000005 109.306 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.81 -24.46 64.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 75.420000000000002 109.268 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.75 -49.21 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 71.219999999999999 109.322 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.51 -41.98 66.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 72.5 109.296 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -67.39 -49.07 65.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.414 1.071 . . . . 75.420000000000002 110.298 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 74.409999999999997 109.287 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.263 -0.643 . . . . 75.310000000000002 109.263 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 5.8 pt -74.55 -37.58 44.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 75.219999999999999 109.281 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.02 85.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 75.200000000000003 109.294 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.18 -39.46 68.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 71.040000000000006 109.345 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.49 ' C ' ' CD2' ' B' ' 5' ' ' LEU . 0.2 OUTLIER -57.6 -34.3 69.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 74.409999999999997 109.285 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -64.18 -47.43 79.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.484 1.115 . . . . 74.409999999999997 109.292 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.98 -33.22 75.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 75.239999999999995 110.275 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -61.38 -54.85 38.31 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.608 1.193 . . . . 75.099999999999994 109.268 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 20.2 pt -61.03 -32.9 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 73.430000000000007 109.323 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.72 -23.54 62.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 75.109999999999999 109.279 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.55 -48.67 38.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 61.25 109.253 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.46 -30.04 61.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 72.209999999999994 109.246 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -59.5 -28.97 67.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 73.310000000000002 109.25 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.52 -37.95 55.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 70.129999999999995 110.227 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -54.59 22.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 73.400000000000006 109.354 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 2.2 pp -55.18 -32.48 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 73.310000000000002 109.255 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.12 -33.48 72.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 74.400000000000006 109.294 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.1 -57.76 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 73.400000000000006 109.258 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.5 tp -51.32 -40.33 58.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 75.310000000000002 109.34 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -52.15 66.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 65.420000000000002 109.323 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 74.209999999999994 110.296 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.304 -0.258 . . . . 64.420000000000002 110.304 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mt -72.33 -53.11 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 75.420000000000002 109.345 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.12 -21.12 59.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 65.340000000000003 109.341 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.01 -59.05 4.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 75.219999999999999 109.274 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 pp -61.0 -38.86 87.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 73.239999999999995 109.293 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -53.14 -35.25 59.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 73.439999999999998 110.351 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -38.45 61.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 109.354 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -61.05 -54.49 44.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 75.129999999999995 110.322 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 pp -61.71 -25.6 37.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 75.340000000000003 109.308 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.99 -25.95 64.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 73.349999999999994 109.353 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 14' ' ' LYS . . . -66.44 -35.16 79.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 71.409999999999997 109.324 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.428 HD13 ' CB ' ' B' ' 12' ' ' LEU . 5.2 tt -49.56 -37.44 27.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 74.409999999999997 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.2 -32.66 74.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 65.109999999999999 110.309 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -76.53 -42.96 41.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 75.450000000000003 109.331 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.41 -54.59 41.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 74.430000000000007 110.282 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.431 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -63.14 -26.14 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 75.420000000000002 109.346 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 16' ' ' ILE . . . -70.85 -32.72 69.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 75.230000000000004 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.46 -62.19 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 74.209999999999994 109.288 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 pp -55.54 -37.44 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 73.329999999999998 109.31 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.431 ' CB ' ' O ' ' A' ' 16' ' ' ILE . 25.1 tt0 -58.83 -52.83 64.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 71.439999999999998 110.249 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 tttm . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 75.439999999999998 109.261 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 7.2 mttt . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.273 -0.64 . . . . 72.239999999999995 109.273 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 pp -60.95 -23.34 29.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 72.430000000000007 109.331 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.26 -25.5 66.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 74.230000000000004 109.372 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.93 -21.36 20.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 73.329999999999998 109.322 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.472 ' C ' ' CD2' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -52.53 -33.06 43.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 71.540000000000006 109.254 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.447 ' N ' ' CD1' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -67.39 -35.89 80.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 74.319999999999993 109.326 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -73.66 -45.32 53.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 75.329999999999998 110.296 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -60.59 -53.87 52.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.064 . . . . 72.310000000000002 109.346 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -33.25 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 74.010000000000005 109.34 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' B' ' 6' ' ' LYS . . . -64.36 -25.56 68.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.355 1.034 . . . . 74.230000000000004 109.274 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.8 -24.31 58.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 63.530000000000001 109.364 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.428 ' CB ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -74.41 -32.01 62.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 71.329999999999998 109.305 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -69.91 -42.59 73.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 74.409999999999997 109.312 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -74.26 -30.3 62.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 62.520000000000003 110.285 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -67.13 -51.57 52.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 71.450000000000003 109.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 11.3 pt -63.07 -34.66 67.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 73.329999999999998 109.306 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.96 -32.54 15.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 75.120000000000005 109.27 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.53 -50.41 72.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 64.430000000000007 109.375 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -61.93 -47.75 83.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 73.540000000000006 109.256 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -47.69 60.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 74.340000000000003 109.242 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 73.530000000000001 110.245 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.377 -0.231 . . . . 74.329999999999998 110.377 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.6 pt -72.57 -29.15 29.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 74.109999999999999 109.32 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.94 -25.3 63.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 74.230000000000004 109.312 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.95 -47.6 68.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 62.229999999999997 109.277 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.444 ' CD1' ' N ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -59.8 -42.89 94.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 74.439999999999998 109.284 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.444 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 3.3 tt0 -58.22 -44.81 88.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 75.209999999999994 110.349 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -33.37 73.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 73.25 109.298 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.63 -54.84 29.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 75.299999999999997 110.305 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.403 HG13 ' N ' ' A' ' 10' ' ' ALA . 48.4 pt -62.7 -42.58 96.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 75.340000000000003 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.403 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -56.62 -25.67 53.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 75.439999999999998 109.346 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 14' ' ' LYS . . . -71.53 -59.47 2.74 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.451 1.094 . . . . 54.539999999999999 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.471 ' CD1' ' C ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -45.82 -29.8 1.46 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.549 1.156 . . . . 71.510000000000005 109.273 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.38 -42.97 74.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 63.43 110.276 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -74.08 -27.46 60.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 75.25 109.311 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -68.55 -54.35 17.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 72.519999999999996 110.311 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.8 pt -60.21 -26.05 35.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 74.319999999999993 109.279 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.64 -27.4 67.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 73.340000000000003 109.303 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.64 -45.25 9.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 71.299999999999997 109.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.75 -46.22 77.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 73.209999999999994 109.34 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -70.35 -41.19 73.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 71.420000000000002 110.35 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 74.510000000000005 109.359 179.898 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.249 -0.648 . . . . 74.530000000000001 109.249 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 mt -60.37 -44.6 96.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 74.120000000000005 109.313 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.23 -30.96 71.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 64.049999999999997 109.324 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.74 -48.89 77.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 74.129999999999995 109.313 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.98 -32.63 73.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 70.099999999999994 109.297 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -46.96 87.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 71.430000000000007 109.317 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.15 -46.51 64.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 74.329999999999998 110.268 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -50.94 -53.69 30.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 71.329999999999998 109.274 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -32.92 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 72.510000000000005 109.282 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.18 -23.47 21.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 74.310000000000002 109.312 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.91 89.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 75.239999999999995 109.328 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.81 -34.81 51.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 75.510000000000005 109.314 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.6 -34.45 26.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 74.409999999999997 109.298 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.44 -27.63 34.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.143 . . . . 70.510000000000005 110.289 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -67.87 -45.03 75.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 75.540000000000006 109.301 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.4 HG13 ' N ' ' B' ' 17' ' ' ALA . 6.8 pt -71.23 -31.32 43.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 64.200000000000003 109.27 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.4 ' N ' HG13 ' B' ' 16' ' ' ILE . . . -50.16 -28.89 8.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 72.010000000000005 109.326 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.44 -48.42 64.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 63.210000000000001 109.305 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.15 -35.59 75.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 74.230000000000004 109.42 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -51.18 58.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 74.340000000000003 109.364 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 73.319999999999993 110.24 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.268 -0.271 . . . . 61.140000000000001 110.268 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.596 ' HA ' HD12 ' A' ' 5' ' ' LEU . 1.5 pp -66.66 -21.23 28.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.506 1.129 . . . . 72.420000000000002 109.295 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.25 -21.65 59.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 52.439999999999998 109.353 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.65 -30.09 22.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 64.239999999999995 109.317 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 2' ' ' ILE . 16.7 mt -70.87 -41.19 71.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 52.200000000000003 109.264 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -74.75 -30.86 61.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 54.420000000000002 110.338 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 0.8 OUTLIER -69.46 -32.68 71.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 74.200000000000003 109.287 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.668 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.4 tt0 -68.06 -25.66 65.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 74.030000000000001 110.266 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.409 HD13 HG22 ' B' ' 9' ' ' ILE . 3.6 mm -54.14 -46.3 66.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.538 1.148 . . . . 74.439999999999998 109.335 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.43 -26.64 68.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.418 1.074 . . . . 72.129999999999995 109.319 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 8' ' ' GLU . . . -64.13 -55.35 22.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 54.439999999999998 109.311 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.509 HD11 ' HB ' ' B' ' 9' ' ' ILE . 0.8 OUTLIER -68.78 -23.13 64.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 71.230000000000004 109.372 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.91 ' O ' HG22 ' A' ' 16' ' ' ILE . 1.0 OUTLIER -72.08 -37.8 69.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 73.120000000000005 110.264 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.548 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 7.1 tttt -74.76 -34.04 62.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 62.130000000000003 109.307 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.14 -41.04 99.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 72.299999999999997 110.26 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.91 HG22 ' O ' ' A' ' 13' ' ' GLU . 7.2 tt -60.24 -25.4 33.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 71.230000000000004 109.267 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 14' ' ' LYS . . . -65.72 -24.27 66.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 75.030000000000001 109.256 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.16 -28.04 62.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 52.200000000000003 109.304 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.062 HD13 HD22 ' B' ' 19' ' ' LEU . 0.1 OUTLIER -53.56 -39.13 64.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 61.25 109.324 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.4 ' N ' ' HG ' ' A' ' 19' ' ' LEU . 4.0 tt0 -78.8 -57.42 3.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 70.409999999999997 110.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 63.439999999999998 109.294 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 1' ' ' LYS . . . . . 0.444 ' O ' ' HB3' ' B' ' 4' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.296 -0.631 . . . . 70.010000000000005 109.296 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp -68.19 -35.22 70.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 62.229999999999997 109.257 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.34 -29.68 68.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 74.209999999999994 109.237 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' B' ' 1' ' ' LYS . . . -53.38 -59.26 4.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 61.219999999999999 109.295 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.18 -44.76 78.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 72.329999999999998 109.289 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.97 -28.06 9.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 73.439999999999998 109.281 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' B' ' 10' ' ' ALA . 3.3 mt-10 -78.3 -48.0 16.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 74.409999999999997 110.309 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.44 -51.71 64.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.405 1.065 . . . . 53.439999999999998 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.509 ' HB ' HD11 ' A' ' 12' ' ' LEU . 40.4 pt -61.57 -30.97 49.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 72.420000000000002 109.311 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' B' ' 7' ' ' GLU . . . -67.7 -25.66 65.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 75.319999999999993 109.267 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.58 -47.89 13.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 64.549999999999997 109.302 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.81 -29.74 70.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.185 . . . . 74.549999999999997 109.29 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -67.74 -35.4 78.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 74.140000000000001 109.261 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -81.23 -30.86 34.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 64.439999999999998 110.309 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.19 -54.23 27.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 74.540000000000006 109.344 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 pp -63.32 -35.56 72.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 51.409999999999997 109.296 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.2 -29.99 71.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 50.439999999999998 109.287 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.99 -59.18 2.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 43.030000000000001 109.261 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 1.062 HD22 HD13 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -56.74 -32.68 65.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 75.030000000000001 109.337 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.45 -50.56 62.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.401 1.063 . . . . 73.109999999999999 109.233 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 75.239999999999995 110.254 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.341 -0.244 . . . . 71.299999999999997 110.341 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.8 pt -85.83 -25.9 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 53.219999999999999 109.297 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.92 -49.52 77.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 75.120000000000005 109.281 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.67 78.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 54.030000000000001 109.345 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.72 HD22 ' HB2' ' B' ' 5' ' ' LEU . 3.0 tp -55.92 -53.48 56.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 74.200000000000003 109.304 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -56.9 -33.89 67.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 74.209999999999994 110.292 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.87 -29.6 62.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 64.120000000000005 109.277 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.96 -51.81 23.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 65.510000000000005 110.322 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pt -66.29 -25.87 36.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.578 1.174 . . . . 74.109999999999999 109.308 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.12 -32.93 72.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 73.530000000000001 109.288 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.11 -44.37 30.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 75.530000000000001 109.368 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.523 HD21 ' HB3' ' B' ' 15' ' ' LYS . 1.4 tm? -45.31 -55.23 6.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 61.149999999999999 109.278 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.549 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 5.5 tt0 -55.04 -33.62 62.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 71.109999999999999 110.256 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -75.15 -27.2 59.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 72.120000000000005 109.26 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.55 -51.03 15.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 63.399999999999999 110.328 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.8 pt -68.95 -34.05 62.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 61.340000000000003 109.329 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 13' ' ' GLU . . . -51.21 -35.05 34.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 45.539999999999999 109.266 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.03 -38.88 61.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 60.439999999999998 109.32 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.403 ' C ' HD13 ' A' ' 19' ' ' LEU . 3.4 tm? -58.75 -50.31 74.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 71.430000000000007 109.323 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.52 -56.26 21.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 72.129999999999995 110.308 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 64.439999999999998 109.268 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.282 -0.636 . . . . 72.319999999999993 109.282 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' ILE . . . . . 0.588 ' HA ' HD23 ' B' ' 5' ' ' LEU . 35.1 pt -106.14 -38.07 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 71.040000000000006 109.269 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.42 -34.56 69.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 74.510000000000005 109.293 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.47 -46.25 60.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 60.240000000000002 109.357 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.72 ' HB2' HD22 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -56.76 -32.59 65.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 75.230000000000004 109.349 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -65.94 -34.03 77.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 54.43 109.265 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' B' ' 10' ' ' ALA . 1.4 mp0 -77.94 -33.81 51.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 62.140000000000001 110.327 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -48.02 83.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 52.039999999999999 109.328 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.76 ' HA ' HD23 ' B' ' 12' ' ' LEU . 45.5 pt -64.08 -35.98 75.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.605 1.191 . . . . 72.519999999999996 109.309 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' B' ' 7' ' ' GLU . . . -54.37 -41.59 69.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 55.299999999999997 109.303 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.67 -43.96 83.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.591 1.182 . . . . 74.519999999999996 109.313 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.76 HD23 ' HA ' ' B' ' 9' ' ' ILE . 0.1 OUTLIER -56.59 -32.2 65.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 75.230000000000004 109.327 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -37.16 76.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 72.129999999999995 109.306 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.612 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 12.8 mt-10 -73.85 -33.68 64.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 61.229999999999997 110.321 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.523 ' HB3' HD21 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -63.99 -53.49 49.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 75.329999999999998 109.302 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.494 HG23 ' O ' ' B' ' 12' ' ' LEU . 25.7 pt -55.78 -33.28 33.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 53.350000000000001 109.297 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' B' ' 14' ' ' GLU . . . -48.48 -31.8 6.91 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.53 1.144 . . . . 54.439999999999998 109.357 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.07 -56.72 6.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 72.329999999999998 109.351 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.415 HD12 ' O ' ' B' ' 19' ' ' LEU . 0.2 OUTLIER -51.72 -33.69 35.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 65.319999999999993 109.32 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -52.78 42.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 72.120000000000005 109.354 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.17 . . . . 74.340000000000003 110.372 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.302 -0.258 . . . . 63.340000000000003 110.302 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 25.0 mt -102.69 -43.87 9.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 75.140000000000001 109.334 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.78 -27.51 63.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 70.150000000000006 109.341 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.9 -33.6 74.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 31.109999999999999 109.259 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.5 mt -66.34 -35.57 80.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 61.32 109.324 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.9 -31.21 56.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.075 . . . . 64.439999999999998 110.296 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -74.08 -31.89 63.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 62.229999999999997 109.295 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.34 -54.77 27.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 71.019999999999996 110.364 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.711 ' CG2' HD13 ' B' ' 9' ' ' ILE . 2.0 pp -64.98 -36.76 78.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 73.329999999999998 109.345 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.89 -26.29 65.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 72.140000000000001 109.337 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.6 -49.88 13.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 61.439999999999998 109.34 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.838 ' HG ' HD13 ' B' ' 12' ' ' LEU . 1.2 mm? -58.26 -54.16 50.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 64.099999999999994 109.284 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -50.0 -38.94 39.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 71.439999999999998 110.315 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -37.51 79.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 73.120000000000005 109.342 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -65.1 -43.1 93.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 71.010000000000005 110.304 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.529 HG23 ' HB3' ' B' ' 19' ' ' LEU . 9.4 mm -73.73 -33.02 36.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 72.409999999999997 109.301 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.66 -24.72 35.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 50.409999999999997 109.28 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.84 -31.88 68.72 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.152 . . . . 64.109999999999999 109.248 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.462 ' HG ' HD13 ' B' ' 19' ' ' LEU . 3.9 mm? -72.6 -51.92 17.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 70.5 109.332 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.29 -53.81 53.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 73.420000000000002 110.257 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 60.409999999999997 109.346 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 1' ' ' LYS . . . . . 0.404 ' HB3' ' HB2' ' B' ' 4' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.281 -0.637 . . . . 64.5 109.281 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 2' ' ' ILE . . . . . 0.469 ' O ' HD22 ' B' ' 5' ' ' LEU . 15.4 mm -122.33 -55.89 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 73.040000000000006 109.255 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.92 -24.53 62.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 73.5 109.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.404 ' HB2' ' HB3' ' B' ' 1' ' ' LYS . . . -49.78 -60.65 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 42.130000000000003 109.247 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.653 ' N ' HD13 ' B' ' 5' ' ' LEU . 0.1 OUTLIER -53.93 -35.24 61.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 74.140000000000001 109.285 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -61.57 -37.14 82.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 74.230000000000004 109.265 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -75.03 -35.68 61.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 110.31 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.657 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 6.8 mptt -56.55 -29.46 62.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 73.040000000000006 109.332 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.711 HD13 ' CG2' ' A' ' 9' ' ' ILE . 47.9 mm -52.75 -42.59 42.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 75.319999999999993 109.353 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.41 -24.16 67.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 72.200000000000003 109.327 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -66.17 -38.34 87.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.107 . . . . 75.430000000000007 109.253 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.838 HD13 ' HG ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -63.4 -40.2 96.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 73.430000000000007 109.283 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -34.46 78.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 74.209999999999994 109.241 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 2.7 tt0 -77.67 -28.57 51.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 75.129999999999995 110.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -37.65 82.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 70.409999999999997 109.336 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 67.2 mt -60.01 -32.3 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 71.239999999999995 109.319 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' B' ' 14' ' ' GLU . . . -56.21 -45.73 79.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 63.32 109.251 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.72 -54.7 25.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 72.129999999999995 109.25 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.695 HD12 ' C ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -52.4 -50.46 62.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 74.030000000000001 109.301 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.407 ' N ' ' HG ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -49.19 -51.32 33.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 73.219999999999999 109.263 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 74.430000000000007 110.312 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.344 -0.243 . . . . 43.049999999999997 110.344 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.2 mp -114.63 -39.46 2.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.505 1.128 . . . . 64.040000000000006 109.302 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.65 -21.13 66.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.145 . . . . 72.540000000000006 109.316 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.9 -54.08 51.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 72.540000000000006 109.293 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.48 -39.99 74.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 70.150000000000006 109.305 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -66.84 -34.34 77.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 64.409999999999997 110.307 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.4 tttt -74.57 -31.02 61.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.394 1.059 . . . . 63.530000000000001 109.266 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.408 ' O ' HD23 ' A' ' 12' ' ' LEU . 5.6 mt-10 -69.83 -54.77 12.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 62.219999999999999 110.339 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.97 -37.57 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 74.209999999999994 109.29 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.34 -31.33 71.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 61.539999999999999 109.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.32 -49.26 64.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 74.209999999999994 109.315 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.8 ' HG ' HD13 ' B' ' 12' ' ' LEU . 4.1 mm? -61.34 -40.36 93.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 74.230000000000004 109.265 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.667 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 9.6 tt0 -49.22 -30.53 7.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 62.100000000000001 110.31 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -73.73 -42.09 61.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 64.219999999999999 109.282 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -54.72 25.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 60.240000000000002 110.333 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.614 HG21 ' HB3' ' B' ' 15' ' ' LYS . 1.1 pt -62.07 -32.82 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 74.230000000000004 109.284 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 13' ' ' GLU . . . -51.4 -32.23 25.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 63.32 109.276 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.17 -44.18 66.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 64.129999999999995 109.311 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.614 HD22 ' HB2' ' B' ' 19' ' ' LEU . 3.1 tp -53.42 -47.76 69.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 74.150000000000006 109.261 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.52 -56.0 24.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 73.439999999999998 110.279 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.327 -0.41 0 O-C-N 124.493 1.121 . . . . 52.43 109.293 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 1' ' ' LYS . . . . . 0.563 ' O ' HD22 ' B' ' 5' ' ' LEU . 2.3 tttm . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.298 -0.63 . . . . 70.200000000000003 109.298 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 mt -74.99 -49.37 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 60.43 109.293 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.05 -26.97 65.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 70.439999999999998 109.348 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.29 -63.22 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 70.120000000000005 109.316 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.563 HD22 ' O ' ' B' ' 1' ' ' LYS . 1.3 mm? -58.73 -43.41 90.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 73.200000000000003 109.29 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.727 ' HA ' HD12 ' B' ' 9' ' ' ILE . 0.4 OUTLIER -52.5 -31.93 37.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.010000000000005 109.337 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -77.22 -32.15 55.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 55.200000000000003 110.283 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -32.96 70.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.088 . . . . 64.230000000000004 109.336 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' B' ' 6' ' ' LYS . 55.3 mt -61.86 -31.14 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 65.450000000000003 109.3 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.83 -23.13 62.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 63.350000000000001 109.297 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.22 -48.13 10.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 74.310000000000002 109.218 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.874 ' O ' HG23 ' B' ' 16' ' ' ILE . 0.5 OUTLIER -60.77 -29.76 69.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 74.019999999999996 109.273 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.501 ' N ' HD12 ' B' ' 12' ' ' LEU . 7.8 mttp -72.67 -45.13 60.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 64.299999999999997 109.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -27.52 64.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 64.129999999999995 110.273 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.614 ' HB3' HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -75.56 -54.53 6.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 70.209999999999994 109.35 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.874 HG23 ' O ' ' B' ' 12' ' ' LEU . 16.8 pt -56.75 -32.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 73.420000000000002 109.263 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.21 -35.62 80.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 63.299999999999997 109.247 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.39 -59.6 4.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 41.43 109.337 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.638 HD13 ' C ' ' B' ' 19' ' ' LEU . 2.0 tm? -51.76 -46.64 64.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 75.319999999999993 109.301 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -51.63 40.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 75.340000000000003 109.298 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 74.030000000000001 110.323 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.334 -0.247 . . . . 61.140000000000001 110.334 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.7 mt -64.45 -58.34 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 71.519999999999996 109.305 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.53 -21.4 62.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 61.100000000000001 109.184 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.92 -37.35 62.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 63.030000000000001 109.288 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.871 HD22 ' HB3' ' B' ' 5' ' ' LEU . 0.3 OUTLIER -52.65 -42.08 64.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 71.439999999999998 109.361 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -58.63 -34.15 70.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 75.299999999999997 110.257 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -73.96 -28.18 61.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 65.329999999999998 109.242 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.75 -54.66 7.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 70.109999999999999 110.335 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pt -63.95 -25.21 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 64.010000000000005 109.314 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -63.41 -28.74 70.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 51.329999999999998 109.279 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.89 99.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 72.310000000000002 109.362 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.771 ' HB2' HD13 ' B' ' 12' ' ' LEU . 5.2 tp -51.81 -48.2 63.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 71.400000000000006 109.288 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -54.17 -37.14 64.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.379 1.05 . . . . 73.010000000000005 110.301 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.81 -28.25 60.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.158 . . . . 74.349999999999994 109.243 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -70.95 -52.99 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 71.319999999999993 110.303 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.496 HD12 ' C ' ' A' ' 16' ' ' ILE . 2.5 pp -61.73 -28.35 43.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 64.209999999999994 109.366 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.471 ' N ' HD12 ' A' ' 16' ' ' ILE . . . -65.57 -28.02 68.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 64.010000000000005 109.307 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.7 -46.89 12.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 63.32 109.271 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -54.49 -53.48 53.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 62.310000000000002 109.353 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.85 -49.09 79.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 75.310000000000002 110.234 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 73.329999999999998 109.272 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.2 mttt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.369 -0.604 . . . . 72.519999999999996 109.369 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 1.2 mp -87.65 -63.9 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 73.319999999999993 109.307 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.48 -27.08 46.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 55.039999999999999 109.29 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.98 -31.59 29.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.168 . . . . 72.430000000000007 109.269 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.871 ' HB3' HD22 ' A' ' 5' ' ' LEU . 2.2 pp -55.97 -41.4 74.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 70.540000000000006 109.254 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.531 ' N ' HD12 ' B' ' 5' ' ' LEU . 0.2 OUTLIER -54.16 -48.6 70.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 70.209999999999994 109.31 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.53 -46.65 89.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 72.549999999999997 110.369 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -43.97 74.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 74.340000000000003 109.245 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 69.1 mt -71.83 -32.66 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 71.120000000000005 109.295 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.07 -35.74 81.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 23.219999999999999 109.302 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.29 -44.37 68.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 61.310000000000002 109.228 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.771 HD13 ' HB2' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -65.79 -33.99 77.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 65.340000000000003 109.253 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -60.34 -30.78 69.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 75.230000000000004 109.273 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.686 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 2.0 tm-20 -81.44 -45.4 16.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 74.019999999999996 110.297 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.546 ' HD2' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -55.7 -51.65 66.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.525 1.14 . . . . 73.409999999999997 109.341 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 1.4 pp -62.31 -31.46 51.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 74.219999999999999 109.293 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' B' ' 14' ' ' GLU . . . -51.34 -41.41 60.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 74.019999999999996 109.323 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.62 -60.3 4.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 61.229999999999997 109.29 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.631 ' O ' HD22 ' B' ' 19' ' ' LEU . 0.4 OUTLIER -53.01 -31.27 40.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 72.219999999999999 109.333 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -47.43 81.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 71.329999999999998 109.253 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 74.400000000000006 110.287 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.324 -0.25 . . . . 61.329999999999998 110.324 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.5 pt -57.62 -26.86 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 54.310000000000002 109.292 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.11 -39.63 68.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 75.230000000000004 109.239 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.16 -58.14 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 61.399999999999999 109.268 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.782 HD13 ' HA ' ' B' ' 2' ' ' ILE . 0.5 OUTLIER -58.78 -41.96 87.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 33.32 109.309 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.48 -38.14 71.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 71.239999999999995 110.266 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.87 -25.76 62.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 71.209999999999994 109.248 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.599 ' O ' HD22 ' A' ' 12' ' ' LEU . 2.7 tt0 -67.25 -42.46 83.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 75.030000000000001 110.343 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.539 HG22 HG23 ' B' ' 9' ' ' ILE . 0.7 OUTLIER -65.98 -30.62 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.118 . . . . 71.420000000000002 109.244 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.406 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -63.61 -26.16 68.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 75.519999999999996 109.253 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.77 -37.86 62.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 64.549999999999997 109.329 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.599 HD22 ' O ' ' A' ' 8' ' ' GLU . 2.1 mm? -82.82 -20.84 34.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 74.510000000000005 109.275 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -36.91 70.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 42.340000000000003 110.349 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.518 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -76.37 -29.02 56.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 72.340000000000003 109.218 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.18 -54.67 16.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 73.019999999999996 110.342 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.523 ' HA ' HD23 ' A' ' 19' ' ' LEU . 2.3 pp -60.93 -26.58 39.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 71.430000000000007 109.283 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 14' ' ' LYS . . . -51.94 -37.83 54.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 72.099999999999994 109.283 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.51 -51.75 26.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 73.040000000000006 109.313 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -54.62 -27.2 37.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 72.129999999999995 109.333 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.19 -58.6 3.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 73.25 110.322 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mttm . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 53.25 109.277 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' LYS . . . . . 0.511 ' O ' HD22 ' B' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.275 -0.639 . . . . 73.409999999999997 109.275 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 2' ' ' ILE . . . . . 0.782 ' HA ' HD13 ' A' ' 5' ' ' LEU . 34.2 pt -52.35 -39.45 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 72.219999999999999 109.312 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.417 ' N ' HG13 ' B' ' 2' ' ' ILE . . . -71.85 -28.52 63.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 51.009999999999998 109.264 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' B' ' 1' ' ' LYS . . . -64.35 -56.16 16.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 71.340000000000003 109.301 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.511 HD22 ' O ' ' B' ' 1' ' ' LYS . 1.8 mm? -54.13 -35.39 62.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 70.420000000000002 109.256 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -31.94 50.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 72.030000000000001 109.321 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -78.32 -31.64 48.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 73.319999999999993 110.281 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.826 ' O ' HD22 ' B' ' 12' ' ' LEU . 2.5 mmmt -69.67 -54.9 11.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.535 1.147 . . . . 73.540000000000006 109.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.539 HG23 HG22 ' A' ' 9' ' ' ILE . 2.5 pp -56.14 -39.26 57.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 72.010000000000005 109.303 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.25 -29.53 66.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.592 1.182 . . . . 75.120000000000005 109.289 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -62.22 -65.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.413 1.071 . . . . 44.409999999999997 109.28 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.826 HD22 ' O ' ' B' ' 8' ' ' LYS . 0.9 OUTLIER -53.83 -37.38 63.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 61.210000000000001 109.259 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -51.97 -31.47 29.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 65.409999999999997 109.295 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.29 -31.85 38.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 72.219999999999999 110.275 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.469 ' O ' ' HB3' ' B' ' 18' ' ' ALA . 2.3 mmtt -68.21 -54.71 15.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 62.229999999999997 109.267 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -38.91 76.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 70.519999999999996 109.258 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.03 -31.41 29.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.5 1.125 . . . . 64.519999999999996 109.304 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' B' ' 15' ' ' LYS . . . -63.96 -59.67 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 73.019999999999996 109.329 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.437 ' O ' HD22 ' B' ' 19' ' ' LEU . 2.2 tm? -53.61 -33.91 56.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 63.210000000000001 109.276 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -64.29 -44.24 92.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 75.150000000000006 109.29 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 73.209999999999994 110.327 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.628 ' N ' HG21 ' B' ' 2' ' ' ILE . 10.0 mm-40 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.363 -0.236 . . . . 71.430000000000007 110.363 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.768 HG22 HD11 ' B' ' 5' ' ' LEU . 13.9 pt -92.07 -25.73 5.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 52.420000000000002 109.325 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.38 -22.97 67.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.145 . . . . 43.420000000000002 109.366 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.02 -33.5 68.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.413 1.07 . . . . 52.020000000000003 109.248 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.764 ' O ' HG23 ' A' ' 9' ' ' ILE . 5.1 tp -64.82 -31.72 73.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 74.299999999999997 109.289 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -46.85 67.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 74.319999999999993 110.282 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -27.73 61.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 63.329999999999998 109.336 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.547 ' OE1' HG21 ' B' ' 9' ' ' ILE . 9.0 mm-40 -70.62 -52.18 23.06 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.504 1.128 . . . . 74.129999999999995 110.293 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.764 HG23 ' O ' ' A' ' 5' ' ' LEU . 35.9 pt -57.01 -32.5 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 72.340000000000003 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.56 -26.91 46.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 75.150000000000006 109.366 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 14' ' ' LYS . . . -72.29 -47.6 48.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 62.43 109.228 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.79 HD13 ' N ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -43.61 -38.87 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 74.530000000000001 109.316 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.79 ' N ' HD13 ' A' ' 12' ' ' LEU . 20.1 tt0 -68.02 -44.54 76.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 74.340000000000003 110.3 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' ALA . 1.4 tttt -65.99 -25.56 67.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 73.099999999999994 109.28 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -70.85 -51.55 25.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 74.120000000000005 110.272 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 12' ' ' LEU . 0.8 OUTLIER -68.31 -26.61 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 71.409999999999997 109.285 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.66 -27.75 12.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 72.230000000000004 109.293 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.26 -43.4 23.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 71.340000000000003 109.334 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.842 ' HG ' HD13 ' B' ' 19' ' ' LEU . 0.1 OUTLIER -54.5 -45.98 73.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 60.420000000000002 109.289 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.753 ' N ' HD13 ' A' ' 19' ' ' LEU . 3.4 tt0 -71.55 -46.72 58.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 74.439999999999998 110.392 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 70.439999999999998 109.291 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.318 -0.623 . . . . 73.319999999999993 109.318 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' ILE . . . . . 0.628 HG21 ' N ' ' A' ' 1' ' ' GLU . 1.3 mt -115.88 -50.99 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 72.209999999999994 109.275 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.99 -29.4 65.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 64.420000000000002 109.248 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.85 -28.66 66.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.183 . . . . 73.0 109.313 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.768 HD11 HG22 ' A' ' 2' ' ' ILE . 13.1 mt -74.85 -34.4 62.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 63.439999999999998 109.29 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.722 ' HA ' HD12 ' B' ' 9' ' ' ILE . 25.1 tptt -55.47 -50.38 70.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 63.32 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -58.08 -33.71 69.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 54.520000000000003 110.316 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.509 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 4.0 tttt -58.11 -51.36 70.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 74.120000000000005 109.319 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.779 HG22 ' HD2' ' B' ' 13' ' ' LYS . 4.6 mt -53.89 -41.48 49.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 75.140000000000001 109.323 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.51 -26.2 65.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.59 1.182 . . . . 71.129999999999995 109.326 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -69.34 -40.01 77.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 62.310000000000002 109.315 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' B' ' 9' ' ' ILE . 0.7 OUTLIER -77.38 -39.85 45.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 74.310000000000002 109.281 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.779 ' HD2' HG22 ' B' ' 9' ' ' ILE . 2.4 mttt -57.21 -35.92 70.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 74.25 109.304 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.528 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 0.5 OUTLIER -66.86 -35.86 81.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 72.120000000000005 110.361 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -59.51 -50.61 73.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 54.340000000000003 109.313 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.641 HG12 HD12 ' B' ' 19' ' ' LEU . 0.0 OUTLIER -67.43 -31.03 50.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 74.430000000000007 109.352 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' B' ' 14' ' ' GLU . . . -51.65 -25.98 8.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 71.209999999999994 109.265 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.02 -33.3 33.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 61.229999999999997 109.261 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.842 HD13 ' HG ' ' A' ' 19' ' ' LEU . 17.2 mt -70.26 -44.51 68.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 64.420000000000002 109.333 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.449 ' CG ' ' HA ' ' B' ' 17' ' ' ALA . 0.0 OUTLIER -71.33 -30.34 66.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 74.420000000000002 109.276 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 63.140000000000001 110.261 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.343 -0.243 . . . . 62.530000000000001 110.343 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.9 mm -80.06 -27.93 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 72.129999999999995 109.27 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.66 -24.78 56.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 53.020000000000003 109.272 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.77 -44.38 90.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 73.549999999999997 109.344 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 mt -64.65 -31.91 73.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 73.219999999999999 109.254 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -39.27 70.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 54.020000000000003 110.287 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.557 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -74.49 -26.48 60.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 64.140000000000001 109.325 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.58 -49.75 76.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 74.219999999999999 110.344 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.448 HG23 HG22 ' B' ' 9' ' ' ILE . 1.0 OUTLIER -56.06 -27.84 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 64.230000000000004 109.293 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . -70.48 -33.63 71.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 73.230000000000004 109.29 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.54 -60.56 2.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 72.019999999999996 109.334 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.617 HD23 ' O ' ' B' ' 9' ' ' ILE . 2.0 mp -47.9 -46.67 31.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 71.239999999999995 109.323 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -57.45 -35.03 69.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 63.43 110.243 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.542 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -69.08 -37.7 78.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 72.340000000000003 109.302 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -58.56 -53.9 53.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 71.299999999999997 110.324 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.518 ' CD1' HD23 ' A' ' 19' ' ' LEU . 8.3 tp -64.5 -27.38 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 73.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 14' ' ' LYS . . . -59.65 -32.19 70.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 74.409999999999997 109.321 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.55 -33.22 64.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 74.209999999999994 109.286 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.518 HD23 ' CD1' ' A' ' 16' ' ' ILE . 4.7 tp -65.65 -60.72 2.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 75.400000000000006 109.297 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -52.33 -55.95 18.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 74.109999999999999 110.303 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 61.020000000000003 109.245 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.315 -0.624 . . . . 75.340000000000003 109.315 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 pt -99.92 -36.93 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 73.540000000000006 109.26 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.95 -32.6 67.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 73.340000000000003 109.294 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.53 -58.48 4.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 71.310000000000002 109.231 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.456 ' O ' HG23 ' B' ' 9' ' ' ILE . 0.9 OUTLIER -62.47 -32.99 73.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 72.400000000000006 109.291 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -63.93 -31.58 72.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 74.430000000000007 109.25 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -77.76 -31.21 51.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 62.420000000000002 110.261 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.587 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 17.8 mttp -71.98 -54.28 10.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 73.540000000000006 109.309 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.617 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.9 pp -56.88 -37.26 53.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 75.099999999999994 109.307 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.78 -23.09 62.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 65.019999999999996 109.341 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -65.12 -52.02 57.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 64.319999999999993 109.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.528 HD22 ' N ' ' B' ' 12' ' ' LEU . 2.6 mm? -70.56 -30.97 67.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 64.030000000000001 109.321 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.655 ' O ' ' HB2' ' B' ' 17' ' ' ALA . 0.0 OUTLIER -54.97 -30.58 59.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 75.140000000000001 109.362 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.53 -28.18 51.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 74.310000000000002 110.343 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.447 ' C ' HD13 ' A' ' 16' ' ' ILE . 1.2 mtpp -73.77 -50.5 20.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 75.219999999999999 109.309 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.408 HG13 ' N ' ' B' ' 17' ' ' ALA . 1.2 pp -70.57 -32.07 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.404 1.065 . . . . 74.549999999999997 109.345 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' B' ' 13' ' ' LYS . . . -47.94 -36.4 12.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 72.340000000000003 109.287 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -47.99 60.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 70.409999999999997 109.362 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.44 ' HB2' HD22 ' A' ' 19' ' ' LEU . 1.5 tm? -52.62 -51.91 57.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 50.130000000000003 109.322 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -51.38 -50.08 60.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 74.140000000000001 109.275 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 74.019999999999996 110.289 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.338 -0.245 . . . . 52.409999999999997 110.338 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.0 mt -75.73 -54.4 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 54.009999999999998 109.281 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.94 -33.92 65.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 72.340000000000003 109.318 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.07 -29.61 69.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 53.219999999999999 109.287 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.884 HD13 ' HB2' ' B' ' 5' ' ' LEU . 0.2 OUTLIER -61.51 -36.19 79.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 62.200000000000003 109.216 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -68.61 -39.24 80.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 71.129999999999995 110.303 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -25.64 59.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 73.209999999999994 109.248 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -75.54 -54.51 6.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 64.329999999999998 110.295 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.427 HD12 ' N ' ' A' ' 10' ' ' ALA . 2.7 pp -57.5 -34.97 48.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 74.129999999999995 109.296 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.427 ' N ' HD12 ' A' ' 9' ' ' ILE . . . -65.8 -38.33 88.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.567 1.167 . . . . 74.349999999999994 109.302 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 8' ' ' GLU . . . -54.71 -64.97 0.66 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.141 . . . . 74.510000000000005 109.339 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 12' ' ' LEU . 2.6 mm? -54.04 -42.85 69.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 63.210000000000001 109.294 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 10.4 tt0 -57.65 -35.72 70.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 63.240000000000002 110.297 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.49 -27.16 64.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 52.219999999999999 109.292 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -77.23 -49.0 16.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 71.510000000000005 110.329 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.515 ' C ' HD12 ' A' ' 16' ' ' ILE . 1.5 pp -70.38 -27.6 32.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.422 1.077 . . . . 75.239999999999995 109.338 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 13' ' ' GLU . . . -60.95 -31.96 71.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 73.420000000000002 109.294 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.23 -29.43 62.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 51.130000000000003 109.33 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.851 HD13 ' HB2' ' B' ' 19' ' ' LEU . 6.7 tp -67.24 -58.54 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 71.540000000000006 109.248 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -53.06 -56.42 16.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 75.099999999999994 110.319 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 75.129999999999995 109.293 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 1' ' ' LYS . . . . . 0.428 ' O ' ' HB3' ' B' ' 4' ' ' ALA . 2.1 tptt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.341 -0.615 . . . . 70.319999999999993 109.341 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' ILE . . . . . 0.542 ' HA ' HD23 ' B' ' 5' ' ' LEU . 1.3 pt -52.87 -37.46 25.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 71.340000000000003 109.326 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.52 -30.04 71.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 53.450000000000003 109.23 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' B' ' 1' ' ' LYS . . . -73.25 -29.03 62.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 73.439999999999998 109.24 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.884 ' HB2' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -69.51 -32.44 71.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 74.099999999999994 109.312 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -63.71 -36.61 84.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 65.040000000000006 109.333 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.43 -32.03 48.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 53.329999999999998 110.245 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.566 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 15.7 mttt -66.64 -54.88 18.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 64.049999999999997 109.311 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.681 ' HA ' HD12 ' B' ' 12' ' ' LEU . 2.8 pp -55.1 -44.98 76.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 54.049999999999997 109.335 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.676 ' N ' HD12 ' B' ' 9' ' ' ILE . . . -60.35 -27.36 67.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 70.439999999999998 109.33 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -70.86 -52.89 17.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 73.209999999999994 109.276 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' B' ' 9' ' ' ILE . 0.3 OUTLIER -64.44 -29.77 70.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 65.030000000000001 109.279 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -71.67 -35.13 70.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 72.420000000000002 109.293 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -29.79 63.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 72.049999999999997 110.369 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.35 -54.67 6.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 74.150000000000006 109.239 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.549 ' CD1' HD23 ' B' ' 19' ' ' LEU . 0.3 OUTLIER -57.1 -34.08 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 63.420000000000002 109.32 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.44 -33.59 59.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 44.109999999999999 109.279 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.74 -49.12 67.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 62.030000000000001 109.312 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.851 ' HB2' HD13 ' A' ' 19' ' ' LEU . 3.7 tp -58.65 -44.71 90.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 44.509999999999998 109.264 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -44.15 71.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 74.25 109.297 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 74.209999999999994 110.329 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.364 -0.236 . . . . 73.510000000000005 110.364 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp -63.08 -23.32 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 75.530000000000001 109.242 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.94 -28.77 63.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 73.209999999999994 109.258 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.14 -41.81 57.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 72.540000000000006 109.264 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.403 ' CD2' HG23 ' B' ' 2' ' ' ILE . 2.7 mm? -70.57 -41.39 72.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 74.340000000000003 109.296 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -61.44 -31.76 71.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 75.230000000000004 110.274 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -69.59 -32.87 71.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.085 . . . . 72.230000000000004 109.225 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.625 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.7 mt-10 -65.44 -30.06 70.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.485 1.116 . . . . 70.209999999999994 110.337 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.7 mt -56.47 -50.53 72.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 72.5 109.318 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.79 -26.44 67.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 60.340000000000003 109.329 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 8' ' ' GLU . . . -66.25 -61.76 1.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 72.299999999999997 109.313 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.569 HD22 ' O ' ' A' ' 8' ' ' GLU . 2.4 mm? -59.17 -30.77 68.42 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.509 1.131 . . . . 52.329999999999998 109.245 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.14 -35.35 76.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 71.109999999999999 110.301 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -70.16 -26.46 63.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 75.450000000000003 109.276 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.596 ' CD ' HD21 ' B' ' 19' ' ' LEU . 0.9 OUTLIER -64.18 -52.48 58.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 72.329999999999998 110.311 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.5 pt -69.11 -27.68 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 62.140000000000001 109.268 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.36 -32.15 69.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 71.439999999999998 109.305 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.49 -46.29 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 61.030000000000001 109.304 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.492 HD13 ' C ' ' A' ' 19' ' ' LEU . 1.8 tm? -56.39 -58.61 7.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 72.030000000000001 109.239 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.444 ' N ' HD13 ' A' ' 19' ' ' LEU . 19.1 tt0 -53.78 -41.02 66.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 64.329999999999998 110.294 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 tptt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 74.200000000000003 109.296 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' LYS . . . . . 0.476 ' O ' HD22 ' B' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.2 -0.666 . . . . 70.200000000000003 109.2 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 2' ' ' ILE . . . . . 0.403 HG23 ' CD2' ' A' ' 5' ' ' LEU . 47.4 mt -50.75 -32.08 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 45.200000000000003 109.287 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.29 -33.54 73.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 70.329999999999998 109.307 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' B' ' 1' ' ' LYS . . . -62.89 -42.97 99.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 43.240000000000002 109.321 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.478 ' H ' HD22 ' B' ' 5' ' ' LEU . 2.4 mm? -72.42 -43.81 63.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 72.549999999999997 109.335 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -53.03 -41.48 64.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 52.229999999999997 109.271 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -38.46 80.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 73.329999999999998 110.284 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.413 ' O ' HD22 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -54.3 -52.74 60.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 44.149999999999999 109.318 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.454 HG21 ' HB2' ' A' ' 8' ' ' GLU . 45.6 pt -63.73 -31.49 53.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.172 . . . . 74.430000000000007 109.309 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.11 -26.01 65.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 71.420000000000002 109.316 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.81 -51.67 31.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 109.232 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.413 HD22 ' O ' ' B' ' 8' ' ' LYS . 1.2 mm? -67.07 -34.32 77.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 71.519999999999996 109.324 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.55 -30.09 19.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 74.010000000000005 109.287 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -76.77 -30.29 56.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 72.239999999999995 110.334 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -74.89 -54.28 7.54 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.526 1.141 . . . . 62.100000000000001 109.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 pp -57.89 -32.2 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 75.329999999999998 109.308 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.22 -27.69 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.397 1.061 . . . . 74.109999999999999 109.281 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.68 -51.55 7.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 55.409999999999997 109.322 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.596 HD21 ' CD ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -53.4 -29.72 36.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 71.150000000000006 109.289 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -68.99 -48.46 63.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 74.019999999999996 109.289 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 63.149999999999999 110.293 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.319 -0.252 . . . . 64.209999999999994 110.319 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.719 ' O ' HD12 ' A' ' 5' ' ' LEU . 32.7 pt -80.82 -20.75 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 73.319999999999993 109.274 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.29 -22.06 64.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 55.219999999999999 109.308 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.09 -20.62 64.22 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 45.140000000000001 109.3 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.851 HD13 ' N ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -53.65 -30.88 45.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 72.310000000000002 109.275 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.851 ' N ' HD13 ' A' ' 5' ' ' LEU . 1.8 mt-10 -49.96 -32.16 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 74.230000000000004 110.319 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.94 -41.11 71.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 75.420000000000002 109.263 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.552 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.8 mt-10 -60.35 -29.82 69.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 64.329999999999998 110.351 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.57 HD11 HD23 ' A' ' 5' ' ' LEU . 9.2 mm -64.05 -48.22 86.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 71.230000000000004 109.33 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.13 -26.04 65.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 73.450000000000003 109.271 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 8' ' ' GLU . . . -53.97 -56.25 19.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 50.420000000000002 109.306 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.29 -37.67 66.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.106 . . . . 73.049999999999997 109.309 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.638 ' HA ' HD22 ' B' ' 12' ' ' LEU . 2.9 tt0 -52.62 -38.17 59.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 72.129999999999995 110.311 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.498 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -72.6 -32.13 65.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 71.099999999999994 109.279 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.72 -51.24 63.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 65.219999999999999 110.338 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.412 HG21 ' HB3' ' B' ' 15' ' ' LYS . 4.5 pt -65.02 -28.87 45.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 63.340000000000003 109.264 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 14' ' ' LYS . . . -52.71 -27.93 19.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 62.5 109.324 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.16 -47.89 32.87 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.09 . . . . 73.109999999999999 109.289 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 tp -54.2 -52.11 62.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 72.140000000000001 109.266 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -53.2 -58.12 8.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 72.219999999999999 110.298 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 75.439999999999998 109.262 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.314 -0.624 . . . . 71.420000000000002 109.314 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -45.89 -38.21 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 75.319999999999993 109.315 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.99 -41.76 67.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.171 . . . . 72.329999999999998 109.29 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.18 -61.8 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 61.229999999999997 109.312 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.679 ' HB2' HD23 ' A' ' 5' ' ' LEU . 1.8 pp -54.17 -34.1 59.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 64.129999999999995 109.317 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -63.66 -36.34 83.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 55.130000000000003 109.285 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -77.92 -32.27 51.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 72.400000000000006 110.315 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -48.69 78.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 73.5 109.256 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.407 HG13 ' N ' ' B' ' 10' ' ' ALA . 1.1 pt -71.74 -31.06 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 63.539999999999999 109.312 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.407 ' N ' HG13 ' B' ' 9' ' ' ILE . . . -51.68 -32.79 31.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 62.329999999999998 109.257 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.92 -61.8 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 62.399999999999999 109.315 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.638 HD22 ' HA ' ' A' ' 13' ' ' GLU . 4.0 mt -55.96 -29.8 60.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 72.120000000000005 109.307 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' B' ' 17' ' ' ALA . 12.5 ttmt -64.86 -38.39 90.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 62.43 109.322 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.84 -29.73 62.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 71.530000000000001 110.282 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.412 ' HB3' HG21 ' A' ' 16' ' ' ILE . 4.7 tptt -67.51 -53.14 31.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 64.340000000000003 109.308 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -68.1 -31.67 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 74.519999999999996 109.281 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' B' ' 13' ' ' LYS . . . -49.93 -27.02 4.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 41.340000000000003 109.214 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.52 -34.23 35.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 72.450000000000003 109.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' B' ' 16' ' ' ILE . 16.8 tp -65.01 -50.9 64.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 53.109999999999999 109.287 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.41 -52.99 41.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 74.430000000000007 109.31 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 55.32 110.324 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.341 -0.244 . . . . 43.049999999999997 110.341 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 pp -101.73 -32.77 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 75.219999999999999 109.337 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.0 -22.19 65.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 62.310000000000002 109.322 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.7 -50.06 47.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 73.239999999999995 109.3 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 5' ' ' LEU . 3.3 mm? -61.78 -38.12 86.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 74.150000000000006 109.294 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.583 ' HG3' HD12 ' B' ' 5' ' ' LEU . 3.4 tt0 -59.72 -45.37 92.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 74.099999999999994 110.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.39 -25.5 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.627 1.204 . . . . 74.430000000000007 109.26 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.39 -40.52 64.25 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 71.530000000000001 110.313 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 0.8 OUTLIER -58.26 -25.52 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 72.129999999999995 109.346 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.31 -34.45 75.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 75.109999999999999 109.27 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.01 98.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 74.5 109.282 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.436 ' CD2' HG23 ' B' ' 9' ' ' ILE . 3.3 mm? -70.86 -25.81 62.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 51.439999999999998 109.261 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.667 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -65.82 -36.48 83.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 70.230000000000004 110.185 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -69.09 -27.09 65.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 74.329999999999998 109.26 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.493 ' HB3' HG21 ' B' ' 16' ' ' ILE . 0.4 OUTLIER -70.3 -26.75 63.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 63.109999999999999 110.342 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' A' ' 13' ' ' GLU . 38.2 mt -67.16 -31.08 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 64.109999999999999 109.314 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.86 -39.99 76.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 32.409999999999997 109.271 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.94 -43.27 8.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.183 . . . . 72.340000000000003 109.323 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.875 HD22 HD13 ' B' ' 19' ' ' LEU . 4.5 tp -53.32 -63.02 1.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.073 . . . . 75.299999999999997 109.381 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.61 -59.17 4.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.542 1.151 . . . . 61.549999999999997 110.354 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 73.340000000000003 109.249 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.313 -0.625 . . . . 71.519999999999996 109.313 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 2.0 pp -112.53 -34.0 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 73.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.29 -25.21 62.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 73.140000000000001 109.321 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.34 -59.09 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 72.120000000000005 109.215 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.583 HD12 ' HG3' ' A' ' 6' ' ' GLU . 2.9 mm? -56.14 -39.03 71.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 72.109999999999999 109.307 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.767 ' HA ' HD12 ' B' ' 9' ' ' ILE . 6.2 mttt -50.84 -44.91 59.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 73.430000000000007 109.299 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.26 -31.55 71.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 75.319999999999993 110.287 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.652 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 9.5 ttmt -66.11 -33.39 75.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 43.439999999999998 109.267 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.767 HD12 ' HA ' ' B' ' 6' ' ' LYS . 39.6 mt -62.6 -49.05 85.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 74.430000000000007 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.32 -23.53 65.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 72.530000000000001 109.294 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -61.7 -66.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 73.400000000000006 109.29 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.535 HD12 HD11 ' A' ' 16' ' ' ILE . 3.2 mm? -59.61 -29.71 68.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 73.519999999999996 109.279 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 19.9 tttm -65.26 -34.05 77.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 72.450000000000003 109.261 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.49 -36.99 28.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 71.030000000000001 110.327 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -63.23 -54.18 41.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 60.030000000000001 109.284 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.493 HG21 ' HB3' ' A' ' 15' ' ' GLU . 2.1 pp -55.24 -33.6 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 73.109999999999999 109.244 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.6 -35.9 82.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 63.219999999999999 109.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.92 -33.58 76.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.126 . . . . 53.409999999999997 109.319 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.875 HD13 HD22 ' A' ' 19' ' ' LEU . 12.3 mt -75.91 -36.15 59.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 73.510000000000005 109.324 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -52.63 60.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 72.439999999999998 109.355 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 74.140000000000001 110.289 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.326 -0.25 . . . . 74.109999999999999 110.326 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.4 pt -123.22 -44.92 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 72.510000000000005 109.345 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.92 -24.23 50.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 63.210000000000001 109.305 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.27 -28.95 38.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 63.43 109.29 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.754 ' C ' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -58.18 -43.27 87.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 74.549999999999997 109.309 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 6.3 mt-10 -75.07 -35.92 61.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 75.299999999999997 110.312 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -68.52 -26.15 65.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 75.319999999999993 109.325 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.91 -52.9 8.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 65.109999999999999 110.305 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 pt -69.43 -25.23 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 70.430000000000007 109.362 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -50.48 -28.81 9.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 71.200000000000003 109.328 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 14' ' ' LYS . . . -64.4 -38.52 91.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 64.230000000000004 109.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.568 HD23 HG23 ' B' ' 16' ' ' ILE . 3.0 tm? -44.41 -49.61 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 64.109999999999999 109.291 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -54.02 -38.07 64.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 63.240000000000002 110.306 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -75.15 -26.95 59.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 72.150000000000006 109.309 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.87 -52.22 21.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.079 . . . . 64.319999999999993 110.343 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.4 pt -64.72 -32.64 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 64.319999999999993 109.323 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.61 -27.3 38.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 63.439999999999998 109.305 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.77 -45.51 14.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 55.340000000000003 109.326 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.475 HD22 ' HB2' ' B' ' 19' ' ' LEU . 1.4 tp -53.94 -55.0 31.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 65.049999999999997 109.301 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -60.85 -51.14 70.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 74.519999999999996 110.306 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.4 tttt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 75.25 109.255 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.268 -0.642 . . . . 63.149999999999999 109.268 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 pt -106.89 -28.35 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.497 1.123 . . . . 64.430000000000007 109.344 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.27 -31.91 73.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 71.129999999999995 109.332 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.87 -20.86 38.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 72.219999999999999 109.309 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.914 HD13 ' N ' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -67.82 -39.12 83.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 54.310000000000002 109.281 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.914 ' N ' HD13 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -74.76 -44.57 49.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 74.439999999999998 109.377 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' B' ' 10' ' ' ALA . 1.8 mt-10 -54.37 -49.37 69.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 75.409999999999997 110.335 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.83 -51.43 69.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 51.240000000000002 109.331 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.494 HG23 HD23 ' B' ' 12' ' ' LEU . 7.8 mm -57.62 -31.05 38.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.157 . . . . 52.229999999999997 109.269 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' B' ' 7' ' ' GLU . . . -68.11 -36.55 79.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 73.450000000000003 109.286 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.32 -33.19 72.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 74.200000000000003 109.271 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.494 HD23 HG23 ' B' ' 9' ' ' ILE . 0.1 OUTLIER -65.2 -40.82 94.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 64.129999999999995 109.3 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' B' ' 17' ' ' ALA . 7.5 tttt -69.45 -33.69 73.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 63.409999999999997 109.254 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.93 -30.06 58.58 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.491 1.119 . . . . 74.129999999999995 110.268 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -75.19 -54.63 6.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 72.450000000000003 109.331 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.568 HG23 HD23 ' A' ' 12' ' ' LEU . 2.6 pp -59.63 -34.2 54.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 74.150000000000006 109.337 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' B' ' 13' ' ' LYS . . . -49.09 -43.79 41.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 52.350000000000001 109.275 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.28 -52.74 60.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 64.230000000000004 109.324 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.944 HD22 ' O ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -55.23 -43.67 74.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.168 . . . . 74.310000000000002 109.3 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.429 ' N ' HD13 ' B' ' 19' ' ' LEU . 0.7 OUTLIER -57.11 -49.3 76.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 74.430000000000007 109.324 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 64.200000000000003 110.332 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.283 -0.266 . . . . 43.049999999999997 110.283 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.469 ' O ' HD12 ' A' ' 5' ' ' LEU . 45.1 pt -88.85 -22.29 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 73.310000000000002 109.321 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.02 -23.57 64.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 61.409999999999997 109.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.61 -21.05 24.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 64.25 109.262 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.894 HD13 ' N ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -54.67 -31.95 58.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 72.420000000000002 109.224 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.894 ' N ' HD13 ' A' ' 5' ' ' LEU . 2.2 tt0 -70.79 -33.3 70.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 73.030000000000001 110.262 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -73.68 -36.92 65.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 54.149999999999999 109.244 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.1 mt-10 -65.51 -54.84 22.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 62.43 110.304 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.798 HG23 HD11 ' B' ' 12' ' ' LEU . 85.6 mt -54.6 -39.19 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 73.140000000000001 109.301 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.82 -26.18 65.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 72.150000000000006 109.28 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 8' ' ' GLU . . . -71.49 -50.24 33.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 61.409999999999997 109.325 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -47.29 78.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 73.519999999999996 109.224 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.959 ' HA ' HD12 ' A' ' 16' ' ' ILE . 11.5 tt0 -56.25 -50.57 70.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 74.030000000000001 110.323 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -52.84 -25.27 10.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 74.310000000000002 109.265 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 2.8 tt0 -79.37 -39.71 31.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.416 1.073 . . . . 73.430000000000007 110.286 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.959 HD12 ' HA ' ' A' ' 13' ' ' GLU . 4.7 mt -67.47 -52.97 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 71.049999999999997 109.267 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.17 -27.95 9.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 73.219999999999999 109.244 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 15' ' ' GLU . . . -69.31 -46.04 68.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 72.430000000000007 109.267 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.752 ' C ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.53 -32.01 73.34 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.544 1.153 . . . . 70.120000000000005 109.251 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.416 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -70.09 -58.52 3.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 75.129999999999995 110.324 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 74.319999999999993 109.291 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.314 -0.624 . . . . 65.450000000000003 109.314 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 21.6 pt -73.87 -37.9 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 75.430000000000007 109.259 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.46 -27.77 64.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 54.5 109.344 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.42 -62.68 1.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 73.519999999999996 109.278 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.885 HD22 ' CB ' ' A' ' 5' ' ' LEU . 3.6 pp -58.11 -33.46 69.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 75.150000000000006 109.319 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -32.5 74.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 52.210000000000001 109.273 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.516 ' O ' ' HB3' ' B' ' 10' ' ' ALA . 23.1 tt0 -78.35 -46.85 19.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.401 1.063 . . . . 63.109999999999999 110.254 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -55.41 -54.83 38.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 55.140000000000001 109.326 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.446 ' CG1' ' O ' ' B' ' 5' ' ' LEU . 1.6 pp -56.12 -30.99 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 63.439999999999998 109.296 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' B' ' 7' ' ' GLU . . . -68.04 -36.53 80.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 74.409999999999997 109.248 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.39 -44.35 87.79 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.578 1.173 . . . . 74.109999999999999 109.253 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.798 HD11 HG23 ' A' ' 9' ' ' ILE . 5.3 mt -72.43 -32.7 66.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 60.399999999999999 109.353 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -69.95 -29.09 66.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 50.100000000000001 109.305 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -80.99 -29.56 35.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 72.140000000000001 110.323 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -75.02 -46.78 32.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 71.310000000000002 109.315 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.583 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.0 pp -64.3 -30.96 51.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 54.439999999999998 109.264 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.12 -24.89 1.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 72.349999999999994 109.273 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.05 -41.98 24.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 74.219999999999999 109.243 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.909 HD22 ' O ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -62.55 -47.73 82.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 75.5 109.333 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -52.21 -46.23 65.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 71.430000000000007 109.282 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 72.230000000000004 110.342 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.476 ' N ' ' HB3' ' A' ' 4' ' ' ALA . 12.5 mt-10 . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.323 -0.251 . . . . 73.030000000000001 110.323 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 86.6 mt -128.82 -62.35 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 75.040000000000006 109.249 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.4 -22.77 57.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 23.350000000000001 109.323 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.476 ' HB3' ' N ' ' A' ' 1' ' ' GLU . . . -75.1 -22.87 57.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 72.230000000000004 109.248 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.838 ' HG ' HD13 ' B' ' 5' ' ' LEU . 0.2 OUTLIER -55.52 -32.82 63.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 52.149999999999999 109.281 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -67.55 -31.32 71.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 73.239999999999995 110.3 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.62 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -74.75 -47.81 29.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 75.310000000000002 109.33 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -59.23 -53.69 55.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 72.120000000000005 110.337 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.543 HG23 ' O ' ' A' ' 5' ' ' LEU . 2.2 pp -58.26 -31.03 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 61.32 109.334 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . -55.55 -28.04 52.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 42.549999999999997 109.328 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.81 -34.77 78.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 54.299999999999997 109.329 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.769 ' HG ' HD13 ' B' ' 12' ' ' LEU . 1.7 mm? -70.19 -45.57 66.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 62.149999999999999 109.286 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -31.65 52.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 73.150000000000006 110.288 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.609 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -76.5 -36.47 57.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 64.230000000000004 109.363 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -65.12 -52.89 52.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 71.310000000000002 110.317 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.403 HG21 ' HB3' ' B' ' 15' ' ' LYS . 2.2 pp -61.19 -26.28 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 74.219999999999999 109.324 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 14' ' ' LYS . . . -52.13 -30.49 26.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 61.520000000000003 109.31 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -39.0 76.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 62.329999999999998 109.332 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.879 HD22 ' HB2' ' B' ' 19' ' ' LEU . 7.2 tp -64.15 -54.14 38.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 64.340000000000003 109.258 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -56.55 20.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 64.319999999999993 110.303 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 71.239999999999995 109.287 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.311 -0.626 . . . . 74.540000000000006 109.311 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 37.7 pt -107.1 -33.56 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 63.520000000000003 109.33 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.5 -27.46 68.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.41 1.069 . . . . 51.439999999999998 109.353 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.01 -54.56 45.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 74.150000000000006 109.335 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.838 HD13 ' HG ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -52.84 -39.57 62.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 65.219999999999999 109.28 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.35 -40.91 92.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 63.399999999999999 109.311 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -72.54 -33.21 66.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 65.230000000000004 110.352 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -53.7 51.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 62.350000000000001 109.265 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 34.6 pt -60.68 -32.1 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 70.120000000000005 109.296 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.55 -25.09 62.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 70.150000000000006 109.369 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.38 -57.54 3.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 73.319999999999993 109.363 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.784 ' C ' HD12 ' B' ' 12' ' ' LEU . 0.4 OUTLIER -55.72 -34.41 65.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 72.439999999999998 109.279 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.465 ' N ' HD12 ' B' ' 12' ' ' LEU . 2.4 tmtt? -66.89 -31.45 72.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 53.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -78.5 -40.19 35.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 65.340000000000003 110.307 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.403 ' HB3' HG21 ' A' ' 16' ' ' ILE . 6.2 mttm -64.75 -52.55 56.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 62.310000000000002 109.31 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.541 HD12 ' N ' ' B' ' 17' ' ' ALA . 2.1 pp -59.63 -36.69 66.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 54.340000000000003 109.31 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.541 ' N ' HD12 ' B' ' 16' ' ' ILE . . . -53.65 -51.63 62.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 63.109999999999999 109.332 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.64 -63.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 62.520000000000003 109.329 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.879 ' HB2' HD22 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -52.1 -34.43 44.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 61.439999999999998 109.33 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -50.71 69.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 74.049999999999997 109.35 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 74.510000000000005 110.302 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.332 -0.248 . . . . 72.200000000000003 110.332 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -92.27 -28.4 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 73.099999999999994 109.319 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.76 -31.23 71.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 71.230000000000004 109.282 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.43 -21.89 62.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 54.32 109.36 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.741 ' C ' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -54.42 -45.09 72.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 71.540000000000006 109.305 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 4.6 tt0 -62.77 -36.25 82.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 62.210000000000001 110.308 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -26.66 61.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 73.030000000000001 109.324 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.402 ' HB3' HD11 ' B' ' 9' ' ' ILE . 0.1 OUTLIER -72.52 -51.08 21.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 61.109999999999999 110.268 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.534 HG21 ' CG ' ' B' ' 8' ' ' LYS . 2.4 pt -70.92 -31.54 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 74.420000000000002 109.378 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -60.6 -28.02 68.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 62.420000000000002 109.326 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.46 87.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 73.129999999999995 109.324 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -87.99 -21.06 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 72.150000000000006 109.323 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.507 ' N ' HD22 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -73.53 -37.03 65.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 73.209999999999994 110.288 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -26.53 60.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 75.200000000000003 109.283 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.65 -53.15 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 74.400000000000006 110.369 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.662 HG21 ' HB3' ' B' ' 15' ' ' LYS . 1.8 pp -64.4 -26.0 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 64.120000000000005 109.331 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.77 -23.62 4.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.439 1.087 . . . . 63.32 109.26 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.02 -47.76 56.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.433 1.083 . . . . 54.32 109.309 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.41 -59.54 4.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 72.209999999999994 109.266 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -52.41 -57.81 8.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.494 1.121 . . . . 72.099999999999994 110.234 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 72.430000000000007 109.33 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.331 -0.618 . . . . 74.140000000000001 109.331 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 1.2 pt -72.11 -32.09 42.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 54.149999999999999 109.34 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.21 -26.7 64.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 53.539999999999999 109.31 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.47 -39.78 27.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 73.329999999999998 109.241 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.732 HD13 ' C ' ' B' ' 5' ' ' LEU . 0.4 OUTLIER -66.4 -34.51 78.11 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.538 1.149 . . . . 70.420000000000002 109.333 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -53.67 -49.71 67.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.622 1.201 . . . . 74.239999999999995 109.329 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -77.17 -34.04 56.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 71.409999999999997 110.363 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.546 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 20.8 tptt -51.0 -41.76 59.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 75.219999999999999 109.322 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.402 HD11 ' HB3' ' A' ' 8' ' ' GLU . 4.9 mm -67.19 -43.37 88.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 64.049999999999997 109.313 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.406 ' HA ' ' CB ' ' B' ' 13' ' ' LYS . . . -59.23 -29.19 67.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 74.519999999999996 109.249 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -53.11 -54.97 27.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.442 1.089 . . . . 72.129999999999995 109.353 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.507 HD22 ' N ' ' A' ' 13' ' ' GLU . 1.5 mp -75.6 -31.9 60.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 51.409999999999997 109.278 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.568 ' HA ' HD12 ' B' ' 16' ' ' ILE . 0.1 OUTLIER -50.78 -33.88 25.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 51.020000000000003 109.343 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 2.7 tt0 -78.96 -39.91 33.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 61.25 110.291 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.662 ' HB3' HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -58.67 -39.86 81.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 70.420000000000002 109.273 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' B' ' 13' ' ' LYS . 13.5 mt -63.87 -35.62 73.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 42.43 109.293 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' B' ' 14' ' ' GLU . . . -55.9 -28.44 56.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 60.240000000000002 109.266 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' B' ' 15' ' ' LYS . . . -67.16 -57.82 6.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 71.430000000000007 109.325 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.521 HD13 ' C ' ' B' ' 19' ' ' LEU . 2.6 tm? -53.87 -50.18 66.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 70.340000000000003 109.258 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.17 -45.92 65.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 61.409999999999997 109.302 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 74.329999999999998 110.315 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.335 -0.246 . . . . 64.540000000000006 110.335 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.535 HG23 HD23 ' A' ' 5' ' ' LEU . 21.1 mt -113.36 -35.2 2.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 64.319999999999993 109.25 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.36 -23.96 67.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 53.399999999999999 109.377 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.27 -21.15 59.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 34.119999999999997 109.3 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.535 HD23 HG23 ' A' ' 2' ' ' ILE . 0.2 OUTLIER -59.23 -40.68 86.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.179 . . . . 64.310000000000002 109.323 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.21 -42.57 86.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 73.140000000000001 110.318 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -75.14 -30.04 60.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 70.209999999999994 109.33 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.542 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -64.07 -53.35 51.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 70.530000000000001 110.283 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.497 HG23 HD23 ' B' ' 5' ' ' LEU . 46.9 pt -58.79 -33.89 50.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.606 1.191 . . . . 75.219999999999999 109.333 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.29 -25.9 67.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 74.120000000000005 109.318 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 8' ' ' GLU . . . -56.37 -41.84 76.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 72.420000000000002 109.363 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.67 ' HB2' HD13 ' B' ' 12' ' ' LEU . 2.0 mm? -88.72 -31.46 18.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.164 . . . . 75.329999999999998 109.273 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.44 -39.83 70.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 71.25 110.3 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -69.79 -27.27 64.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 72.530000000000001 109.314 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.22 -49.77 26.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 73.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.4 HG22 ' HB3' ' B' ' 15' ' ' LYS . 1.2 pt -71.4 -27.94 30.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 74.530000000000001 109.298 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.92 -23.22 67.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 72.319999999999993 109.262 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.61 -50.53 10.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 51.409999999999997 109.328 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.27 -43.23 82.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 74.109999999999999 109.303 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.2 -50.42 72.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 75.200000000000003 110.295 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 74.340000000000003 109.278 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.294 -0.632 . . . . 71.299999999999997 109.294 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -47.22 -39.03 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 73.099999999999994 109.263 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.39 -41.13 94.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 73.030000000000001 109.301 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.79 -35.45 80.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 64.420000000000002 109.265 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.629 HD13 ' C ' ' B' ' 5' ' ' LEU . 0.7 OUTLIER -57.25 -51.91 67.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.591 1.182 . . . . 65.310000000000002 109.279 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.554 ' N ' HD13 ' B' ' 5' ' ' LEU . 4.5 ttpt -51.55 -35.17 39.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 73.439999999999998 109.36 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -75.69 -32.64 60.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.554 1.159 . . . . 64.409999999999997 110.257 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.401 ' HB3' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -66.48 -54.67 21.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 75.400000000000006 109.352 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 45.9 pt -63.52 -33.56 62.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 74.530000000000001 109.338 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.91 -26.94 65.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 71.319999999999993 109.334 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.63 -48.88 20.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.593 1.183 . . . . 64.310000000000002 109.346 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.67 HD13 ' HB2' ' A' ' 12' ' ' LEU . 3.0 mt -67.26 -30.16 69.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 54.109999999999999 109.276 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -57.09 -29.34 63.41 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.446 1.091 . . . . 55.340000000000003 109.345 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -76.15 -30.67 58.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 74.340000000000003 110.322 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' B' ' 18' ' ' ALA . 18.6 mttt -75.09 -54.61 6.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 74.209999999999994 109.299 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.522 HD12 ' N ' ' B' ' 17' ' ' ALA . 2.2 pp -57.43 -32.1 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 72.040000000000006 109.286 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.522 ' N ' HD12 ' B' ' 16' ' ' ILE . . . -63.8 -25.18 68.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 55.200000000000003 109.292 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' B' ' 15' ' ' LYS . . . -76.24 -51.82 11.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 14.32 109.285 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.03 -37.94 64.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 71.230000000000004 109.289 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -59.78 -50.16 74.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 72.030000000000001 109.309 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 73.0 110.366 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 110.327 -0.249 . . . . 71.239999999999995 110.327 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.581 ' O ' HD23 ' A' ' 5' ' ' LEU . 30.0 pt -89.69 -21.18 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 74.329999999999998 109.245 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.33 -30.78 67.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.409 1.068 . . . . 62.229999999999997 109.246 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.09 68.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 45.219999999999999 109.271 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 2' ' ' ILE . 0.3 OUTLIER -56.16 -32.05 63.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 72.430000000000007 109.332 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 4.7 tt0 -72.88 -37.85 67.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 64.019999999999996 110.377 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -28.71 61.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 74.040000000000006 109.367 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.18 -50.29 41.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 71.439999999999998 110.274 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.33 -35.05 60.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 65.310000000000002 109.395 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -58.33 -29.93 66.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 65.120000000000005 109.311 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.25 -61.92 2.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 54.350000000000001 109.318 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.699 HD12 HG21 ' B' ' 16' ' ' ILE . 3.0 mm? -59.05 -25.59 63.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 73.439999999999998 109.286 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -62.86 -36.5 83.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 64.420000000000002 110.288 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -70.87 -26.32 63.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 60.32 109.266 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.625 ' OE1' HD13 ' A' ' 12' ' ' LEU . 1.1 mp0 -76.34 -50.81 13.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 74.219999999999999 110.314 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.422 HD12 ' C ' ' A' ' 16' ' ' ILE . 2.1 pp -68.14 -30.28 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 72.409999999999997 109.306 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 13' ' ' GLU . . . -59.81 -24.46 64.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 75.420000000000002 109.268 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.75 -49.21 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 71.219999999999999 109.322 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.629 HD13 ' HB2' ' B' ' 19' ' ' LEU . 0.2 OUTLIER -53.51 -41.98 66.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 72.5 109.296 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -67.39 -49.07 65.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.414 1.071 . . . . 75.420000000000002 110.298 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 53.149999999999999 109.287 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.263 -0.643 . . . . 73.5 109.263 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 5.8 pt -74.55 -37.58 44.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 75.219999999999999 109.281 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.02 85.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 75.200000000000003 109.294 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.18 -39.46 68.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 71.040000000000006 109.345 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.765 ' C ' HD23 ' B' ' 5' ' ' LEU . 0.2 OUTLIER -57.6 -34.3 69.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 74.409999999999997 109.285 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.651 ' N ' HD23 ' B' ' 5' ' ' LEU . 1.8 tttt -64.18 -47.43 79.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.484 1.115 . . . . 74.109999999999999 109.292 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.98 -33.22 75.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 75.239999999999995 110.275 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.444 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 1.2 mptt -61.38 -54.85 38.31 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.608 1.193 . . . . 75.099999999999994 109.268 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.422 ' HA ' HD12 ' B' ' 12' ' ' LEU . 20.2 pt -61.03 -32.9 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 71.510000000000005 109.323 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.72 -23.54 62.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 75.109999999999999 109.279 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -72.55 -48.67 38.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 54.240000000000002 109.253 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' B' ' 9' ' ' ILE . 0.3 OUTLIER -74.46 -30.04 61.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 72.209999999999994 109.246 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -59.5 -28.97 67.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 73.219999999999999 109.25 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 0.7 OUTLIER -76.52 -37.95 55.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 70.129999999999995 110.227 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -54.59 22.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 64.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.699 HG21 HD12 ' A' ' 12' ' ' LEU . 2.2 pp -55.18 -32.48 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 62.140000000000001 109.255 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' B' ' 14' ' ' GLU . . . -60.12 -33.48 72.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 74.230000000000004 109.294 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.1 -57.76 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 62.109999999999999 109.258 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.629 ' HB2' HD13 ' A' ' 19' ' ' LEU . 1.5 tp -51.32 -40.33 58.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 74.129999999999995 109.34 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -52.15 66.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 62.409999999999997 109.323 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 74.209999999999994 110.296 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.491 ' O ' HD23 ' A' ' 5' ' ' LEU . 25.0 mt-10 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.304 -0.258 . . . . 62.520000000000003 110.304 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mt -72.33 -53.11 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 71.109999999999999 109.345 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.12 -21.12 59.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 62.420000000000002 109.341 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.01 -59.05 4.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 63.210000000000001 109.274 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.696 HD13 ' HB3' ' B' ' 5' ' ' LEU . 3.7 pp -61.0 -38.86 87.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 70.120000000000005 109.293 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -53.14 -35.25 59.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 72.150000000000006 110.351 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.429 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -75.09 -38.45 61.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 109.354 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -61.05 -54.49 44.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 75.129999999999995 110.322 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 pp -61.71 -25.6 37.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 75.340000000000003 109.308 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . -68.99 -25.95 64.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 60.200000000000003 109.353 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 14' ' ' LYS . . . -66.44 -35.16 79.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 62.240000000000002 109.324 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.708 HD12 ' CB ' ' B' ' 12' ' ' LEU . 5.2 tt -49.56 -37.44 27.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 62.530000000000001 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.588 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -65.2 -32.66 74.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 65.109999999999999 110.309 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -76.53 -42.96 41.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 65.030000000000001 109.331 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.41 -54.59 41.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 74.430000000000007 110.282 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.568 HG23 ' O ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -63.14 -26.14 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 75.420000000000002 109.346 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' A' ' 13' ' ' GLU . . . -70.85 -32.72 69.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 41.409999999999997 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.46 -62.19 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 74.209999999999994 109.288 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.492 ' C ' HD12 ' A' ' 19' ' ' LEU . 2.5 pp -55.54 -37.44 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 73.329999999999998 109.31 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.431 ' CB ' ' O ' ' A' ' 16' ' ' ILE . 25.1 tt0 -58.83 -52.83 64.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 71.049999999999997 110.249 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 tttm . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 71.25 109.261 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 7.2 mttt . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.273 -0.64 . . . . 72.239999999999995 109.273 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' ILE . . . . . 0.619 ' O ' HD12 ' B' ' 5' ' ' LEU . 1.1 pp -60.95 -23.34 29.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 72.430000000000007 109.331 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.26 -25.5 66.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 74.230000000000004 109.372 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.93 -21.36 20.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 72.510000000000005 109.322 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.9 HD13 ' N ' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -52.53 -33.06 43.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 71.540000000000006 109.254 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.9 ' N ' HD13 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -67.39 -35.89 80.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 44.049999999999997 109.326 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -73.66 -45.32 53.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 75.329999999999998 110.296 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 3.3 mmtt -60.59 -53.87 52.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.064 . . . . 63.039999999999999 109.346 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.418 HD13 HD22 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -62.13 -33.25 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 74.010000000000005 109.34 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' B' ' 6' ' ' LYS . . . -64.36 -25.56 68.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.355 1.034 . . . . 74.230000000000004 109.274 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -74.8 -24.31 58.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 63.530000000000001 109.364 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.81 ' O ' HG23 ' B' ' 16' ' ' ILE . 0.0 OUTLIER -74.41 -32.01 62.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 63.140000000000001 109.305 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.471 ' N ' HD23 ' B' ' 12' ' ' LEU . 21.5 mtpt -69.91 -42.59 73.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 74.409999999999997 109.312 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -74.26 -30.3 62.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 44.229999999999997 110.285 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.429 ' HB3' HG22 ' A' ' 16' ' ' ILE . 4.9 mmtt -67.13 -51.57 52.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 71.040000000000006 109.289 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.81 HG23 ' O ' ' B' ' 12' ' ' LEU . 11.3 pt -63.07 -34.66 67.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 73.329999999999998 109.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.96 -32.54 15.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 72.400000000000006 109.27 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.53 -50.41 72.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 64.430000000000007 109.375 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.451 ' O ' HD13 ' B' ' 19' ' ' LEU . 1.3 tm? -61.93 -47.75 83.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 62.039999999999999 109.256 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -47.69 60.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 74.340000000000003 109.242 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 63.439999999999998 110.245 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.377 -0.231 . . . . 74.329999999999998 110.377 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.6 pt -72.57 -29.15 29.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 62.409999999999997 109.32 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.94 -25.3 63.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 74.230000000000004 109.312 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.95 -47.6 68.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 32.340000000000003 109.277 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.9 HD13 ' N ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -59.8 -42.89 94.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 74.439999999999998 109.284 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.9 ' N ' HD13 ' A' ' 5' ' ' LEU . 3.3 tt0 -58.22 -44.81 88.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 75.209999999999994 110.349 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -33.37 73.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 73.25 109.298 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.534 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 7.8 mm-40 -63.63 -54.84 29.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 75.299999999999997 110.305 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.468 HG23 HD22 ' A' ' 5' ' ' LEU . 48.4 pt -62.7 -42.58 96.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 75.340000000000003 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.403 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -56.62 -25.67 53.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 75.439999999999998 109.346 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 8' ' ' GLU . . . -71.53 -59.47 2.74 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.451 1.094 . . . . 33.539999999999999 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.747 HD13 ' C ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -45.82 -29.8 1.46 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.549 1.156 . . . . 71.510000000000005 109.273 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.38 -42.97 74.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 63.43 110.276 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -74.08 -27.46 60.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 63.240000000000002 109.311 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -68.55 -54.35 17.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 64.120000000000005 110.311 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.575 HG23 HD22 ' A' ' 12' ' ' LEU . 15.8 pt -60.21 -26.05 35.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 74.319999999999993 109.279 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.64 -27.4 67.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 73.340000000000003 109.303 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.64 -45.25 9.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 71.299999999999997 109.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.579 ' C ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -55.75 -46.22 77.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 44.140000000000001 109.34 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -70.35 -41.19 73.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 71.420000000000002 110.35 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 54.229999999999997 109.359 179.898 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' B' ' 4' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.249 -0.648 . . . . 73.340000000000003 109.249 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 2' ' ' ILE . . . . . 0.423 ' HA ' HD12 ' B' ' 5' ' ' LEU . 3.9 mt -60.37 -44.6 96.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 74.120000000000005 109.313 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.23 -30.96 71.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 64.049999999999997 109.324 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' B' ' 1' ' ' LYS . . . -62.74 -48.89 77.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 70.120000000000005 109.313 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' B' ' 2' ' ' ILE . 0.8 OUTLIER -67.98 -32.63 73.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 70.099999999999994 109.297 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.54 ' O ' HG22 ' B' ' 9' ' ' ILE . 0.0 OUTLIER -59.95 -46.96 87.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 65.239999999999995 109.317 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.631 ' O ' ' HB3' ' B' ' 10' ' ' ALA . 1.0 OUTLIER -70.15 -46.51 64.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 74.329999999999998 110.268 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -50.94 -53.69 30.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 60.130000000000003 109.274 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.844 HD13 ' O ' ' B' ' 9' ' ' ILE . 0.1 OUTLIER -62.39 -32.92 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 60.420000000000002 109.282 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' B' ' 7' ' ' GLU . . . -55.18 -23.47 21.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 74.310000000000002 109.312 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.91 89.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 75.239999999999995 109.328 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.449 HD22 ' HG ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -77.81 -34.81 51.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 74.439999999999998 109.314 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.6 -34.45 26.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 74.409999999999997 109.298 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.44 -27.63 34.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.143 . . . . 70.510000000000005 110.289 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -67.87 -45.03 75.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 75.540000000000006 109.301 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 6.8 pt -71.23 -31.32 43.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 63.25 109.27 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.16 -28.89 8.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 62.450000000000003 109.326 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.44 -48.42 64.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 63.210000000000001 109.305 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.15 -35.59 75.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 65.430000000000007 109.42 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -51.18 58.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 71.349999999999994 109.364 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 73.319999999999993 110.24 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.268 -0.271 . . . . 61.140000000000001 110.268 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.596 ' HA ' HD12 ' A' ' 5' ' ' LEU . 1.5 pp -66.66 -21.23 28.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.506 1.129 . . . . 72.420000000000002 109.295 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.25 -21.65 59.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 52.439999999999998 109.353 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.65 -30.09 22.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 64.239999999999995 109.317 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 2' ' ' ILE . 16.7 mt -70.87 -41.19 71.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 52.200000000000003 109.264 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -74.75 -30.86 61.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 54.420000000000002 110.338 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 0.8 OUTLIER -69.46 -32.68 71.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 74.200000000000003 109.287 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.668 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.4 tt0 -68.06 -25.66 65.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 74.030000000000001 110.266 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.409 HD13 HG22 ' B' ' 9' ' ' ILE . 3.6 mm -54.14 -46.3 66.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.538 1.148 . . . . 74.439999999999998 109.335 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.43 -26.64 68.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.418 1.074 . . . . 72.129999999999995 109.319 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 8' ' ' GLU . . . -64.13 -55.35 22.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 54.439999999999998 109.311 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.509 HD11 ' HB ' ' B' ' 9' ' ' ILE . 0.8 OUTLIER -68.78 -23.13 64.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 71.230000000000004 109.372 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.91 ' O ' HG22 ' A' ' 16' ' ' ILE . 1.0 OUTLIER -72.08 -37.8 69.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 73.120000000000005 110.264 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.548 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 7.1 tttt -74.76 -34.04 62.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 62.130000000000003 109.307 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.14 -41.04 99.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 72.299999999999997 110.26 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.91 HG22 ' O ' ' A' ' 13' ' ' GLU . 7.2 tt -60.24 -25.4 33.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 71.230000000000004 109.267 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 14' ' ' LYS . . . -65.72 -24.27 66.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 75.030000000000001 109.256 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.16 -28.04 62.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 52.200000000000003 109.304 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.062 HD13 HD22 ' B' ' 19' ' ' LEU . 0.1 OUTLIER -53.56 -39.13 64.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 61.25 109.324 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' N ' ' HG ' ' A' ' 19' ' ' LEU . 4.0 tt0 -78.8 -57.42 3.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 70.409999999999997 110.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 63.439999999999998 109.294 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.444 ' O ' ' HB3' ' B' ' 4' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.296 -0.631 . . . . 70.010000000000005 109.296 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp -68.19 -35.22 70.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 62.229999999999997 109.257 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.34 -29.68 68.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 74.209999999999994 109.237 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' B' ' 1' ' ' LYS . . . -53.38 -59.26 4.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 61.219999999999999 109.295 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.18 -44.76 78.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 72.329999999999998 109.289 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.97 -28.06 9.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 73.439999999999998 109.281 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' B' ' 10' ' ' ALA . 3.3 mt-10 -78.3 -48.0 16.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 74.409999999999997 110.309 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.44 -51.71 64.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.405 1.065 . . . . 53.439999999999998 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.509 ' HB ' HD11 ' A' ' 12' ' ' LEU . 40.4 pt -61.57 -30.97 49.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 72.420000000000002 109.311 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' B' ' 7' ' ' GLU . . . -67.7 -25.66 65.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 75.319999999999993 109.267 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.58 -47.89 13.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 64.549999999999997 109.302 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.81 -29.74 70.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.185 . . . . 74.549999999999997 109.29 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -67.74 -35.4 78.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 74.140000000000001 109.261 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -81.23 -30.86 34.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 64.439999999999998 110.309 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.19 -54.23 27.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 74.540000000000006 109.344 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 pp -63.32 -35.56 72.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 51.409999999999997 109.296 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.2 -29.99 71.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 50.439999999999998 109.287 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.99 -59.18 2.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 43.030000000000001 109.261 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 1.062 HD22 HD13 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -56.74 -32.68 65.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 75.030000000000001 109.337 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.45 -50.56 62.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.401 1.063 . . . . 73.109999999999999 109.233 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 75.239999999999995 110.254 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.341 -0.244 . . . . 71.299999999999997 110.341 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.8 pt -85.83 -25.9 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 53.219999999999999 109.297 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.92 -49.52 77.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 75.120000000000005 109.281 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.67 78.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 54.030000000000001 109.345 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.72 HD22 ' HB2' ' B' ' 5' ' ' LEU . 3.0 tp -55.92 -53.48 56.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 74.200000000000003 109.304 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -56.9 -33.89 67.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 74.209999999999994 110.292 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.87 -29.6 62.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 64.120000000000005 109.277 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.96 -51.81 23.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 65.510000000000005 110.322 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pt -66.29 -25.87 36.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.578 1.174 . . . . 74.109999999999999 109.308 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.12 -32.93 72.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 73.530000000000001 109.288 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.11 -44.37 30.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 75.530000000000001 109.368 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.523 HD21 ' HB3' ' B' ' 15' ' ' LYS . 1.4 tm? -45.31 -55.23 6.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 61.149999999999999 109.278 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.549 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 5.5 tt0 -55.04 -33.62 62.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 71.109999999999999 110.256 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -75.15 -27.2 59.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 72.120000000000005 109.26 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.55 -51.03 15.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 63.399999999999999 110.328 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.8 pt -68.95 -34.05 62.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 61.340000000000003 109.329 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 13' ' ' GLU . . . -51.21 -35.05 34.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 45.539999999999999 109.266 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.03 -38.88 61.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 60.439999999999998 109.32 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.403 ' C ' HD13 ' A' ' 19' ' ' LEU . 3.4 tm? -58.75 -50.31 74.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 71.430000000000007 109.323 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.52 -56.26 21.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 72.129999999999995 110.308 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 64.439999999999998 109.268 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.282 -0.636 . . . . 72.319999999999993 109.282 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ILE . . . . . 0.588 ' HA ' HD23 ' B' ' 5' ' ' LEU . 35.1 pt -106.14 -38.07 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 71.040000000000006 109.269 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.42 -34.56 69.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 74.510000000000005 109.293 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.47 -46.25 60.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 60.240000000000002 109.357 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.72 ' HB2' HD22 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -56.76 -32.59 65.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 75.230000000000004 109.349 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -65.94 -34.03 77.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 54.43 109.265 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' B' ' 10' ' ' ALA . 1.4 mp0 -77.94 -33.81 51.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 62.140000000000001 110.327 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -48.02 83.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 52.039999999999999 109.328 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.76 ' HA ' HD23 ' B' ' 12' ' ' LEU . 45.5 pt -64.08 -35.98 75.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.605 1.191 . . . . 72.519999999999996 109.309 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' B' ' 7' ' ' GLU . . . -54.37 -41.59 69.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 55.299999999999997 109.303 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.67 -43.96 83.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.591 1.182 . . . . 74.519999999999996 109.313 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.76 HD23 ' HA ' ' B' ' 9' ' ' ILE . 0.1 OUTLIER -56.59 -32.2 65.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 75.230000000000004 109.327 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -37.16 76.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 72.129999999999995 109.306 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.612 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 12.8 mt-10 -73.85 -33.68 64.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 61.229999999999997 110.321 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.523 ' HB3' HD21 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -63.99 -53.49 49.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 75.329999999999998 109.302 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.494 HG23 ' O ' ' B' ' 12' ' ' LEU . 25.7 pt -55.78 -33.28 33.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 53.350000000000001 109.297 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' B' ' 14' ' ' GLU . . . -48.48 -31.8 6.91 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.53 1.144 . . . . 54.439999999999998 109.357 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.07 -56.72 6.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 72.329999999999998 109.351 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.415 HD12 ' O ' ' B' ' 19' ' ' LEU . 0.2 OUTLIER -51.72 -33.69 35.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 65.319999999999993 109.32 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -52.78 42.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 72.120000000000005 109.354 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.17 . . . . 74.340000000000003 110.372 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.302 -0.258 . . . . 63.340000000000003 110.302 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 25.0 mt -102.69 -43.87 9.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 75.140000000000001 109.334 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.78 -27.51 63.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 70.150000000000006 109.341 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.9 -33.6 74.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 31.109999999999999 109.259 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.5 mt -66.34 -35.57 80.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 61.32 109.324 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.9 -31.21 56.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.075 . . . . 64.439999999999998 110.296 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -74.08 -31.89 63.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 62.229999999999997 109.295 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.34 -54.77 27.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 71.019999999999996 110.364 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.711 ' CG2' HD13 ' B' ' 9' ' ' ILE . 2.0 pp -64.98 -36.76 78.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 73.329999999999998 109.345 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.89 -26.29 65.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 72.140000000000001 109.337 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.6 -49.88 13.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 61.439999999999998 109.34 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.838 ' HG ' HD13 ' B' ' 12' ' ' LEU . 1.2 mm? -58.26 -54.16 50.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 64.099999999999994 109.284 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -50.0 -38.94 39.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 71.439999999999998 110.315 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -37.51 79.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 73.120000000000005 109.342 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -65.1 -43.1 93.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 71.010000000000005 110.304 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.529 HG23 ' HB3' ' B' ' 19' ' ' LEU . 9.4 mm -73.73 -33.02 36.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 72.409999999999997 109.301 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.66 -24.72 35.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 50.409999999999997 109.28 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.84 -31.88 68.72 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.152 . . . . 64.109999999999999 109.248 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' HG ' HD13 ' B' ' 19' ' ' LEU . 3.9 mm? -72.6 -51.92 17.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 70.5 109.332 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.29 -53.81 53.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 73.420000000000002 110.257 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 60.409999999999997 109.346 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.404 ' HB3' ' HB2' ' B' ' 4' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.281 -0.637 . . . . 64.5 109.281 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ILE . . . . . 0.469 ' O ' HD22 ' B' ' 5' ' ' LEU . 15.4 mm -122.33 -55.89 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 73.040000000000006 109.255 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.92 -24.53 62.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 73.5 109.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.404 ' HB2' ' HB3' ' B' ' 1' ' ' LYS . . . -49.78 -60.65 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 42.130000000000003 109.247 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.653 ' N ' HD13 ' B' ' 5' ' ' LEU . 0.1 OUTLIER -53.93 -35.24 61.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 74.140000000000001 109.285 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -61.57 -37.14 82.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 74.230000000000004 109.265 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -75.03 -35.68 61.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 110.31 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.657 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 6.8 mptt -56.55 -29.46 62.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 73.040000000000006 109.332 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.711 HD13 ' CG2' ' A' ' 9' ' ' ILE . 47.9 mm -52.75 -42.59 42.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 75.319999999999993 109.353 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.41 -24.16 67.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 72.200000000000003 109.327 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -66.17 -38.34 87.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.107 . . . . 75.430000000000007 109.253 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.838 HD13 ' HG ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -63.4 -40.2 96.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 73.430000000000007 109.283 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -34.46 78.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 74.209999999999994 109.241 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 2.7 tt0 -77.67 -28.57 51.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 75.129999999999995 110.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -37.65 82.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 70.409999999999997 109.336 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 67.2 mt -60.01 -32.3 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 71.239999999999995 109.319 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' B' ' 14' ' ' GLU . . . -56.21 -45.73 79.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 63.32 109.251 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.72 -54.7 25.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 72.129999999999995 109.25 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.695 HD12 ' C ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -52.4 -50.46 62.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 74.030000000000001 109.301 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.407 ' N ' ' HG ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -49.19 -51.32 33.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 73.219999999999999 109.263 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 74.430000000000007 110.312 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.344 -0.243 . . . . 43.049999999999997 110.344 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.2 mp -114.63 -39.46 2.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.505 1.128 . . . . 64.040000000000006 109.302 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.65 -21.13 66.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.145 . . . . 72.540000000000006 109.316 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.9 -54.08 51.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 72.540000000000006 109.293 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.48 -39.99 74.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 70.150000000000006 109.305 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -66.84 -34.34 77.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 64.409999999999997 110.307 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.4 tttt -74.57 -31.02 61.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.394 1.059 . . . . 63.530000000000001 109.266 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.408 ' O ' HD23 ' A' ' 12' ' ' LEU . 5.6 mt-10 -69.83 -54.77 12.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 62.219999999999999 110.339 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.97 -37.57 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 74.209999999999994 109.29 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.34 -31.33 71.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 61.539999999999999 109.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.32 -49.26 64.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 74.209999999999994 109.315 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.8 ' HG ' HD13 ' B' ' 12' ' ' LEU . 4.1 mm? -61.34 -40.36 93.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 74.230000000000004 109.265 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.667 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 9.6 tt0 -49.22 -30.53 7.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 62.100000000000001 110.31 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -73.73 -42.09 61.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 64.219999999999999 109.282 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -54.72 25.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 60.240000000000002 110.333 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.614 HG21 ' HB3' ' B' ' 15' ' ' LYS . 1.1 pt -62.07 -32.82 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 74.230000000000004 109.284 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 13' ' ' GLU . . . -51.4 -32.23 25.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 63.32 109.276 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.17 -44.18 66.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 64.129999999999995 109.311 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.614 HD22 ' HB2' ' B' ' 19' ' ' LEU . 3.1 tp -53.42 -47.76 69.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 74.150000000000006 109.261 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.52 -56.0 24.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 73.439999999999998 110.279 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.327 -0.41 0 O-C-N 124.493 1.121 . . . . 52.43 109.293 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.563 ' O ' HD22 ' B' ' 5' ' ' LEU . 2.3 tttm . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.298 -0.63 . . . . 70.200000000000003 109.298 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 mt -74.99 -49.37 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 60.43 109.293 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.05 -26.97 65.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 70.439999999999998 109.348 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.29 -63.22 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 70.120000000000005 109.316 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.563 HD22 ' O ' ' B' ' 1' ' ' LYS . 1.3 mm? -58.73 -43.41 90.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 73.200000000000003 109.29 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.727 ' HA ' HD12 ' B' ' 9' ' ' ILE . 0.4 OUTLIER -52.5 -31.93 37.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.010000000000005 109.337 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -77.22 -32.15 55.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 55.200000000000003 110.283 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -32.96 70.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.088 . . . . 64.230000000000004 109.336 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' B' ' 6' ' ' LYS . 55.3 mt -61.86 -31.14 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 65.450000000000003 109.3 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.83 -23.13 62.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 63.350000000000001 109.297 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.22 -48.13 10.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 74.310000000000002 109.218 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.874 ' O ' HG23 ' B' ' 16' ' ' ILE . 0.5 OUTLIER -60.77 -29.76 69.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 74.019999999999996 109.273 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.501 ' N ' HD12 ' B' ' 12' ' ' LEU . 7.8 mttp -72.67 -45.13 60.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 64.299999999999997 109.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -27.52 64.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 64.129999999999995 110.273 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.614 ' HB3' HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -75.56 -54.53 6.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 70.209999999999994 109.35 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.874 HG23 ' O ' ' B' ' 12' ' ' LEU . 16.8 pt -56.75 -32.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 73.420000000000002 109.263 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.21 -35.62 80.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 63.299999999999997 109.247 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.39 -59.6 4.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 41.43 109.337 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.638 HD13 ' C ' ' B' ' 19' ' ' LEU . 2.0 tm? -51.76 -46.64 64.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 75.319999999999993 109.301 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -51.63 40.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 75.340000000000003 109.298 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 74.030000000000001 110.323 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.334 -0.247 . . . . 61.140000000000001 110.334 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.7 mt -64.45 -58.34 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 71.519999999999996 109.305 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.53 -21.4 62.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 61.100000000000001 109.184 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.92 -37.35 62.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 63.030000000000001 109.288 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.871 HD22 ' HB3' ' B' ' 5' ' ' LEU . 0.3 OUTLIER -52.65 -42.08 64.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 71.439999999999998 109.361 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -58.63 -34.15 70.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 75.299999999999997 110.257 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -73.96 -28.18 61.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 65.329999999999998 109.242 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.75 -54.66 7.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 70.109999999999999 110.335 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pt -63.95 -25.21 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 64.010000000000005 109.314 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -63.41 -28.74 70.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 51.329999999999998 109.279 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.89 99.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 72.310000000000002 109.362 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.771 ' HB2' HD13 ' B' ' 12' ' ' LEU . 5.2 tp -51.81 -48.2 63.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 71.400000000000006 109.288 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -54.17 -37.14 64.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.379 1.05 . . . . 73.010000000000005 110.301 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.81 -28.25 60.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.158 . . . . 74.349999999999994 109.243 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -70.95 -52.99 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 71.319999999999993 110.303 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.496 HD12 ' C ' ' A' ' 16' ' ' ILE . 2.5 pp -61.73 -28.35 43.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 64.209999999999994 109.366 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.471 ' N ' HD12 ' A' ' 16' ' ' ILE . . . -65.57 -28.02 68.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 64.010000000000005 109.307 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.7 -46.89 12.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 63.32 109.271 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -54.49 -53.48 53.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 62.310000000000002 109.353 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.85 -49.09 79.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 75.310000000000002 110.234 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 73.329999999999998 109.272 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.2 mttt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.369 -0.604 . . . . 72.519999999999996 109.369 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 1.2 mp -87.65 -63.9 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 73.319999999999993 109.307 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.48 -27.08 46.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 55.039999999999999 109.29 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.98 -31.59 29.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.168 . . . . 72.430000000000007 109.269 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.871 ' HB3' HD22 ' A' ' 5' ' ' LEU . 2.2 pp -55.97 -41.4 74.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 70.540000000000006 109.254 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.531 ' N ' HD12 ' B' ' 5' ' ' LEU . 0.2 OUTLIER -54.16 -48.6 70.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 70.209999999999994 109.31 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.53 -46.65 89.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 72.549999999999997 110.369 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -43.97 74.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 74.340000000000003 109.245 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 69.1 mt -71.83 -32.66 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 71.120000000000005 109.295 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.07 -35.74 81.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 23.219999999999999 109.302 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.29 -44.37 68.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 61.310000000000002 109.228 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.771 HD13 ' HB2' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -65.79 -33.99 77.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 65.340000000000003 109.253 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -60.34 -30.78 69.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 75.230000000000004 109.273 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.686 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 2.0 tm-20 -81.44 -45.4 16.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 74.019999999999996 110.297 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.546 ' HD2' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -55.7 -51.65 66.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.525 1.14 . . . . 73.409999999999997 109.341 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 1.4 pp -62.31 -31.46 51.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 74.219999999999999 109.293 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' B' ' 14' ' ' GLU . . . -51.34 -41.41 60.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 74.019999999999996 109.323 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.62 -60.3 4.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 61.229999999999997 109.29 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.631 ' O ' HD22 ' B' ' 19' ' ' LEU . 0.4 OUTLIER -53.01 -31.27 40.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 72.219999999999999 109.333 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -47.43 81.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 71.329999999999998 109.253 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 74.400000000000006 110.287 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.324 -0.25 . . . . 61.329999999999998 110.324 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.5 pt -57.62 -26.86 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 54.310000000000002 109.292 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.11 -39.63 68.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 75.230000000000004 109.239 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.16 -58.14 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 61.399999999999999 109.268 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.782 HD13 ' HA ' ' B' ' 2' ' ' ILE . 0.5 OUTLIER -58.78 -41.96 87.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 33.32 109.309 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.48 -38.14 71.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 71.239999999999995 110.266 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.87 -25.76 62.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 71.209999999999994 109.248 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.599 ' O ' HD22 ' A' ' 12' ' ' LEU . 2.7 tt0 -67.25 -42.46 83.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 75.030000000000001 110.343 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.539 HG22 HG23 ' B' ' 9' ' ' ILE . 0.7 OUTLIER -65.98 -30.62 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.118 . . . . 71.420000000000002 109.244 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.406 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -63.61 -26.16 68.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 75.519999999999996 109.253 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.77 -37.86 62.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 64.549999999999997 109.329 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.599 HD22 ' O ' ' A' ' 8' ' ' GLU . 2.1 mm? -82.82 -20.84 34.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 74.510000000000005 109.275 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -36.91 70.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 42.340000000000003 110.349 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.518 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -76.37 -29.02 56.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 72.340000000000003 109.218 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.18 -54.67 16.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 73.019999999999996 110.342 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.523 ' HA ' HD23 ' A' ' 19' ' ' LEU . 2.3 pp -60.93 -26.58 39.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 71.430000000000007 109.283 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 14' ' ' LYS . . . -51.94 -37.83 54.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 72.099999999999994 109.283 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.51 -51.75 26.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 73.040000000000006 109.313 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -54.62 -27.2 37.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 72.129999999999995 109.333 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.19 -58.6 3.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 73.25 110.322 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mttm . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 53.25 109.277 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.511 ' O ' HD22 ' B' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.275 -0.639 . . . . 73.409999999999997 109.275 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ILE . . . . . 0.782 ' HA ' HD13 ' A' ' 5' ' ' LEU . 34.2 pt -52.35 -39.45 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 72.219999999999999 109.312 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.417 ' N ' HG13 ' B' ' 2' ' ' ILE . . . -71.85 -28.52 63.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 51.009999999999998 109.264 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' B' ' 1' ' ' LYS . . . -64.35 -56.16 16.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 71.340000000000003 109.301 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.511 HD22 ' O ' ' B' ' 1' ' ' LYS . 1.8 mm? -54.13 -35.39 62.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 70.420000000000002 109.256 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -31.94 50.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 72.030000000000001 109.321 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -78.32 -31.64 48.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 73.319999999999993 110.281 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.826 ' O ' HD22 ' B' ' 12' ' ' LEU . 2.5 mmmt -69.67 -54.9 11.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.535 1.147 . . . . 73.540000000000006 109.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.539 HG23 HG22 ' A' ' 9' ' ' ILE . 2.5 pp -56.14 -39.26 57.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 72.010000000000005 109.303 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.25 -29.53 66.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.592 1.182 . . . . 75.120000000000005 109.289 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -62.22 -65.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.413 1.071 . . . . 44.409999999999997 109.28 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.826 HD22 ' O ' ' B' ' 8' ' ' LYS . 0.9 OUTLIER -53.83 -37.38 63.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 61.210000000000001 109.259 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -51.97 -31.47 29.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 65.409999999999997 109.295 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.29 -31.85 38.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 72.219999999999999 110.275 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.469 ' O ' ' HB3' ' B' ' 18' ' ' ALA . 2.3 mmtt -68.21 -54.71 15.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 62.229999999999997 109.267 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -38.91 76.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 70.519999999999996 109.258 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.03 -31.41 29.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.5 1.125 . . . . 64.519999999999996 109.304 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' B' ' 15' ' ' LYS . . . -63.96 -59.67 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 73.019999999999996 109.329 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.437 ' O ' HD22 ' B' ' 19' ' ' LEU . 2.2 tm? -53.61 -33.91 56.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 63.210000000000001 109.276 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -64.29 -44.24 92.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 75.150000000000006 109.29 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 73.209999999999994 110.327 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.628 ' N ' HG21 ' B' ' 2' ' ' ILE . 10.0 mm-40 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.363 -0.236 . . . . 71.430000000000007 110.363 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.768 HG22 HD11 ' B' ' 5' ' ' LEU . 13.9 pt -92.07 -25.73 5.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 52.420000000000002 109.325 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.38 -22.97 67.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.145 . . . . 43.420000000000002 109.366 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.02 -33.5 68.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.413 1.07 . . . . 52.020000000000003 109.248 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.764 ' O ' HG23 ' A' ' 9' ' ' ILE . 5.1 tp -64.82 -31.72 73.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 74.299999999999997 109.289 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -46.85 67.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 74.319999999999993 110.282 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -27.73 61.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 63.329999999999998 109.336 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.547 ' OE1' HG21 ' B' ' 9' ' ' ILE . 9.0 mm-40 -70.62 -52.18 23.06 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.504 1.128 . . . . 74.129999999999995 110.293 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.764 HG23 ' O ' ' A' ' 5' ' ' LEU . 35.9 pt -57.01 -32.5 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 72.340000000000003 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.56 -26.91 46.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 75.150000000000006 109.366 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 14' ' ' LYS . . . -72.29 -47.6 48.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 62.43 109.228 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.79 HD13 ' N ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -43.61 -38.87 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 74.530000000000001 109.316 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.79 ' N ' HD13 ' A' ' 12' ' ' LEU . 20.1 tt0 -68.02 -44.54 76.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 74.340000000000003 110.3 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' ALA . 1.4 tttt -65.99 -25.56 67.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 73.099999999999994 109.28 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -70.85 -51.55 25.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 74.120000000000005 110.272 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 12' ' ' LEU . 0.8 OUTLIER -68.31 -26.61 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 71.409999999999997 109.285 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.66 -27.75 12.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 72.230000000000004 109.293 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.26 -43.4 23.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 71.340000000000003 109.334 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.842 ' HG ' HD13 ' B' ' 19' ' ' LEU . 0.1 OUTLIER -54.5 -45.98 73.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 60.420000000000002 109.289 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.753 ' N ' HD13 ' A' ' 19' ' ' LEU . 3.4 tt0 -71.55 -46.72 58.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 74.439999999999998 110.392 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 70.439999999999998 109.291 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.318 -0.623 . . . . 73.319999999999993 109.318 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ILE . . . . . 0.628 HG21 ' N ' ' A' ' 1' ' ' GLU . 1.3 mt -115.88 -50.99 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 72.209999999999994 109.275 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.99 -29.4 65.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 64.420000000000002 109.248 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.85 -28.66 66.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.183 . . . . 73.0 109.313 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.768 HD11 HG22 ' A' ' 2' ' ' ILE . 13.1 mt -74.85 -34.4 62.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 63.439999999999998 109.29 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.722 ' HA ' HD12 ' B' ' 9' ' ' ILE . 25.1 tptt -55.47 -50.38 70.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 63.32 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -58.08 -33.71 69.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 54.520000000000003 110.316 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.509 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 4.0 tttt -58.11 -51.36 70.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 74.120000000000005 109.319 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.779 HG22 ' HD2' ' B' ' 13' ' ' LYS . 4.6 mt -53.89 -41.48 49.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 75.140000000000001 109.323 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.51 -26.2 65.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.59 1.182 . . . . 71.129999999999995 109.326 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -69.34 -40.01 77.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 62.310000000000002 109.315 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' B' ' 9' ' ' ILE . 0.7 OUTLIER -77.38 -39.85 45.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 74.310000000000002 109.281 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.779 ' HD2' HG22 ' B' ' 9' ' ' ILE . 2.4 mttt -57.21 -35.92 70.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 74.25 109.304 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.528 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 0.5 OUTLIER -66.86 -35.86 81.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 72.120000000000005 110.361 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -59.51 -50.61 73.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 54.340000000000003 109.313 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.641 HG12 HD12 ' B' ' 19' ' ' LEU . 0.0 OUTLIER -67.43 -31.03 50.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 74.430000000000007 109.352 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' B' ' 14' ' ' GLU . . . -51.65 -25.98 8.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 71.209999999999994 109.265 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.02 -33.3 33.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 61.229999999999997 109.261 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.842 HD13 ' HG ' ' A' ' 19' ' ' LEU . 17.2 mt -70.26 -44.51 68.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 64.420000000000002 109.333 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.449 ' CG ' ' HA ' ' B' ' 17' ' ' ALA . 0.0 OUTLIER -71.33 -30.34 66.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 74.420000000000002 109.276 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 63.140000000000001 110.261 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.343 -0.243 . . . . 62.530000000000001 110.343 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.9 mm -80.06 -27.93 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 72.129999999999995 109.27 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.66 -24.78 56.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 53.020000000000003 109.272 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.77 -44.38 90.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 73.549999999999997 109.344 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 mt -64.65 -31.91 73.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 73.219999999999999 109.254 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -39.27 70.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 54.020000000000003 110.287 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.557 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -74.49 -26.48 60.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 64.140000000000001 109.325 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.58 -49.75 76.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 74.219999999999999 110.344 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.448 HG23 HG22 ' B' ' 9' ' ' ILE . 1.0 OUTLIER -56.06 -27.84 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 64.230000000000004 109.293 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . -70.48 -33.63 71.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 73.230000000000004 109.29 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.54 -60.56 2.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 72.019999999999996 109.334 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.617 HD23 ' O ' ' B' ' 9' ' ' ILE . 2.0 mp -47.9 -46.67 31.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 71.239999999999995 109.323 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -57.45 -35.03 69.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 63.43 110.243 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.542 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -69.08 -37.7 78.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 72.340000000000003 109.302 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -58.56 -53.9 53.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 71.299999999999997 110.324 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.518 ' CD1' HD23 ' A' ' 19' ' ' LEU . 8.3 tp -64.5 -27.38 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 73.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 14' ' ' LYS . . . -59.65 -32.19 70.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 74.409999999999997 109.321 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.55 -33.22 64.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 74.209999999999994 109.286 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.518 HD23 ' CD1' ' A' ' 16' ' ' ILE . 4.7 tp -65.65 -60.72 2.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 75.400000000000006 109.297 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -52.33 -55.95 18.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 74.109999999999999 110.303 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 61.020000000000003 109.245 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.315 -0.624 . . . . 75.340000000000003 109.315 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 pt -99.92 -36.93 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 73.540000000000006 109.26 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.95 -32.6 67.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 73.340000000000003 109.294 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.53 -58.48 4.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 71.310000000000002 109.231 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.456 ' O ' HG23 ' B' ' 9' ' ' ILE . 0.9 OUTLIER -62.47 -32.99 73.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 72.400000000000006 109.291 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -63.93 -31.58 72.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 74.430000000000007 109.25 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -77.76 -31.21 51.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 62.420000000000002 110.261 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.587 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 17.8 mttp -71.98 -54.28 10.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 73.540000000000006 109.309 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.617 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.9 pp -56.88 -37.26 53.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 75.099999999999994 109.307 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.78 -23.09 62.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 65.019999999999996 109.341 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -65.12 -52.02 57.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 64.319999999999993 109.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.528 HD22 ' N ' ' B' ' 12' ' ' LEU . 2.6 mm? -70.56 -30.97 67.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 64.030000000000001 109.321 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.655 ' O ' ' HB2' ' B' ' 17' ' ' ALA . 0.0 OUTLIER -54.97 -30.58 59.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 75.140000000000001 109.362 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.53 -28.18 51.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 74.310000000000002 110.343 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.447 ' C ' HD13 ' A' ' 16' ' ' ILE . 1.2 mtpp -73.77 -50.5 20.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 75.219999999999999 109.309 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.408 HG13 ' N ' ' B' ' 17' ' ' ALA . 1.2 pp -70.57 -32.07 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.404 1.065 . . . . 74.549999999999997 109.345 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' B' ' 13' ' ' LYS . . . -47.94 -36.4 12.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 72.340000000000003 109.287 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -47.99 60.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 70.409999999999997 109.362 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.44 ' HB2' HD22 ' A' ' 19' ' ' LEU . 1.5 tm? -52.62 -51.91 57.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 50.130000000000003 109.322 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -51.38 -50.08 60.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 74.140000000000001 109.275 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 74.019999999999996 110.289 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.338 -0.245 . . . . 52.409999999999997 110.338 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.0 mt -75.73 -54.4 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 54.009999999999998 109.281 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.94 -33.92 65.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 72.340000000000003 109.318 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.07 -29.61 69.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 53.219999999999999 109.287 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.884 HD13 ' HB2' ' B' ' 5' ' ' LEU . 0.2 OUTLIER -61.51 -36.19 79.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 62.200000000000003 109.216 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -68.61 -39.24 80.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 71.129999999999995 110.303 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -25.64 59.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 73.209999999999994 109.248 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -75.54 -54.51 6.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 64.329999999999998 110.295 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.427 HD12 ' N ' ' A' ' 10' ' ' ALA . 2.7 pp -57.5 -34.97 48.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 74.129999999999995 109.296 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.427 ' N ' HD12 ' A' ' 9' ' ' ILE . . . -65.8 -38.33 88.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.567 1.167 . . . . 74.349999999999994 109.302 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 8' ' ' GLU . . . -54.71 -64.97 0.66 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.141 . . . . 74.510000000000005 109.339 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 12' ' ' LEU . 2.6 mm? -54.04 -42.85 69.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 63.210000000000001 109.294 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 10.4 tt0 -57.65 -35.72 70.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 63.240000000000002 110.297 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.49 -27.16 64.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 52.219999999999999 109.292 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -77.23 -49.0 16.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 71.510000000000005 110.329 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.515 ' C ' HD12 ' A' ' 16' ' ' ILE . 1.5 pp -70.38 -27.6 32.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.422 1.077 . . . . 75.239999999999995 109.338 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 13' ' ' GLU . . . -60.95 -31.96 71.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 73.420000000000002 109.294 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.23 -29.43 62.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 51.130000000000003 109.33 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.851 HD13 ' HB2' ' B' ' 19' ' ' LEU . 6.7 tp -67.24 -58.54 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 71.540000000000006 109.248 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -53.06 -56.42 16.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 75.099999999999994 110.319 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 75.129999999999995 109.293 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.428 ' O ' ' HB3' ' B' ' 4' ' ' ALA . 2.1 tptt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.341 -0.615 . . . . 70.319999999999993 109.341 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ILE . . . . . 0.542 ' HA ' HD23 ' B' ' 5' ' ' LEU . 1.3 pt -52.87 -37.46 25.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 71.340000000000003 109.326 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.52 -30.04 71.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 53.450000000000003 109.23 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' B' ' 1' ' ' LYS . . . -73.25 -29.03 62.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 73.439999999999998 109.24 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.884 ' HB2' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -69.51 -32.44 71.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 74.099999999999994 109.312 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -63.71 -36.61 84.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 65.040000000000006 109.333 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.43 -32.03 48.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 53.329999999999998 110.245 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.566 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 15.7 mttt -66.64 -54.88 18.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 64.049999999999997 109.311 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.681 ' HA ' HD12 ' B' ' 12' ' ' LEU . 2.8 pp -55.1 -44.98 76.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 54.049999999999997 109.335 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.676 ' N ' HD12 ' B' ' 9' ' ' ILE . . . -60.35 -27.36 67.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 70.439999999999998 109.33 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -70.86 -52.89 17.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 73.209999999999994 109.276 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' B' ' 9' ' ' ILE . 0.3 OUTLIER -64.44 -29.77 70.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 65.030000000000001 109.279 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -71.67 -35.13 70.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 72.420000000000002 109.293 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -29.79 63.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 72.049999999999997 110.369 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.35 -54.67 6.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 74.150000000000006 109.239 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.549 ' CD1' HD23 ' B' ' 19' ' ' LEU . 0.3 OUTLIER -57.1 -34.08 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 63.420000000000002 109.32 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.44 -33.59 59.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 44.109999999999999 109.279 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.74 -49.12 67.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 62.030000000000001 109.312 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.851 ' HB2' HD13 ' A' ' 19' ' ' LEU . 3.7 tp -58.65 -44.71 90.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 44.509999999999998 109.264 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -44.15 71.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 74.25 109.297 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 74.209999999999994 110.329 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.364 -0.236 . . . . 73.510000000000005 110.364 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp -63.08 -23.32 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 75.530000000000001 109.242 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.94 -28.77 63.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 73.209999999999994 109.258 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.14 -41.81 57.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 72.540000000000006 109.264 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.403 ' CD2' HG23 ' B' ' 2' ' ' ILE . 2.7 mm? -70.57 -41.39 72.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 74.340000000000003 109.296 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -61.44 -31.76 71.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 75.230000000000004 110.274 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -69.59 -32.87 71.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.085 . . . . 72.230000000000004 109.225 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.625 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.7 mt-10 -65.44 -30.06 70.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.485 1.116 . . . . 70.209999999999994 110.337 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.7 mt -56.47 -50.53 72.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 72.5 109.318 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.79 -26.44 67.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 60.340000000000003 109.329 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 8' ' ' GLU . . . -66.25 -61.76 1.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 72.299999999999997 109.313 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.569 HD22 ' O ' ' A' ' 8' ' ' GLU . 2.4 mm? -59.17 -30.77 68.42 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.509 1.131 . . . . 52.329999999999998 109.245 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.14 -35.35 76.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 71.109999999999999 110.301 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -70.16 -26.46 63.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 75.450000000000003 109.276 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.596 ' CD ' HD21 ' B' ' 19' ' ' LEU . 0.9 OUTLIER -64.18 -52.48 58.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 72.329999999999998 110.311 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.5 pt -69.11 -27.68 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 62.140000000000001 109.268 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.36 -32.15 69.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 71.439999999999998 109.305 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.49 -46.29 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 61.030000000000001 109.304 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.492 HD13 ' C ' ' A' ' 19' ' ' LEU . 1.8 tm? -56.39 -58.61 7.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 72.030000000000001 109.239 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.444 ' N ' HD13 ' A' ' 19' ' ' LEU . 19.1 tt0 -53.78 -41.02 66.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 64.329999999999998 110.294 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 tptt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 74.200000000000003 109.296 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.476 ' O ' HD22 ' B' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.2 -0.666 . . . . 70.200000000000003 109.2 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ILE . . . . . 0.403 HG23 ' CD2' ' A' ' 5' ' ' LEU . 47.4 mt -50.75 -32.08 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 45.200000000000003 109.287 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.29 -33.54 73.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 70.329999999999998 109.307 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' B' ' 1' ' ' LYS . . . -62.89 -42.97 99.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 43.240000000000002 109.321 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.478 ' H ' HD22 ' B' ' 5' ' ' LEU . 2.4 mm? -72.42 -43.81 63.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 72.549999999999997 109.335 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -53.03 -41.48 64.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 52.229999999999997 109.271 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -38.46 80.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 73.329999999999998 110.284 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.413 ' O ' HD22 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -54.3 -52.74 60.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 44.149999999999999 109.318 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.454 HG21 ' HB2' ' A' ' 8' ' ' GLU . 45.6 pt -63.73 -31.49 53.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.172 . . . . 74.430000000000007 109.309 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.11 -26.01 65.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 71.420000000000002 109.316 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.81 -51.67 31.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 109.232 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.413 HD22 ' O ' ' B' ' 8' ' ' LYS . 1.2 mm? -67.07 -34.32 77.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 71.519999999999996 109.324 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.55 -30.09 19.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 74.010000000000005 109.287 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -76.77 -30.29 56.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 72.239999999999995 110.334 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -74.89 -54.28 7.54 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.526 1.141 . . . . 62.100000000000001 109.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 pp -57.89 -32.2 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 75.329999999999998 109.308 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.22 -27.69 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.397 1.061 . . . . 74.109999999999999 109.281 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.68 -51.55 7.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 55.409999999999997 109.322 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.596 HD21 ' CD ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -53.4 -29.72 36.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 71.150000000000006 109.289 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -68.99 -48.46 63.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 74.019999999999996 109.289 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 63.149999999999999 110.293 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.319 -0.252 . . . . 64.209999999999994 110.319 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.719 ' O ' HD12 ' A' ' 5' ' ' LEU . 32.7 pt -80.82 -20.75 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 73.319999999999993 109.274 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.29 -22.06 64.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 55.219999999999999 109.308 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.09 -20.62 64.22 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 45.140000000000001 109.3 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.851 HD13 ' N ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -53.65 -30.88 45.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 72.310000000000002 109.275 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.851 ' N ' HD13 ' A' ' 5' ' ' LEU . 1.8 mt-10 -49.96 -32.16 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 74.230000000000004 110.319 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.94 -41.11 71.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 75.420000000000002 109.263 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.552 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.8 mt-10 -60.35 -29.82 69.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 64.329999999999998 110.351 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.57 HD11 HD23 ' A' ' 5' ' ' LEU . 9.2 mm -64.05 -48.22 86.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 71.230000000000004 109.33 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.13 -26.04 65.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 73.450000000000003 109.271 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 8' ' ' GLU . . . -53.97 -56.25 19.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 50.420000000000002 109.306 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.29 -37.67 66.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.106 . . . . 73.049999999999997 109.309 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.638 ' HA ' HD22 ' B' ' 12' ' ' LEU . 2.9 tt0 -52.62 -38.17 59.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 72.129999999999995 110.311 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.498 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -72.6 -32.13 65.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 71.099999999999994 109.279 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.72 -51.24 63.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 65.219999999999999 110.338 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.412 HG21 ' HB3' ' B' ' 15' ' ' LYS . 4.5 pt -65.02 -28.87 45.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 63.340000000000003 109.264 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 14' ' ' LYS . . . -52.71 -27.93 19.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 62.5 109.324 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.16 -47.89 32.87 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.09 . . . . 73.109999999999999 109.289 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 tp -54.2 -52.11 62.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 72.140000000000001 109.266 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -53.2 -58.12 8.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 72.219999999999999 110.298 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 75.439999999999998 109.262 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.314 -0.624 . . . . 71.420000000000002 109.314 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -45.89 -38.21 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 75.319999999999993 109.315 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.99 -41.76 67.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.171 . . . . 72.329999999999998 109.29 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.18 -61.8 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 61.229999999999997 109.312 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.679 ' HB2' HD23 ' A' ' 5' ' ' LEU . 1.8 pp -54.17 -34.1 59.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 64.129999999999995 109.317 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -63.66 -36.34 83.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 55.130000000000003 109.285 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -77.92 -32.27 51.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 72.400000000000006 110.315 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -48.69 78.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 73.5 109.256 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.407 HG13 ' N ' ' B' ' 10' ' ' ALA . 1.1 pt -71.74 -31.06 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 63.539999999999999 109.312 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.407 ' N ' HG13 ' B' ' 9' ' ' ILE . . . -51.68 -32.79 31.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 62.329999999999998 109.257 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.92 -61.8 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 62.399999999999999 109.315 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.638 HD22 ' HA ' ' A' ' 13' ' ' GLU . 4.0 mt -55.96 -29.8 60.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 72.120000000000005 109.307 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' B' ' 17' ' ' ALA . 12.5 ttmt -64.86 -38.39 90.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 62.43 109.322 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.84 -29.73 62.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 71.530000000000001 110.282 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.412 ' HB3' HG21 ' A' ' 16' ' ' ILE . 4.7 tptt -67.51 -53.14 31.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 64.340000000000003 109.308 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -68.1 -31.67 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 74.519999999999996 109.281 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' B' ' 13' ' ' LYS . . . -49.93 -27.02 4.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 41.340000000000003 109.214 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.52 -34.23 35.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 72.450000000000003 109.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' B' ' 16' ' ' ILE . 16.8 tp -65.01 -50.9 64.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 53.109999999999999 109.287 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.41 -52.99 41.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 74.430000000000007 109.31 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 55.32 110.324 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.341 -0.244 . . . . 43.049999999999997 110.341 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 pp -101.73 -32.77 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 75.219999999999999 109.337 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.0 -22.19 65.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 62.310000000000002 109.322 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.7 -50.06 47.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 73.239999999999995 109.3 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 5' ' ' LEU . 3.3 mm? -61.78 -38.12 86.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 74.150000000000006 109.294 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.583 ' HG3' HD12 ' B' ' 5' ' ' LEU . 3.4 tt0 -59.72 -45.37 92.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 74.099999999999994 110.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.39 -25.5 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.627 1.204 . . . . 74.430000000000007 109.26 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.39 -40.52 64.25 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 71.530000000000001 110.313 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 0.8 OUTLIER -58.26 -25.52 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 72.129999999999995 109.346 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.31 -34.45 75.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 75.109999999999999 109.27 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.01 98.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 74.5 109.282 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.436 ' CD2' HG23 ' B' ' 9' ' ' ILE . 3.3 mm? -70.86 -25.81 62.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 51.439999999999998 109.261 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.667 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -65.82 -36.48 83.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 70.230000000000004 110.185 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -69.09 -27.09 65.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 74.329999999999998 109.26 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.493 ' HB3' HG21 ' B' ' 16' ' ' ILE . 0.4 OUTLIER -70.3 -26.75 63.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 63.109999999999999 110.342 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' A' ' 13' ' ' GLU . 38.2 mt -67.16 -31.08 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 64.109999999999999 109.314 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.86 -39.99 76.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 32.409999999999997 109.271 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.94 -43.27 8.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.183 . . . . 72.340000000000003 109.323 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.875 HD22 HD13 ' B' ' 19' ' ' LEU . 4.5 tp -53.32 -63.02 1.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.073 . . . . 75.299999999999997 109.381 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.61 -59.17 4.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.542 1.151 . . . . 61.549999999999997 110.354 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 73.340000000000003 109.249 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.313 -0.625 . . . . 71.519999999999996 109.313 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 2.0 pp -112.53 -34.0 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 73.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.29 -25.21 62.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 73.140000000000001 109.321 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.34 -59.09 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 72.120000000000005 109.215 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.583 HD12 ' HG3' ' A' ' 6' ' ' GLU . 2.9 mm? -56.14 -39.03 71.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 72.109999999999999 109.307 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.767 ' HA ' HD12 ' B' ' 9' ' ' ILE . 6.2 mttt -50.84 -44.91 59.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 73.430000000000007 109.299 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.26 -31.55 71.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 75.319999999999993 110.287 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.652 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 9.5 ttmt -66.11 -33.39 75.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 43.439999999999998 109.267 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.767 HD12 ' HA ' ' B' ' 6' ' ' LYS . 39.6 mt -62.6 -49.05 85.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 74.430000000000007 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.32 -23.53 65.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 72.530000000000001 109.294 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -61.7 -66.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 73.400000000000006 109.29 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.535 HD12 HD11 ' A' ' 16' ' ' ILE . 3.2 mm? -59.61 -29.71 68.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 73.519999999999996 109.279 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 19.9 tttm -65.26 -34.05 77.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 72.450000000000003 109.261 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.49 -36.99 28.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 71.030000000000001 110.327 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -63.23 -54.18 41.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 60.030000000000001 109.284 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.493 HG21 ' HB3' ' A' ' 15' ' ' GLU . 2.1 pp -55.24 -33.6 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 73.109999999999999 109.244 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.6 -35.9 82.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 63.219999999999999 109.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.92 -33.58 76.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.126 . . . . 53.409999999999997 109.319 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.875 HD13 HD22 ' A' ' 19' ' ' LEU . 12.3 mt -75.91 -36.15 59.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 73.510000000000005 109.324 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -52.63 60.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 72.439999999999998 109.355 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 74.140000000000001 110.289 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.326 -0.25 . . . . 74.109999999999999 110.326 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.4 pt -123.22 -44.92 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 72.510000000000005 109.345 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.92 -24.23 50.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 63.210000000000001 109.305 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.27 -28.95 38.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 63.43 109.29 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.754 ' C ' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -58.18 -43.27 87.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 74.549999999999997 109.309 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 6.3 mt-10 -75.07 -35.92 61.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 75.299999999999997 110.312 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -68.52 -26.15 65.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 75.319999999999993 109.325 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.91 -52.9 8.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 65.109999999999999 110.305 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 pt -69.43 -25.23 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 70.430000000000007 109.362 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -50.48 -28.81 9.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 71.200000000000003 109.328 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 14' ' ' LYS . . . -64.4 -38.52 91.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 64.230000000000004 109.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.568 HD23 HG23 ' B' ' 16' ' ' ILE . 3.0 tm? -44.41 -49.61 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 64.109999999999999 109.291 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -54.02 -38.07 64.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 63.240000000000002 110.306 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -75.15 -26.95 59.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 72.150000000000006 109.309 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.87 -52.22 21.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.079 . . . . 64.319999999999993 110.343 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.4 pt -64.72 -32.64 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 64.319999999999993 109.323 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.61 -27.3 38.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 63.439999999999998 109.305 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.77 -45.51 14.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 55.340000000000003 109.326 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.475 HD22 ' HB2' ' B' ' 19' ' ' LEU . 1.4 tp -53.94 -55.0 31.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 65.049999999999997 109.301 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -60.85 -51.14 70.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 74.519999999999996 110.306 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.4 tttt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 75.25 109.255 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.268 -0.642 . . . . 63.149999999999999 109.268 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 pt -106.89 -28.35 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.497 1.123 . . . . 64.430000000000007 109.344 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.27 -31.91 73.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 71.129999999999995 109.332 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.87 -20.86 38.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 72.219999999999999 109.309 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.914 HD13 ' N ' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -67.82 -39.12 83.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 54.310000000000002 109.281 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.914 ' N ' HD13 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -74.76 -44.57 49.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 74.439999999999998 109.377 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' B' ' 10' ' ' ALA . 1.8 mt-10 -54.37 -49.37 69.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 75.409999999999997 110.335 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.83 -51.43 69.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 51.240000000000002 109.331 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.494 HG23 HD23 ' B' ' 12' ' ' LEU . 7.8 mm -57.62 -31.05 38.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.157 . . . . 52.229999999999997 109.269 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' B' ' 7' ' ' GLU . . . -68.11 -36.55 79.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 73.450000000000003 109.286 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.32 -33.19 72.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 74.200000000000003 109.271 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.494 HD23 HG23 ' B' ' 9' ' ' ILE . 0.1 OUTLIER -65.2 -40.82 94.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 64.129999999999995 109.3 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' B' ' 17' ' ' ALA . 7.5 tttt -69.45 -33.69 73.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 63.409999999999997 109.254 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.93 -30.06 58.58 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.491 1.119 . . . . 74.129999999999995 110.268 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -75.19 -54.63 6.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 72.450000000000003 109.331 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.568 HG23 HD23 ' A' ' 12' ' ' LEU . 2.6 pp -59.63 -34.2 54.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 74.150000000000006 109.337 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' B' ' 13' ' ' LYS . . . -49.09 -43.79 41.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 52.350000000000001 109.275 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.28 -52.74 60.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 64.230000000000004 109.324 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.944 HD22 ' O ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -55.23 -43.67 74.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.168 . . . . 74.310000000000002 109.3 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.429 ' N ' HD13 ' B' ' 19' ' ' LEU . 0.7 OUTLIER -57.11 -49.3 76.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 74.430000000000007 109.324 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 64.200000000000003 110.332 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.283 -0.266 . . . . 43.049999999999997 110.283 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.469 ' O ' HD12 ' A' ' 5' ' ' LEU . 45.1 pt -88.85 -22.29 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 73.310000000000002 109.321 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.02 -23.57 64.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 61.409999999999997 109.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.61 -21.05 24.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 64.25 109.262 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.894 HD13 ' N ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -54.67 -31.95 58.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 72.420000000000002 109.224 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.894 ' N ' HD13 ' A' ' 5' ' ' LEU . 2.2 tt0 -70.79 -33.3 70.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 73.030000000000001 110.262 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -73.68 -36.92 65.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 54.149999999999999 109.244 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.1 mt-10 -65.51 -54.84 22.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 62.43 110.304 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.798 HG23 HD11 ' B' ' 12' ' ' LEU . 85.6 mt -54.6 -39.19 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 73.140000000000001 109.301 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.82 -26.18 65.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 72.150000000000006 109.28 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 8' ' ' GLU . . . -71.49 -50.24 33.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 61.409999999999997 109.325 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -47.29 78.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 73.519999999999996 109.224 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.959 ' HA ' HD12 ' A' ' 16' ' ' ILE . 11.5 tt0 -56.25 -50.57 70.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 74.030000000000001 110.323 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -52.84 -25.27 10.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 74.310000000000002 109.265 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 2.8 tt0 -79.37 -39.71 31.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.416 1.073 . . . . 73.430000000000007 110.286 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.959 HD12 ' HA ' ' A' ' 13' ' ' GLU . 4.7 mt -67.47 -52.97 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 71.049999999999997 109.267 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.17 -27.95 9.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 73.219999999999999 109.244 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 15' ' ' GLU . . . -69.31 -46.04 68.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 72.430000000000007 109.267 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.752 ' C ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.53 -32.01 73.34 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.544 1.153 . . . . 70.120000000000005 109.251 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.416 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -70.09 -58.52 3.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 75.129999999999995 110.324 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 74.319999999999993 109.291 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.314 -0.624 . . . . 65.450000000000003 109.314 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 21.6 pt -73.87 -37.9 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 75.430000000000007 109.259 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.46 -27.77 64.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 54.5 109.344 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.42 -62.68 1.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 73.519999999999996 109.278 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.885 HD22 ' CB ' ' A' ' 5' ' ' LEU . 3.6 pp -58.11 -33.46 69.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 75.150000000000006 109.319 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -32.5 74.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 52.210000000000001 109.273 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.516 ' O ' ' HB3' ' B' ' 10' ' ' ALA . 23.1 tt0 -78.35 -46.85 19.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.401 1.063 . . . . 63.109999999999999 110.254 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -55.41 -54.83 38.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 55.140000000000001 109.326 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.446 ' CG1' ' O ' ' B' ' 5' ' ' LEU . 1.6 pp -56.12 -30.99 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 63.439999999999998 109.296 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' B' ' 7' ' ' GLU . . . -68.04 -36.53 80.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 74.409999999999997 109.248 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.39 -44.35 87.79 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.578 1.173 . . . . 74.109999999999999 109.253 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.798 HD11 HG23 ' A' ' 9' ' ' ILE . 5.3 mt -72.43 -32.7 66.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 60.399999999999999 109.353 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -69.95 -29.09 66.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 50.100000000000001 109.305 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -80.99 -29.56 35.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 72.140000000000001 110.323 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -75.02 -46.78 32.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 71.310000000000002 109.315 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.583 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.0 pp -64.3 -30.96 51.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 54.439999999999998 109.264 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.12 -24.89 1.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 72.349999999999994 109.273 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.05 -41.98 24.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 74.219999999999999 109.243 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.909 HD22 ' O ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -62.55 -47.73 82.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 75.5 109.333 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -52.21 -46.23 65.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 71.430000000000007 109.282 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 72.230000000000004 110.342 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.476 ' N ' ' HB3' ' A' ' 4' ' ' ALA . 12.5 mt-10 . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.323 -0.251 . . . . 73.030000000000001 110.323 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 86.6 mt -128.82 -62.35 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 75.040000000000006 109.249 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.4 -22.77 57.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 23.350000000000001 109.323 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.476 ' HB3' ' N ' ' A' ' 1' ' ' GLU . . . -75.1 -22.87 57.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 72.230000000000004 109.248 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.838 ' HG ' HD13 ' B' ' 5' ' ' LEU . 0.2 OUTLIER -55.52 -32.82 63.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 52.149999999999999 109.281 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -67.55 -31.32 71.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 73.239999999999995 110.3 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.62 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -74.75 -47.81 29.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 75.310000000000002 109.33 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -59.23 -53.69 55.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 72.120000000000005 110.337 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.543 HG23 ' O ' ' A' ' 5' ' ' LEU . 2.2 pp -58.26 -31.03 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 61.32 109.334 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . -55.55 -28.04 52.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 42.549999999999997 109.328 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.81 -34.77 78.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 54.299999999999997 109.329 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.769 ' HG ' HD13 ' B' ' 12' ' ' LEU . 1.7 mm? -70.19 -45.57 66.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 62.149999999999999 109.286 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -31.65 52.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 73.150000000000006 110.288 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.609 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -76.5 -36.47 57.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 64.230000000000004 109.363 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -65.12 -52.89 52.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 71.310000000000002 110.317 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.403 HG21 ' HB3' ' B' ' 15' ' ' LYS . 2.2 pp -61.19 -26.28 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 74.219999999999999 109.324 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 14' ' ' LYS . . . -52.13 -30.49 26.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 61.520000000000003 109.31 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -39.0 76.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 62.329999999999998 109.332 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.879 HD22 ' HB2' ' B' ' 19' ' ' LEU . 7.2 tp -64.15 -54.14 38.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 64.340000000000003 109.258 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -56.55 20.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 64.319999999999993 110.303 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 71.239999999999995 109.287 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.311 -0.626 . . . . 74.540000000000006 109.311 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 37.7 pt -107.1 -33.56 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 63.520000000000003 109.33 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.5 -27.46 68.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.41 1.069 . . . . 51.439999999999998 109.353 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.01 -54.56 45.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 74.150000000000006 109.335 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.838 HD13 ' HG ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -52.84 -39.57 62.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 65.219999999999999 109.28 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.35 -40.91 92.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 63.399999999999999 109.311 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -72.54 -33.21 66.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 65.230000000000004 110.352 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -53.7 51.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 62.350000000000001 109.265 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 34.6 pt -60.68 -32.1 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 70.120000000000005 109.296 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.55 -25.09 62.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 70.150000000000006 109.369 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.38 -57.54 3.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 73.319999999999993 109.363 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.784 ' C ' HD12 ' B' ' 12' ' ' LEU . 0.4 OUTLIER -55.72 -34.41 65.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 72.439999999999998 109.279 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.465 ' N ' HD12 ' B' ' 12' ' ' LEU . 2.4 tmtt? -66.89 -31.45 72.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 53.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -78.5 -40.19 35.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 65.340000000000003 110.307 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.403 ' HB3' HG21 ' A' ' 16' ' ' ILE . 6.2 mttm -64.75 -52.55 56.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 62.310000000000002 109.31 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.541 HD12 ' N ' ' B' ' 17' ' ' ALA . 2.1 pp -59.63 -36.69 66.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 54.340000000000003 109.31 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.541 ' N ' HD12 ' B' ' 16' ' ' ILE . . . -53.65 -51.63 62.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 63.109999999999999 109.332 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.64 -63.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 62.520000000000003 109.329 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.879 ' HB2' HD22 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -52.1 -34.43 44.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 61.439999999999998 109.33 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -50.71 69.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 74.049999999999997 109.35 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 74.510000000000005 110.302 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.332 -0.248 . . . . 72.200000000000003 110.332 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -92.27 -28.4 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 73.099999999999994 109.319 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.76 -31.23 71.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 71.230000000000004 109.282 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.43 -21.89 62.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 54.32 109.36 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.741 ' C ' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -54.42 -45.09 72.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 71.540000000000006 109.305 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 4.6 tt0 -62.77 -36.25 82.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 62.210000000000001 110.308 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -26.66 61.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 73.030000000000001 109.324 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.402 ' HB3' HD11 ' B' ' 9' ' ' ILE . 0.1 OUTLIER -72.52 -51.08 21.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 61.109999999999999 110.268 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.534 HG21 ' CG ' ' B' ' 8' ' ' LYS . 2.4 pt -70.92 -31.54 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 74.420000000000002 109.378 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -60.6 -28.02 68.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 62.420000000000002 109.326 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.46 87.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 73.129999999999995 109.324 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -87.99 -21.06 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 72.150000000000006 109.323 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.507 ' N ' HD22 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -73.53 -37.03 65.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 73.209999999999994 110.288 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -26.53 60.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 75.200000000000003 109.283 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.65 -53.15 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 74.400000000000006 110.369 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.662 HG21 ' HB3' ' B' ' 15' ' ' LYS . 1.8 pp -64.4 -26.0 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 64.120000000000005 109.331 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.77 -23.62 4.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.439 1.087 . . . . 63.32 109.26 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.02 -47.76 56.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.433 1.083 . . . . 54.32 109.309 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.41 -59.54 4.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 72.209999999999994 109.266 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -52.41 -57.81 8.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.494 1.121 . . . . 72.099999999999994 110.234 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 72.430000000000007 109.33 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.331 -0.618 . . . . 74.140000000000001 109.331 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 1.2 pt -72.11 -32.09 42.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 54.149999999999999 109.34 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.21 -26.7 64.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 53.539999999999999 109.31 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.47 -39.78 27.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 73.329999999999998 109.241 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.732 HD13 ' C ' ' B' ' 5' ' ' LEU . 0.4 OUTLIER -66.4 -34.51 78.11 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.538 1.149 . . . . 70.420000000000002 109.333 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -53.67 -49.71 67.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.622 1.201 . . . . 74.239999999999995 109.329 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -77.17 -34.04 56.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 71.409999999999997 110.363 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.546 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 20.8 tptt -51.0 -41.76 59.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 75.219999999999999 109.322 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.402 HD11 ' HB3' ' A' ' 8' ' ' GLU . 4.9 mm -67.19 -43.37 88.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 64.049999999999997 109.313 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.406 ' HA ' ' CB ' ' B' ' 13' ' ' LYS . . . -59.23 -29.19 67.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 74.519999999999996 109.249 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -53.11 -54.97 27.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.442 1.089 . . . . 72.129999999999995 109.353 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.507 HD22 ' N ' ' A' ' 13' ' ' GLU . 1.5 mp -75.6 -31.9 60.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 51.409999999999997 109.278 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.568 ' HA ' HD12 ' B' ' 16' ' ' ILE . 0.1 OUTLIER -50.78 -33.88 25.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 51.020000000000003 109.343 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 2.7 tt0 -78.96 -39.91 33.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 61.25 110.291 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.662 ' HB3' HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -58.67 -39.86 81.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 70.420000000000002 109.273 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' B' ' 13' ' ' LYS . 13.5 mt -63.87 -35.62 73.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 42.43 109.293 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' B' ' 14' ' ' GLU . . . -55.9 -28.44 56.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 60.240000000000002 109.266 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' B' ' 15' ' ' LYS . . . -67.16 -57.82 6.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 71.430000000000007 109.325 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.521 HD13 ' C ' ' B' ' 19' ' ' LEU . 2.6 tm? -53.87 -50.18 66.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 70.340000000000003 109.258 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.17 -45.92 65.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 61.409999999999997 109.302 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 74.329999999999998 110.315 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.335 -0.246 . . . . 64.540000000000006 110.335 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.535 HG23 HD23 ' A' ' 5' ' ' LEU . 21.1 mt -113.36 -35.2 2.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 64.319999999999993 109.25 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.36 -23.96 67.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 53.399999999999999 109.377 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.27 -21.15 59.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 34.119999999999997 109.3 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.535 HD23 HG23 ' A' ' 2' ' ' ILE . 0.2 OUTLIER -59.23 -40.68 86.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.179 . . . . 64.310000000000002 109.323 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.21 -42.57 86.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 73.140000000000001 110.318 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -75.14 -30.04 60.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 70.209999999999994 109.33 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.542 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -64.07 -53.35 51.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 70.530000000000001 110.283 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.497 HG23 HD23 ' B' ' 5' ' ' LEU . 46.9 pt -58.79 -33.89 50.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.606 1.191 . . . . 75.219999999999999 109.333 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.29 -25.9 67.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 74.120000000000005 109.318 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 8' ' ' GLU . . . -56.37 -41.84 76.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 72.420000000000002 109.363 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.67 ' HB2' HD13 ' B' ' 12' ' ' LEU . 2.0 mm? -88.72 -31.46 18.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.164 . . . . 75.329999999999998 109.273 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.44 -39.83 70.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 71.25 110.3 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -69.79 -27.27 64.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 72.530000000000001 109.314 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.22 -49.77 26.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 73.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.4 HG22 ' HB3' ' B' ' 15' ' ' LYS . 1.2 pt -71.4 -27.94 30.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 74.530000000000001 109.298 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.92 -23.22 67.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 72.319999999999993 109.262 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.61 -50.53 10.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 51.409999999999997 109.328 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.27 -43.23 82.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 74.109999999999999 109.303 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.2 -50.42 72.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 75.200000000000003 110.295 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 74.340000000000003 109.278 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.294 -0.632 . . . . 71.299999999999997 109.294 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -47.22 -39.03 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 73.099999999999994 109.263 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.39 -41.13 94.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 73.030000000000001 109.301 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.79 -35.45 80.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 64.420000000000002 109.265 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.629 HD13 ' C ' ' B' ' 5' ' ' LEU . 0.7 OUTLIER -57.25 -51.91 67.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.591 1.182 . . . . 65.310000000000002 109.279 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.554 ' N ' HD13 ' B' ' 5' ' ' LEU . 4.5 ttpt -51.55 -35.17 39.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 73.439999999999998 109.36 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -75.69 -32.64 60.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.554 1.159 . . . . 64.409999999999997 110.257 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.401 ' HB3' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -66.48 -54.67 21.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 75.400000000000006 109.352 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 45.9 pt -63.52 -33.56 62.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 74.530000000000001 109.338 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.91 -26.94 65.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 71.319999999999993 109.334 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.63 -48.88 20.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.593 1.183 . . . . 64.310000000000002 109.346 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.67 HD13 ' HB2' ' A' ' 12' ' ' LEU . 3.0 mt -67.26 -30.16 69.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 54.109999999999999 109.276 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -57.09 -29.34 63.41 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.446 1.091 . . . . 55.340000000000003 109.345 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -76.15 -30.67 58.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 74.340000000000003 110.322 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' B' ' 18' ' ' ALA . 18.6 mttt -75.09 -54.61 6.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 74.209999999999994 109.299 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.522 HD12 ' N ' ' B' ' 17' ' ' ALA . 2.2 pp -57.43 -32.1 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 72.040000000000006 109.286 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.522 ' N ' HD12 ' B' ' 16' ' ' ILE . . . -63.8 -25.18 68.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 55.200000000000003 109.292 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' B' ' 15' ' ' LYS . . . -76.24 -51.82 11.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 14.32 109.285 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.03 -37.94 64.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 71.230000000000004 109.289 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -59.78 -50.16 74.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 72.030000000000001 109.309 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 73.0 110.366 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 110.327 -0.249 . . . . 71.239999999999995 110.327 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.581 ' O ' HD23 ' A' ' 5' ' ' LEU . 30.0 pt -89.69 -21.18 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 74.329999999999998 109.245 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.33 -30.78 67.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.409 1.068 . . . . 62.229999999999997 109.246 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.09 68.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 45.219999999999999 109.271 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 2' ' ' ILE . 0.3 OUTLIER -56.16 -32.05 63.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 72.430000000000007 109.332 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 4.7 tt0 -72.88 -37.85 67.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 64.019999999999996 110.377 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -28.71 61.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 74.040000000000006 109.367 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.18 -50.29 41.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 71.439999999999998 110.274 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.33 -35.05 60.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 65.310000000000002 109.395 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -58.33 -29.93 66.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 65.120000000000005 109.311 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.25 -61.92 2.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 54.350000000000001 109.318 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.699 HD12 HG21 ' B' ' 16' ' ' ILE . 3.0 mm? -59.05 -25.59 63.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 73.439999999999998 109.286 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -62.86 -36.5 83.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 64.420000000000002 110.288 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -70.87 -26.32 63.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 60.32 109.266 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.625 ' OE1' HD13 ' A' ' 12' ' ' LEU . 1.1 mp0 -76.34 -50.81 13.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 74.219999999999999 110.314 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.422 HD12 ' C ' ' A' ' 16' ' ' ILE . 2.1 pp -68.14 -30.28 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 72.409999999999997 109.306 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 13' ' ' GLU . . . -59.81 -24.46 64.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 75.420000000000002 109.268 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.75 -49.21 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 71.219999999999999 109.322 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.629 HD13 ' HB2' ' B' ' 19' ' ' LEU . 0.2 OUTLIER -53.51 -41.98 66.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 72.5 109.296 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -67.39 -49.07 65.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.414 1.071 . . . . 75.420000000000002 110.298 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 53.149999999999999 109.287 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.263 -0.643 . . . . 73.5 109.263 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 5.8 pt -74.55 -37.58 44.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 75.219999999999999 109.281 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.02 85.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 75.200000000000003 109.294 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.18 -39.46 68.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 71.040000000000006 109.345 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.765 ' C ' HD23 ' B' ' 5' ' ' LEU . 0.2 OUTLIER -57.6 -34.3 69.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 74.409999999999997 109.285 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.651 ' N ' HD23 ' B' ' 5' ' ' LEU . 1.8 tttt -64.18 -47.43 79.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.484 1.115 . . . . 74.109999999999999 109.292 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.98 -33.22 75.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 75.239999999999995 110.275 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.444 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 1.2 mptt -61.38 -54.85 38.31 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.608 1.193 . . . . 75.099999999999994 109.268 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.422 ' HA ' HD12 ' B' ' 12' ' ' LEU . 20.2 pt -61.03 -32.9 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 71.510000000000005 109.323 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.72 -23.54 62.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 75.109999999999999 109.279 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -72.55 -48.67 38.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 54.240000000000002 109.253 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' B' ' 9' ' ' ILE . 0.3 OUTLIER -74.46 -30.04 61.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 72.209999999999994 109.246 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -59.5 -28.97 67.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 73.219999999999999 109.25 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 0.7 OUTLIER -76.52 -37.95 55.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 70.129999999999995 110.227 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -54.59 22.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 64.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.699 HG21 HD12 ' A' ' 12' ' ' LEU . 2.2 pp -55.18 -32.48 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 62.140000000000001 109.255 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' B' ' 14' ' ' GLU . . . -60.12 -33.48 72.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 74.230000000000004 109.294 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.1 -57.76 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 62.109999999999999 109.258 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.629 ' HB2' HD13 ' A' ' 19' ' ' LEU . 1.5 tp -51.32 -40.33 58.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 74.129999999999995 109.34 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -52.15 66.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 62.409999999999997 109.323 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 74.209999999999994 110.296 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.491 ' O ' HD23 ' A' ' 5' ' ' LEU . 25.0 mt-10 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.304 -0.258 . . . . 62.520000000000003 110.304 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mt -72.33 -53.11 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 71.109999999999999 109.345 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.12 -21.12 59.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 62.420000000000002 109.341 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.01 -59.05 4.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 63.210000000000001 109.274 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.696 HD13 ' HB3' ' B' ' 5' ' ' LEU . 3.7 pp -61.0 -38.86 87.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 70.120000000000005 109.293 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -53.14 -35.25 59.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 72.150000000000006 110.351 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -75.09 -38.45 61.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 109.354 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -61.05 -54.49 44.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 75.129999999999995 110.322 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 pp -61.71 -25.6 37.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 75.340000000000003 109.308 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . -68.99 -25.95 64.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 60.200000000000003 109.353 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 14' ' ' LYS . . . -66.44 -35.16 79.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 62.240000000000002 109.324 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.708 HD12 ' CB ' ' B' ' 12' ' ' LEU . 5.2 tt -49.56 -37.44 27.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 62.530000000000001 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.588 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -65.2 -32.66 74.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 65.109999999999999 110.309 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -76.53 -42.96 41.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 65.030000000000001 109.331 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.41 -54.59 41.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 74.430000000000007 110.282 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.568 HG23 ' O ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -63.14 -26.14 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 75.420000000000002 109.346 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' A' ' 13' ' ' GLU . . . -70.85 -32.72 69.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 41.409999999999997 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.46 -62.19 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 74.209999999999994 109.288 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.492 ' C ' HD12 ' A' ' 19' ' ' LEU . 2.5 pp -55.54 -37.44 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 73.329999999999998 109.31 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.431 ' CB ' ' O ' ' A' ' 16' ' ' ILE . 25.1 tt0 -58.83 -52.83 64.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 71.049999999999997 110.249 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 tttm . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 71.25 109.261 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 7.2 mttt . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.273 -0.64 . . . . 72.239999999999995 109.273 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ILE . . . . . 0.619 ' O ' HD12 ' B' ' 5' ' ' LEU . 1.1 pp -60.95 -23.34 29.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 72.430000000000007 109.331 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.26 -25.5 66.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 74.230000000000004 109.372 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.93 -21.36 20.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 72.510000000000005 109.322 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.9 HD13 ' N ' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -52.53 -33.06 43.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 71.540000000000006 109.254 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.9 ' N ' HD13 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -67.39 -35.89 80.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 44.049999999999997 109.326 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -73.66 -45.32 53.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 75.329999999999998 110.296 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 3.3 mmtt -60.59 -53.87 52.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.064 . . . . 63.039999999999999 109.346 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.418 HD13 HD22 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -62.13 -33.25 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 74.010000000000005 109.34 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' B' ' 6' ' ' LYS . . . -64.36 -25.56 68.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.355 1.034 . . . . 74.230000000000004 109.274 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -74.8 -24.31 58.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 63.530000000000001 109.364 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.81 ' O ' HG23 ' B' ' 16' ' ' ILE . 0.0 OUTLIER -74.41 -32.01 62.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 63.140000000000001 109.305 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.471 ' N ' HD23 ' B' ' 12' ' ' LEU . 21.5 mtpt -69.91 -42.59 73.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 74.409999999999997 109.312 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -74.26 -30.3 62.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 44.229999999999997 110.285 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.429 ' HB3' HG22 ' A' ' 16' ' ' ILE . 4.9 mmtt -67.13 -51.57 52.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 71.040000000000006 109.289 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.81 HG23 ' O ' ' B' ' 12' ' ' LEU . 11.3 pt -63.07 -34.66 67.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 73.329999999999998 109.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.96 -32.54 15.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 72.400000000000006 109.27 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.53 -50.41 72.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 64.430000000000007 109.375 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.451 ' O ' HD13 ' B' ' 19' ' ' LEU . 1.3 tm? -61.93 -47.75 83.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 62.039999999999999 109.256 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -47.69 60.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 74.340000000000003 109.242 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 63.439999999999998 110.245 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.377 -0.231 . . . . 74.329999999999998 110.377 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.6 pt -72.57 -29.15 29.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 62.409999999999997 109.32 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.94 -25.3 63.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 74.230000000000004 109.312 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.95 -47.6 68.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 32.340000000000003 109.277 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.9 HD13 ' N ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -59.8 -42.89 94.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 74.439999999999998 109.284 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.9 ' N ' HD13 ' A' ' 5' ' ' LEU . 3.3 tt0 -58.22 -44.81 88.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 75.209999999999994 110.349 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -33.37 73.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 73.25 109.298 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.534 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 7.8 mm-40 -63.63 -54.84 29.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 75.299999999999997 110.305 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.468 HG23 HD22 ' A' ' 5' ' ' LEU . 48.4 pt -62.7 -42.58 96.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 75.340000000000003 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.403 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -56.62 -25.67 53.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 75.439999999999998 109.346 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 8' ' ' GLU . . . -71.53 -59.47 2.74 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.451 1.094 . . . . 33.539999999999999 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.747 HD13 ' C ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -45.82 -29.8 1.46 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.549 1.156 . . . . 71.510000000000005 109.273 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.38 -42.97 74.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 63.43 110.276 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -74.08 -27.46 60.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 63.240000000000002 109.311 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -68.55 -54.35 17.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 64.120000000000005 110.311 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.575 HG23 HD22 ' A' ' 12' ' ' LEU . 15.8 pt -60.21 -26.05 35.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 74.319999999999993 109.279 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.64 -27.4 67.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 73.340000000000003 109.303 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.64 -45.25 9.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 71.299999999999997 109.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.579 ' C ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -55.75 -46.22 77.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 44.140000000000001 109.34 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -70.35 -41.19 73.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 71.420000000000002 110.35 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 54.229999999999997 109.359 179.898 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' B' ' 4' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.249 -0.648 . . . . 73.340000000000003 109.249 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ILE . . . . . 0.423 ' HA ' HD12 ' B' ' 5' ' ' LEU . 3.9 mt -60.37 -44.6 96.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 74.120000000000005 109.313 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.23 -30.96 71.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 64.049999999999997 109.324 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' B' ' 1' ' ' LYS . . . -62.74 -48.89 77.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 70.120000000000005 109.313 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' B' ' 2' ' ' ILE . 0.8 OUTLIER -67.98 -32.63 73.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 70.099999999999994 109.297 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.54 ' O ' HG22 ' B' ' 9' ' ' ILE . 0.0 OUTLIER -59.95 -46.96 87.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 65.239999999999995 109.317 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.631 ' O ' ' HB3' ' B' ' 10' ' ' ALA . 1.0 OUTLIER -70.15 -46.51 64.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 74.329999999999998 110.268 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -50.94 -53.69 30.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 60.130000000000003 109.274 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.844 HD13 ' O ' ' B' ' 9' ' ' ILE . 0.1 OUTLIER -62.39 -32.92 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 60.420000000000002 109.282 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' B' ' 7' ' ' GLU . . . -55.18 -23.47 21.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 74.310000000000002 109.312 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.91 89.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 75.239999999999995 109.328 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.449 HD22 ' HG ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -77.81 -34.81 51.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 74.439999999999998 109.314 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.6 -34.45 26.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 74.409999999999997 109.298 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.44 -27.63 34.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.143 . . . . 70.510000000000005 110.289 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -67.87 -45.03 75.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 75.540000000000006 109.301 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 6.8 pt -71.23 -31.32 43.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 63.25 109.27 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.16 -28.89 8.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 62.450000000000003 109.326 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.44 -48.42 64.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 63.210000000000001 109.305 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.15 -35.59 75.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 65.430000000000007 109.42 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -51.18 58.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 71.349999999999994 109.364 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 73.319999999999993 110.24 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.268 -0.271 . . . . 61.140000000000001 110.268 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.596 ' HA ' HD12 ' A' ' 5' ' ' LEU . 1.5 pp -66.66 -21.23 28.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.506 1.129 . . . . 72.420000000000002 109.295 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.25 -21.65 59.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 52.439999999999998 109.353 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.65 -30.09 22.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 64.239999999999995 109.317 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 2' ' ' ILE . 16.7 mt -70.87 -41.19 71.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 52.200000000000003 109.264 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -74.75 -30.86 61.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 54.420000000000002 110.338 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 0.8 OUTLIER -69.46 -32.68 71.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 74.200000000000003 109.287 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.668 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.4 tt0 -68.06 -25.66 65.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 74.030000000000001 110.266 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.409 HD13 HG22 ' B' ' 9' ' ' ILE . 3.6 mm -54.14 -46.3 66.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.538 1.148 . . . . 74.439999999999998 109.335 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.43 -26.64 68.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.418 1.074 . . . . 72.129999999999995 109.319 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 8' ' ' GLU . . . -64.13 -55.35 22.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 54.439999999999998 109.311 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.509 HD11 ' HB ' ' B' ' 9' ' ' ILE . 0.8 OUTLIER -68.78 -23.13 64.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 71.230000000000004 109.372 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.91 ' O ' HG22 ' A' ' 16' ' ' ILE . 1.0 OUTLIER -72.08 -37.8 69.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 73.120000000000005 110.264 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.548 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 7.1 tttt -74.76 -34.04 62.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 62.130000000000003 109.307 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.14 -41.04 99.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 72.299999999999997 110.26 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.91 HG22 ' O ' ' A' ' 13' ' ' GLU . 7.2 tt -60.24 -25.4 33.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 71.230000000000004 109.267 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 14' ' ' LYS . . . -65.72 -24.27 66.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 75.030000000000001 109.256 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.16 -28.04 62.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 52.200000000000003 109.304 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.062 HD13 HD22 ' B' ' 19' ' ' LEU . 0.1 OUTLIER -53.56 -39.13 64.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 61.25 109.324 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.4 ' N ' ' HG ' ' A' ' 19' ' ' LEU . 4.0 tt0 -78.8 -57.42 3.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 70.409999999999997 110.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 63.439999999999998 109.294 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . 0.444 ' O ' ' HB3' ' B' ' 4' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.296 -0.631 . . . . 70.010000000000005 109.296 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp -68.19 -35.22 70.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 62.229999999999997 109.257 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.34 -29.68 68.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 74.209999999999994 109.237 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' B' ' 1' ' ' LYS . . . -53.38 -59.26 4.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 61.219999999999999 109.295 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.18 -44.76 78.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 72.329999999999998 109.289 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.97 -28.06 9.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 73.439999999999998 109.281 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' B' ' 10' ' ' ALA . 3.3 mt-10 -78.3 -48.0 16.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 74.409999999999997 110.309 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.44 -51.71 64.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.405 1.065 . . . . 53.439999999999998 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.509 ' HB ' HD11 ' A' ' 12' ' ' LEU . 40.4 pt -61.57 -30.97 49.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 72.420000000000002 109.311 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' B' ' 7' ' ' GLU . . . -67.7 -25.66 65.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 75.319999999999993 109.267 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.58 -47.89 13.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 64.549999999999997 109.302 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.81 -29.74 70.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.185 . . . . 74.549999999999997 109.29 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -67.74 -35.4 78.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 74.140000000000001 109.261 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -81.23 -30.86 34.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 64.439999999999998 110.309 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.19 -54.23 27.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 74.540000000000006 109.344 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 pp -63.32 -35.56 72.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 51.409999999999997 109.296 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.2 -29.99 71.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 50.439999999999998 109.287 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.99 -59.18 2.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 43.030000000000001 109.261 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 1.062 HD22 HD13 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -56.74 -32.68 65.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 75.030000000000001 109.337 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.45 -50.56 62.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.401 1.063 . . . . 73.109999999999999 109.233 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 75.239999999999995 110.254 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.341 -0.244 . . . . 71.299999999999997 110.341 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.8 pt -85.83 -25.9 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 53.219999999999999 109.297 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.92 -49.52 77.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 75.120000000000005 109.281 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.67 78.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 54.030000000000001 109.345 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.72 HD22 ' HB2' ' B' ' 5' ' ' LEU . 3.0 tp -55.92 -53.48 56.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 74.200000000000003 109.304 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -56.9 -33.89 67.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 74.209999999999994 110.292 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.87 -29.6 62.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 64.120000000000005 109.277 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.96 -51.81 23.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 65.510000000000005 110.322 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pt -66.29 -25.87 36.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.578 1.174 . . . . 74.109999999999999 109.308 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.12 -32.93 72.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 73.530000000000001 109.288 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.11 -44.37 30.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 75.530000000000001 109.368 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.523 HD21 ' HB3' ' B' ' 15' ' ' LYS . 1.4 tm? -45.31 -55.23 6.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 61.149999999999999 109.278 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.549 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 5.5 tt0 -55.04 -33.62 62.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 71.109999999999999 110.256 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -75.15 -27.2 59.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 72.120000000000005 109.26 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.55 -51.03 15.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 63.399999999999999 110.328 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.8 pt -68.95 -34.05 62.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 61.340000000000003 109.329 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 13' ' ' GLU . . . -51.21 -35.05 34.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 45.539999999999999 109.266 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.03 -38.88 61.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 60.439999999999998 109.32 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.403 ' C ' HD13 ' A' ' 19' ' ' LEU . 3.4 tm? -58.75 -50.31 74.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 71.430000000000007 109.323 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.52 -56.26 21.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 72.129999999999995 110.308 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 64.439999999999998 109.268 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.282 -0.636 . . . . 72.319999999999993 109.282 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . 0.588 ' HA ' HD23 ' B' ' 5' ' ' LEU . 35.1 pt -106.14 -38.07 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 71.040000000000006 109.269 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.42 -34.56 69.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 74.510000000000005 109.293 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.47 -46.25 60.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 60.240000000000002 109.357 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.72 ' HB2' HD22 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -56.76 -32.59 65.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 75.230000000000004 109.349 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -65.94 -34.03 77.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 54.43 109.265 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' B' ' 10' ' ' ALA . 1.4 mp0 -77.94 -33.81 51.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 62.140000000000001 110.327 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -48.02 83.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 52.039999999999999 109.328 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.76 ' HA ' HD23 ' B' ' 12' ' ' LEU . 45.5 pt -64.08 -35.98 75.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.605 1.191 . . . . 72.519999999999996 109.309 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' B' ' 7' ' ' GLU . . . -54.37 -41.59 69.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 55.299999999999997 109.303 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.67 -43.96 83.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.591 1.182 . . . . 74.519999999999996 109.313 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.76 HD23 ' HA ' ' B' ' 9' ' ' ILE . 0.1 OUTLIER -56.59 -32.2 65.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 75.230000000000004 109.327 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -37.16 76.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 72.129999999999995 109.306 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.612 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 12.8 mt-10 -73.85 -33.68 64.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 61.229999999999997 110.321 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.523 ' HB3' HD21 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -63.99 -53.49 49.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 75.329999999999998 109.302 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.494 HG23 ' O ' ' B' ' 12' ' ' LEU . 25.7 pt -55.78 -33.28 33.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 53.350000000000001 109.297 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' B' ' 14' ' ' GLU . . . -48.48 -31.8 6.91 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.53 1.144 . . . . 54.439999999999998 109.357 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.07 -56.72 6.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 72.329999999999998 109.351 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.415 HD12 ' O ' ' B' ' 19' ' ' LEU . 0.2 OUTLIER -51.72 -33.69 35.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 65.319999999999993 109.32 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -52.78 42.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 72.120000000000005 109.354 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.17 . . . . 74.340000000000003 110.372 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.302 -0.258 . . . . 63.340000000000003 110.302 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 25.0 mt -102.69 -43.87 9.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 75.140000000000001 109.334 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.78 -27.51 63.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 70.150000000000006 109.341 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.9 -33.6 74.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 31.109999999999999 109.259 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.5 mt -66.34 -35.57 80.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 61.32 109.324 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.9 -31.21 56.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.075 . . . . 64.439999999999998 110.296 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -74.08 -31.89 63.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 62.229999999999997 109.295 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.34 -54.77 27.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 71.019999999999996 110.364 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.711 ' CG2' HD13 ' B' ' 9' ' ' ILE . 2.0 pp -64.98 -36.76 78.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 73.329999999999998 109.345 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.89 -26.29 65.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 72.140000000000001 109.337 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.6 -49.88 13.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 61.439999999999998 109.34 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.838 ' HG ' HD13 ' B' ' 12' ' ' LEU . 1.2 mm? -58.26 -54.16 50.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 64.099999999999994 109.284 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -50.0 -38.94 39.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 71.439999999999998 110.315 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -37.51 79.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 73.120000000000005 109.342 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -65.1 -43.1 93.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 71.010000000000005 110.304 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.529 HG23 ' HB3' ' B' ' 19' ' ' LEU . 9.4 mm -73.73 -33.02 36.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 72.409999999999997 109.301 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.66 -24.72 35.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 50.409999999999997 109.28 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.84 -31.88 68.72 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.152 . . . . 64.109999999999999 109.248 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.462 ' HG ' HD13 ' B' ' 19' ' ' LEU . 3.9 mm? -72.6 -51.92 17.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 70.5 109.332 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.29 -53.81 53.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 73.420000000000002 110.257 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 60.409999999999997 109.346 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . 0.404 ' HB3' ' HB2' ' B' ' 4' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.281 -0.637 . . . . 64.5 109.281 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . 0.469 ' O ' HD22 ' B' ' 5' ' ' LEU . 15.4 mm -122.33 -55.89 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 73.040000000000006 109.255 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.92 -24.53 62.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 73.5 109.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.404 ' HB2' ' HB3' ' B' ' 1' ' ' LYS . . . -49.78 -60.65 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 42.130000000000003 109.247 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.653 ' N ' HD13 ' B' ' 5' ' ' LEU . 0.1 OUTLIER -53.93 -35.24 61.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 74.140000000000001 109.285 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -61.57 -37.14 82.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 74.230000000000004 109.265 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -75.03 -35.68 61.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 110.31 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.657 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 6.8 mptt -56.55 -29.46 62.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 73.040000000000006 109.332 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.711 HD13 ' CG2' ' A' ' 9' ' ' ILE . 47.9 mm -52.75 -42.59 42.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 75.319999999999993 109.353 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.41 -24.16 67.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 72.200000000000003 109.327 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -66.17 -38.34 87.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.107 . . . . 75.430000000000007 109.253 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.838 HD13 ' HG ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -63.4 -40.2 96.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 73.430000000000007 109.283 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -34.46 78.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 74.209999999999994 109.241 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 2.7 tt0 -77.67 -28.57 51.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 75.129999999999995 110.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -37.65 82.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 70.409999999999997 109.336 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 67.2 mt -60.01 -32.3 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 71.239999999999995 109.319 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' B' ' 14' ' ' GLU . . . -56.21 -45.73 79.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 63.32 109.251 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.72 -54.7 25.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 72.129999999999995 109.25 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.695 HD12 ' C ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -52.4 -50.46 62.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 74.030000000000001 109.301 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.407 ' N ' ' HG ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -49.19 -51.32 33.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 73.219999999999999 109.263 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 74.430000000000007 110.312 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.344 -0.243 . . . . 43.049999999999997 110.344 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.2 mp -114.63 -39.46 2.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.505 1.128 . . . . 64.040000000000006 109.302 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.65 -21.13 66.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.145 . . . . 72.540000000000006 109.316 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.9 -54.08 51.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 72.540000000000006 109.293 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.48 -39.99 74.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 70.150000000000006 109.305 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -66.84 -34.34 77.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 64.409999999999997 110.307 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.4 tttt -74.57 -31.02 61.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.394 1.059 . . . . 63.530000000000001 109.266 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.408 ' O ' HD23 ' A' ' 12' ' ' LEU . 5.6 mt-10 -69.83 -54.77 12.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 62.219999999999999 110.339 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.97 -37.57 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 74.209999999999994 109.29 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.34 -31.33 71.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 61.539999999999999 109.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.32 -49.26 64.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 74.209999999999994 109.315 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.8 ' HG ' HD13 ' B' ' 12' ' ' LEU . 4.1 mm? -61.34 -40.36 93.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 74.230000000000004 109.265 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.667 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 9.6 tt0 -49.22 -30.53 7.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 62.100000000000001 110.31 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -73.73 -42.09 61.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 64.219999999999999 109.282 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -54.72 25.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 60.240000000000002 110.333 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.614 HG21 ' HB3' ' B' ' 15' ' ' LYS . 1.1 pt -62.07 -32.82 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 74.230000000000004 109.284 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 13' ' ' GLU . . . -51.4 -32.23 25.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 63.32 109.276 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.17 -44.18 66.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 64.129999999999995 109.311 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.614 HD22 ' HB2' ' B' ' 19' ' ' LEU . 3.1 tp -53.42 -47.76 69.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 74.150000000000006 109.261 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.52 -56.0 24.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 73.439999999999998 110.279 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.327 -0.41 0 O-C-N 124.493 1.121 . . . . 52.43 109.293 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . 0.563 ' O ' HD22 ' B' ' 5' ' ' LEU . 2.3 tttm . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.298 -0.63 . . . . 70.200000000000003 109.298 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 mt -74.99 -49.37 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 60.43 109.293 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.05 -26.97 65.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 70.439999999999998 109.348 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.29 -63.22 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 70.120000000000005 109.316 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.563 HD22 ' O ' ' B' ' 1' ' ' LYS . 1.3 mm? -58.73 -43.41 90.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 73.200000000000003 109.29 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.727 ' HA ' HD12 ' B' ' 9' ' ' ILE . 0.4 OUTLIER -52.5 -31.93 37.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.010000000000005 109.337 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -77.22 -32.15 55.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 55.200000000000003 110.283 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -32.96 70.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.088 . . . . 64.230000000000004 109.336 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' B' ' 6' ' ' LYS . 55.3 mt -61.86 -31.14 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 65.450000000000003 109.3 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.83 -23.13 62.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 63.350000000000001 109.297 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.22 -48.13 10.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 74.310000000000002 109.218 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.874 ' O ' HG23 ' B' ' 16' ' ' ILE . 0.5 OUTLIER -60.77 -29.76 69.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 74.019999999999996 109.273 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.501 ' N ' HD12 ' B' ' 12' ' ' LEU . 7.8 mttp -72.67 -45.13 60.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 64.299999999999997 109.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -27.52 64.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 64.129999999999995 110.273 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.614 ' HB3' HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -75.56 -54.53 6.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 70.209999999999994 109.35 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.874 HG23 ' O ' ' B' ' 12' ' ' LEU . 16.8 pt -56.75 -32.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 73.420000000000002 109.263 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.21 -35.62 80.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 63.299999999999997 109.247 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.39 -59.6 4.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 41.43 109.337 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.638 HD13 ' C ' ' B' ' 19' ' ' LEU . 2.0 tm? -51.76 -46.64 64.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 75.319999999999993 109.301 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -51.63 40.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 75.340000000000003 109.298 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 74.030000000000001 110.323 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.334 -0.247 . . . . 61.140000000000001 110.334 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.7 mt -64.45 -58.34 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 71.519999999999996 109.305 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.53 -21.4 62.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 61.100000000000001 109.184 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.92 -37.35 62.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 63.030000000000001 109.288 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.871 HD22 ' HB3' ' B' ' 5' ' ' LEU . 0.3 OUTLIER -52.65 -42.08 64.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 71.439999999999998 109.361 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -58.63 -34.15 70.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 75.299999999999997 110.257 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -73.96 -28.18 61.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 65.329999999999998 109.242 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.75 -54.66 7.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 70.109999999999999 110.335 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pt -63.95 -25.21 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 64.010000000000005 109.314 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -63.41 -28.74 70.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 51.329999999999998 109.279 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.89 99.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 72.310000000000002 109.362 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.771 ' HB2' HD13 ' B' ' 12' ' ' LEU . 5.2 tp -51.81 -48.2 63.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 71.400000000000006 109.288 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -54.17 -37.14 64.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.379 1.05 . . . . 73.010000000000005 110.301 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.81 -28.25 60.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.158 . . . . 74.349999999999994 109.243 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -70.95 -52.99 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 71.319999999999993 110.303 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.496 HD12 ' C ' ' A' ' 16' ' ' ILE . 2.5 pp -61.73 -28.35 43.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 64.209999999999994 109.366 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.471 ' N ' HD12 ' A' ' 16' ' ' ILE . . . -65.57 -28.02 68.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 64.010000000000005 109.307 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.7 -46.89 12.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 63.32 109.271 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -54.49 -53.48 53.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 62.310000000000002 109.353 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.85 -49.09 79.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 75.310000000000002 110.234 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 73.329999999999998 109.272 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.2 mttt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.369 -0.604 . . . . 72.519999999999996 109.369 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 1.2 mp -87.65 -63.9 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 73.319999999999993 109.307 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.48 -27.08 46.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 55.039999999999999 109.29 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.98 -31.59 29.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.168 . . . . 72.430000000000007 109.269 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.871 ' HB3' HD22 ' A' ' 5' ' ' LEU . 2.2 pp -55.97 -41.4 74.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 70.540000000000006 109.254 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.531 ' N ' HD12 ' B' ' 5' ' ' LEU . 0.2 OUTLIER -54.16 -48.6 70.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 70.209999999999994 109.31 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.53 -46.65 89.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 72.549999999999997 110.369 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -43.97 74.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 74.340000000000003 109.245 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 69.1 mt -71.83 -32.66 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 71.120000000000005 109.295 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.07 -35.74 81.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 23.219999999999999 109.302 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.29 -44.37 68.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 61.310000000000002 109.228 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.771 HD13 ' HB2' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -65.79 -33.99 77.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 65.340000000000003 109.253 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -60.34 -30.78 69.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 75.230000000000004 109.273 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.686 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 2.0 tm-20 -81.44 -45.4 16.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 74.019999999999996 110.297 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.546 ' HD2' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -55.7 -51.65 66.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.525 1.14 . . . . 73.409999999999997 109.341 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 1.4 pp -62.31 -31.46 51.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 74.219999999999999 109.293 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' B' ' 14' ' ' GLU . . . -51.34 -41.41 60.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 74.019999999999996 109.323 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.62 -60.3 4.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 61.229999999999997 109.29 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.631 ' O ' HD22 ' B' ' 19' ' ' LEU . 0.4 OUTLIER -53.01 -31.27 40.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 72.219999999999999 109.333 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -47.43 81.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 71.329999999999998 109.253 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 74.400000000000006 110.287 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.324 -0.25 . . . . 61.329999999999998 110.324 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.5 pt -57.62 -26.86 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 54.310000000000002 109.292 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.11 -39.63 68.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 75.230000000000004 109.239 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.16 -58.14 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 61.399999999999999 109.268 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.782 HD13 ' HA ' ' B' ' 2' ' ' ILE . 0.5 OUTLIER -58.78 -41.96 87.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 33.32 109.309 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.48 -38.14 71.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 71.239999999999995 110.266 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.87 -25.76 62.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 71.209999999999994 109.248 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.599 ' O ' HD22 ' A' ' 12' ' ' LEU . 2.7 tt0 -67.25 -42.46 83.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 75.030000000000001 110.343 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.539 HG22 HG23 ' B' ' 9' ' ' ILE . 0.7 OUTLIER -65.98 -30.62 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.118 . . . . 71.420000000000002 109.244 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.406 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -63.61 -26.16 68.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 75.519999999999996 109.253 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.77 -37.86 62.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 64.549999999999997 109.329 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.599 HD22 ' O ' ' A' ' 8' ' ' GLU . 2.1 mm? -82.82 -20.84 34.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 74.510000000000005 109.275 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -36.91 70.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 42.340000000000003 110.349 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.518 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -76.37 -29.02 56.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 72.340000000000003 109.218 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.18 -54.67 16.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 73.019999999999996 110.342 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.523 ' HA ' HD23 ' A' ' 19' ' ' LEU . 2.3 pp -60.93 -26.58 39.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 71.430000000000007 109.283 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 14' ' ' LYS . . . -51.94 -37.83 54.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 72.099999999999994 109.283 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.51 -51.75 26.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 73.040000000000006 109.313 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -54.62 -27.2 37.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 72.129999999999995 109.333 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.19 -58.6 3.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 73.25 110.322 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mttm . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 53.25 109.277 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . 0.511 ' O ' HD22 ' B' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.275 -0.639 . . . . 73.409999999999997 109.275 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . 0.782 ' HA ' HD13 ' A' ' 5' ' ' LEU . 34.2 pt -52.35 -39.45 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 72.219999999999999 109.312 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.417 ' N ' HG13 ' B' ' 2' ' ' ILE . . . -71.85 -28.52 63.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 51.009999999999998 109.264 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' B' ' 1' ' ' LYS . . . -64.35 -56.16 16.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 71.340000000000003 109.301 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.511 HD22 ' O ' ' B' ' 1' ' ' LYS . 1.8 mm? -54.13 -35.39 62.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 70.420000000000002 109.256 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -31.94 50.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 72.030000000000001 109.321 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -78.32 -31.64 48.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 73.319999999999993 110.281 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.826 ' O ' HD22 ' B' ' 12' ' ' LEU . 2.5 mmmt -69.67 -54.9 11.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.535 1.147 . . . . 73.540000000000006 109.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.539 HG23 HG22 ' A' ' 9' ' ' ILE . 2.5 pp -56.14 -39.26 57.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 72.010000000000005 109.303 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.25 -29.53 66.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.592 1.182 . . . . 75.120000000000005 109.289 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -62.22 -65.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.413 1.071 . . . . 44.409999999999997 109.28 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.826 HD22 ' O ' ' B' ' 8' ' ' LYS . 0.9 OUTLIER -53.83 -37.38 63.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 61.210000000000001 109.259 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -51.97 -31.47 29.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 65.409999999999997 109.295 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.29 -31.85 38.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 72.219999999999999 110.275 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.469 ' O ' ' HB3' ' B' ' 18' ' ' ALA . 2.3 mmtt -68.21 -54.71 15.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 62.229999999999997 109.267 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -38.91 76.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 70.519999999999996 109.258 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.03 -31.41 29.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.5 1.125 . . . . 64.519999999999996 109.304 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' B' ' 15' ' ' LYS . . . -63.96 -59.67 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 73.019999999999996 109.329 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.437 ' O ' HD22 ' B' ' 19' ' ' LEU . 2.2 tm? -53.61 -33.91 56.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 63.210000000000001 109.276 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -64.29 -44.24 92.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 75.150000000000006 109.29 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 73.209999999999994 110.327 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.628 ' N ' HG21 ' B' ' 2' ' ' ILE . 10.0 mm-40 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.363 -0.236 . . . . 71.430000000000007 110.363 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.768 HG22 HD11 ' B' ' 5' ' ' LEU . 13.9 pt -92.07 -25.73 5.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 52.420000000000002 109.325 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.38 -22.97 67.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.145 . . . . 43.420000000000002 109.366 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.02 -33.5 68.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.413 1.07 . . . . 52.020000000000003 109.248 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.764 ' O ' HG23 ' A' ' 9' ' ' ILE . 5.1 tp -64.82 -31.72 73.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 74.299999999999997 109.289 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -46.85 67.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 74.319999999999993 110.282 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -27.73 61.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 63.329999999999998 109.336 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.547 ' OE1' HG21 ' B' ' 9' ' ' ILE . 9.0 mm-40 -70.62 -52.18 23.06 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.504 1.128 . . . . 74.129999999999995 110.293 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.764 HG23 ' O ' ' A' ' 5' ' ' LEU . 35.9 pt -57.01 -32.5 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 72.340000000000003 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.56 -26.91 46.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 75.150000000000006 109.366 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 14' ' ' LYS . . . -72.29 -47.6 48.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 62.43 109.228 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.79 HD13 ' N ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -43.61 -38.87 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 74.530000000000001 109.316 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.79 ' N ' HD13 ' A' ' 12' ' ' LEU . 20.1 tt0 -68.02 -44.54 76.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 74.340000000000003 110.3 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' ALA . 1.4 tttt -65.99 -25.56 67.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 73.099999999999994 109.28 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -70.85 -51.55 25.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 74.120000000000005 110.272 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 12' ' ' LEU . 0.8 OUTLIER -68.31 -26.61 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 71.409999999999997 109.285 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.66 -27.75 12.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 72.230000000000004 109.293 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.26 -43.4 23.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 71.340000000000003 109.334 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.842 ' HG ' HD13 ' B' ' 19' ' ' LEU . 0.1 OUTLIER -54.5 -45.98 73.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 60.420000000000002 109.289 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.753 ' N ' HD13 ' A' ' 19' ' ' LEU . 3.4 tt0 -71.55 -46.72 58.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 74.439999999999998 110.392 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 70.439999999999998 109.291 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.318 -0.623 . . . . 73.319999999999993 109.318 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . 0.628 HG21 ' N ' ' A' ' 1' ' ' GLU . 1.3 mt -115.88 -50.99 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 72.209999999999994 109.275 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.99 -29.4 65.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 64.420000000000002 109.248 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.85 -28.66 66.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.183 . . . . 73.0 109.313 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.768 HD11 HG22 ' A' ' 2' ' ' ILE . 13.1 mt -74.85 -34.4 62.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 63.439999999999998 109.29 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.722 ' HA ' HD12 ' B' ' 9' ' ' ILE . 25.1 tptt -55.47 -50.38 70.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 63.32 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -58.08 -33.71 69.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 54.520000000000003 110.316 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.509 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 4.0 tttt -58.11 -51.36 70.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 74.120000000000005 109.319 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.779 HG22 ' HD2' ' B' ' 13' ' ' LYS . 4.6 mt -53.89 -41.48 49.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 75.140000000000001 109.323 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.51 -26.2 65.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.59 1.182 . . . . 71.129999999999995 109.326 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -69.34 -40.01 77.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 62.310000000000002 109.315 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' B' ' 9' ' ' ILE . 0.7 OUTLIER -77.38 -39.85 45.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 74.310000000000002 109.281 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.779 ' HD2' HG22 ' B' ' 9' ' ' ILE . 2.4 mttt -57.21 -35.92 70.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 74.25 109.304 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.528 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 0.5 OUTLIER -66.86 -35.86 81.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 72.120000000000005 110.361 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -59.51 -50.61 73.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 54.340000000000003 109.313 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.641 HG12 HD12 ' B' ' 19' ' ' LEU . 0.0 OUTLIER -67.43 -31.03 50.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 74.430000000000007 109.352 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' B' ' 14' ' ' GLU . . . -51.65 -25.98 8.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 71.209999999999994 109.265 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.02 -33.3 33.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 61.229999999999997 109.261 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.842 HD13 ' HG ' ' A' ' 19' ' ' LEU . 17.2 mt -70.26 -44.51 68.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 64.420000000000002 109.333 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.449 ' CG ' ' HA ' ' B' ' 17' ' ' ALA . 0.0 OUTLIER -71.33 -30.34 66.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 74.420000000000002 109.276 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 63.140000000000001 110.261 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.343 -0.243 . . . . 62.530000000000001 110.343 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.9 mm -80.06 -27.93 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 72.129999999999995 109.27 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.66 -24.78 56.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 53.020000000000003 109.272 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.77 -44.38 90.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 73.549999999999997 109.344 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 mt -64.65 -31.91 73.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 73.219999999999999 109.254 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -39.27 70.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 54.020000000000003 110.287 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.557 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -74.49 -26.48 60.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 64.140000000000001 109.325 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.58 -49.75 76.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 74.219999999999999 110.344 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.448 HG23 HG22 ' B' ' 9' ' ' ILE . 1.0 OUTLIER -56.06 -27.84 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 64.230000000000004 109.293 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . -70.48 -33.63 71.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 73.230000000000004 109.29 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.54 -60.56 2.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 72.019999999999996 109.334 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.617 HD23 ' O ' ' B' ' 9' ' ' ILE . 2.0 mp -47.9 -46.67 31.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 71.239999999999995 109.323 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -57.45 -35.03 69.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 63.43 110.243 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.542 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -69.08 -37.7 78.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 72.340000000000003 109.302 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -58.56 -53.9 53.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 71.299999999999997 110.324 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.518 ' CD1' HD23 ' A' ' 19' ' ' LEU . 8.3 tp -64.5 -27.38 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 73.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 14' ' ' LYS . . . -59.65 -32.19 70.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 74.409999999999997 109.321 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.55 -33.22 64.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 74.209999999999994 109.286 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.518 HD23 ' CD1' ' A' ' 16' ' ' ILE . 4.7 tp -65.65 -60.72 2.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 75.400000000000006 109.297 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -52.33 -55.95 18.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 74.109999999999999 110.303 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 61.020000000000003 109.245 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.315 -0.624 . . . . 75.340000000000003 109.315 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 pt -99.92 -36.93 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 73.540000000000006 109.26 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.95 -32.6 67.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 73.340000000000003 109.294 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.53 -58.48 4.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 71.310000000000002 109.231 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.456 ' O ' HG23 ' B' ' 9' ' ' ILE . 0.9 OUTLIER -62.47 -32.99 73.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 72.400000000000006 109.291 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -63.93 -31.58 72.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 74.430000000000007 109.25 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -77.76 -31.21 51.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 62.420000000000002 110.261 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.587 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 17.8 mttp -71.98 -54.28 10.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 73.540000000000006 109.309 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.617 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.9 pp -56.88 -37.26 53.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 75.099999999999994 109.307 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.78 -23.09 62.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 65.019999999999996 109.341 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -65.12 -52.02 57.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 64.319999999999993 109.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.528 HD22 ' N ' ' B' ' 12' ' ' LEU . 2.6 mm? -70.56 -30.97 67.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 64.030000000000001 109.321 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.655 ' O ' ' HB2' ' B' ' 17' ' ' ALA . 0.0 OUTLIER -54.97 -30.58 59.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 75.140000000000001 109.362 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.53 -28.18 51.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 74.310000000000002 110.343 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.447 ' C ' HD13 ' A' ' 16' ' ' ILE . 1.2 mtpp -73.77 -50.5 20.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 75.219999999999999 109.309 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.408 HG13 ' N ' ' B' ' 17' ' ' ALA . 1.2 pp -70.57 -32.07 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.404 1.065 . . . . 74.549999999999997 109.345 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' B' ' 13' ' ' LYS . . . -47.94 -36.4 12.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 72.340000000000003 109.287 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -47.99 60.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 70.409999999999997 109.362 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.44 ' HB2' HD22 ' A' ' 19' ' ' LEU . 1.5 tm? -52.62 -51.91 57.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 50.130000000000003 109.322 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -51.38 -50.08 60.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 74.140000000000001 109.275 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 74.019999999999996 110.289 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.338 -0.245 . . . . 52.409999999999997 110.338 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.0 mt -75.73 -54.4 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 54.009999999999998 109.281 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.94 -33.92 65.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 72.340000000000003 109.318 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.07 -29.61 69.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 53.219999999999999 109.287 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.884 HD13 ' HB2' ' B' ' 5' ' ' LEU . 0.2 OUTLIER -61.51 -36.19 79.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 62.200000000000003 109.216 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -68.61 -39.24 80.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 71.129999999999995 110.303 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -25.64 59.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 73.209999999999994 109.248 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -75.54 -54.51 6.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 64.329999999999998 110.295 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.427 HD12 ' N ' ' A' ' 10' ' ' ALA . 2.7 pp -57.5 -34.97 48.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 74.129999999999995 109.296 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.427 ' N ' HD12 ' A' ' 9' ' ' ILE . . . -65.8 -38.33 88.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.567 1.167 . . . . 74.349999999999994 109.302 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 8' ' ' GLU . . . -54.71 -64.97 0.66 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.141 . . . . 74.510000000000005 109.339 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 12' ' ' LEU . 2.6 mm? -54.04 -42.85 69.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 63.210000000000001 109.294 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 10.4 tt0 -57.65 -35.72 70.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 63.240000000000002 110.297 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.49 -27.16 64.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 52.219999999999999 109.292 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -77.23 -49.0 16.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 71.510000000000005 110.329 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.515 ' C ' HD12 ' A' ' 16' ' ' ILE . 1.5 pp -70.38 -27.6 32.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.422 1.077 . . . . 75.239999999999995 109.338 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 13' ' ' GLU . . . -60.95 -31.96 71.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 73.420000000000002 109.294 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.23 -29.43 62.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 51.130000000000003 109.33 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.851 HD13 ' HB2' ' B' ' 19' ' ' LEU . 6.7 tp -67.24 -58.54 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 71.540000000000006 109.248 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -53.06 -56.42 16.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 75.099999999999994 110.319 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 75.129999999999995 109.293 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . 0.428 ' O ' ' HB3' ' B' ' 4' ' ' ALA . 2.1 tptt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.341 -0.615 . . . . 70.319999999999993 109.341 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . 0.542 ' HA ' HD23 ' B' ' 5' ' ' LEU . 1.3 pt -52.87 -37.46 25.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 71.340000000000003 109.326 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.52 -30.04 71.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 53.450000000000003 109.23 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' B' ' 1' ' ' LYS . . . -73.25 -29.03 62.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 73.439999999999998 109.24 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.884 ' HB2' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -69.51 -32.44 71.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 74.099999999999994 109.312 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -63.71 -36.61 84.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 65.040000000000006 109.333 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.43 -32.03 48.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 53.329999999999998 110.245 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.566 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 15.7 mttt -66.64 -54.88 18.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 64.049999999999997 109.311 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.681 ' HA ' HD12 ' B' ' 12' ' ' LEU . 2.8 pp -55.1 -44.98 76.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 54.049999999999997 109.335 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.676 ' N ' HD12 ' B' ' 9' ' ' ILE . . . -60.35 -27.36 67.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 70.439999999999998 109.33 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -70.86 -52.89 17.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 73.209999999999994 109.276 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' B' ' 9' ' ' ILE . 0.3 OUTLIER -64.44 -29.77 70.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 65.030000000000001 109.279 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -71.67 -35.13 70.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 72.420000000000002 109.293 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -29.79 63.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 72.049999999999997 110.369 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.35 -54.67 6.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 74.150000000000006 109.239 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.549 ' CD1' HD23 ' B' ' 19' ' ' LEU . 0.3 OUTLIER -57.1 -34.08 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 63.420000000000002 109.32 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.44 -33.59 59.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 44.109999999999999 109.279 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.74 -49.12 67.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 62.030000000000001 109.312 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.851 ' HB2' HD13 ' A' ' 19' ' ' LEU . 3.7 tp -58.65 -44.71 90.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 44.509999999999998 109.264 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -44.15 71.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 74.25 109.297 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 74.209999999999994 110.329 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.364 -0.236 . . . . 73.510000000000005 110.364 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp -63.08 -23.32 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 75.530000000000001 109.242 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.94 -28.77 63.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 73.209999999999994 109.258 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.14 -41.81 57.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 72.540000000000006 109.264 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.403 ' CD2' HG23 ' B' ' 2' ' ' ILE . 2.7 mm? -70.57 -41.39 72.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 74.340000000000003 109.296 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -61.44 -31.76 71.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 75.230000000000004 110.274 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -69.59 -32.87 71.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.085 . . . . 72.230000000000004 109.225 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.625 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.7 mt-10 -65.44 -30.06 70.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.485 1.116 . . . . 70.209999999999994 110.337 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.7 mt -56.47 -50.53 72.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 72.5 109.318 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.79 -26.44 67.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 60.340000000000003 109.329 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 8' ' ' GLU . . . -66.25 -61.76 1.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 72.299999999999997 109.313 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.569 HD22 ' O ' ' A' ' 8' ' ' GLU . 2.4 mm? -59.17 -30.77 68.42 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.509 1.131 . . . . 52.329999999999998 109.245 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.14 -35.35 76.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 71.109999999999999 110.301 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -70.16 -26.46 63.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 75.450000000000003 109.276 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.596 ' CD ' HD21 ' B' ' 19' ' ' LEU . 0.9 OUTLIER -64.18 -52.48 58.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 72.329999999999998 110.311 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.5 pt -69.11 -27.68 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 62.140000000000001 109.268 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.36 -32.15 69.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 71.439999999999998 109.305 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.49 -46.29 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 61.030000000000001 109.304 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.492 HD13 ' C ' ' A' ' 19' ' ' LEU . 1.8 tm? -56.39 -58.61 7.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 72.030000000000001 109.239 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.444 ' N ' HD13 ' A' ' 19' ' ' LEU . 19.1 tt0 -53.78 -41.02 66.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 64.329999999999998 110.294 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 tptt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 74.200000000000003 109.296 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . 0.476 ' O ' HD22 ' B' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.2 -0.666 . . . . 70.200000000000003 109.2 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . 0.403 HG23 ' CD2' ' A' ' 5' ' ' LEU . 47.4 mt -50.75 -32.08 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 45.200000000000003 109.287 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.29 -33.54 73.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 70.329999999999998 109.307 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' B' ' 1' ' ' LYS . . . -62.89 -42.97 99.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 43.240000000000002 109.321 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.478 ' H ' HD22 ' B' ' 5' ' ' LEU . 2.4 mm? -72.42 -43.81 63.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 72.549999999999997 109.335 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -53.03 -41.48 64.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 52.229999999999997 109.271 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -38.46 80.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 73.329999999999998 110.284 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.413 ' O ' HD22 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -54.3 -52.74 60.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 44.149999999999999 109.318 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.454 HG21 ' HB2' ' A' ' 8' ' ' GLU . 45.6 pt -63.73 -31.49 53.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.172 . . . . 74.430000000000007 109.309 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.11 -26.01 65.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 71.420000000000002 109.316 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.81 -51.67 31.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 109.232 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.413 HD22 ' O ' ' B' ' 8' ' ' LYS . 1.2 mm? -67.07 -34.32 77.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 71.519999999999996 109.324 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.55 -30.09 19.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 74.010000000000005 109.287 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -76.77 -30.29 56.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 72.239999999999995 110.334 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -74.89 -54.28 7.54 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.526 1.141 . . . . 62.100000000000001 109.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 pp -57.89 -32.2 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 75.329999999999998 109.308 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.22 -27.69 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.397 1.061 . . . . 74.109999999999999 109.281 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.68 -51.55 7.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 55.409999999999997 109.322 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.596 HD21 ' CD ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -53.4 -29.72 36.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 71.150000000000006 109.289 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -68.99 -48.46 63.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 74.019999999999996 109.289 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 63.149999999999999 110.293 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.319 -0.252 . . . . 64.209999999999994 110.319 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.719 ' O ' HD12 ' A' ' 5' ' ' LEU . 32.7 pt -80.82 -20.75 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 73.319999999999993 109.274 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.29 -22.06 64.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 55.219999999999999 109.308 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.09 -20.62 64.22 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 45.140000000000001 109.3 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.851 HD13 ' N ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -53.65 -30.88 45.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 72.310000000000002 109.275 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.851 ' N ' HD13 ' A' ' 5' ' ' LEU . 1.8 mt-10 -49.96 -32.16 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 74.230000000000004 110.319 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.94 -41.11 71.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 75.420000000000002 109.263 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.552 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.8 mt-10 -60.35 -29.82 69.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 64.329999999999998 110.351 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.57 HD11 HD23 ' A' ' 5' ' ' LEU . 9.2 mm -64.05 -48.22 86.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 71.230000000000004 109.33 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.13 -26.04 65.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 73.450000000000003 109.271 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 8' ' ' GLU . . . -53.97 -56.25 19.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 50.420000000000002 109.306 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.29 -37.67 66.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.106 . . . . 73.049999999999997 109.309 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.638 ' HA ' HD22 ' B' ' 12' ' ' LEU . 2.9 tt0 -52.62 -38.17 59.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 72.129999999999995 110.311 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.498 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -72.6 -32.13 65.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 71.099999999999994 109.279 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.72 -51.24 63.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 65.219999999999999 110.338 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.412 HG21 ' HB3' ' B' ' 15' ' ' LYS . 4.5 pt -65.02 -28.87 45.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 63.340000000000003 109.264 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 14' ' ' LYS . . . -52.71 -27.93 19.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 62.5 109.324 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.16 -47.89 32.87 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.09 . . . . 73.109999999999999 109.289 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 tp -54.2 -52.11 62.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 72.140000000000001 109.266 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -53.2 -58.12 8.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 72.219999999999999 110.298 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 75.439999999999998 109.262 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.314 -0.624 . . . . 71.420000000000002 109.314 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -45.89 -38.21 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 75.319999999999993 109.315 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.99 -41.76 67.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.171 . . . . 72.329999999999998 109.29 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.18 -61.8 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 61.229999999999997 109.312 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.679 ' HB2' HD23 ' A' ' 5' ' ' LEU . 1.8 pp -54.17 -34.1 59.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 64.129999999999995 109.317 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -63.66 -36.34 83.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 55.130000000000003 109.285 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -77.92 -32.27 51.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 72.400000000000006 110.315 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -48.69 78.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 73.5 109.256 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.407 HG13 ' N ' ' B' ' 10' ' ' ALA . 1.1 pt -71.74 -31.06 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 63.539999999999999 109.312 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.407 ' N ' HG13 ' B' ' 9' ' ' ILE . . . -51.68 -32.79 31.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 62.329999999999998 109.257 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.92 -61.8 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 62.399999999999999 109.315 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.638 HD22 ' HA ' ' A' ' 13' ' ' GLU . 4.0 mt -55.96 -29.8 60.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 72.120000000000005 109.307 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' B' ' 17' ' ' ALA . 12.5 ttmt -64.86 -38.39 90.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 62.43 109.322 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.84 -29.73 62.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 71.530000000000001 110.282 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.412 ' HB3' HG21 ' A' ' 16' ' ' ILE . 4.7 tptt -67.51 -53.14 31.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 64.340000000000003 109.308 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -68.1 -31.67 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 74.519999999999996 109.281 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' B' ' 13' ' ' LYS . . . -49.93 -27.02 4.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 41.340000000000003 109.214 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.52 -34.23 35.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 72.450000000000003 109.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' B' ' 16' ' ' ILE . 16.8 tp -65.01 -50.9 64.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 53.109999999999999 109.287 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.41 -52.99 41.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 74.430000000000007 109.31 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 55.32 110.324 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.341 -0.244 . . . . 43.049999999999997 110.341 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 pp -101.73 -32.77 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 75.219999999999999 109.337 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.0 -22.19 65.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 62.310000000000002 109.322 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.7 -50.06 47.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 73.239999999999995 109.3 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 5' ' ' LEU . 3.3 mm? -61.78 -38.12 86.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 74.150000000000006 109.294 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.583 ' HG3' HD12 ' B' ' 5' ' ' LEU . 3.4 tt0 -59.72 -45.37 92.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 74.099999999999994 110.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.39 -25.5 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.627 1.204 . . . . 74.430000000000007 109.26 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.39 -40.52 64.25 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 71.530000000000001 110.313 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 0.8 OUTLIER -58.26 -25.52 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 72.129999999999995 109.346 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.31 -34.45 75.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 75.109999999999999 109.27 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.01 98.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 74.5 109.282 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.436 ' CD2' HG23 ' B' ' 9' ' ' ILE . 3.3 mm? -70.86 -25.81 62.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 51.439999999999998 109.261 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.667 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -65.82 -36.48 83.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 70.230000000000004 110.185 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -69.09 -27.09 65.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 74.329999999999998 109.26 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.493 ' HB3' HG21 ' B' ' 16' ' ' ILE . 0.4 OUTLIER -70.3 -26.75 63.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 63.109999999999999 110.342 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' A' ' 13' ' ' GLU . 38.2 mt -67.16 -31.08 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 64.109999999999999 109.314 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.86 -39.99 76.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 32.409999999999997 109.271 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.94 -43.27 8.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.183 . . . . 72.340000000000003 109.323 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.875 HD22 HD13 ' B' ' 19' ' ' LEU . 4.5 tp -53.32 -63.02 1.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.073 . . . . 75.299999999999997 109.381 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.61 -59.17 4.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.542 1.151 . . . . 61.549999999999997 110.354 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 73.340000000000003 109.249 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.313 -0.625 . . . . 71.519999999999996 109.313 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 2.0 pp -112.53 -34.0 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 73.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.29 -25.21 62.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 73.140000000000001 109.321 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.34 -59.09 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 72.120000000000005 109.215 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.583 HD12 ' HG3' ' A' ' 6' ' ' GLU . 2.9 mm? -56.14 -39.03 71.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 72.109999999999999 109.307 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.767 ' HA ' HD12 ' B' ' 9' ' ' ILE . 6.2 mttt -50.84 -44.91 59.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 73.430000000000007 109.299 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.26 -31.55 71.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 75.319999999999993 110.287 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.652 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 9.5 ttmt -66.11 -33.39 75.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 43.439999999999998 109.267 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.767 HD12 ' HA ' ' B' ' 6' ' ' LYS . 39.6 mt -62.6 -49.05 85.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 74.430000000000007 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.32 -23.53 65.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 72.530000000000001 109.294 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -61.7 -66.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 73.400000000000006 109.29 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.535 HD12 HD11 ' A' ' 16' ' ' ILE . 3.2 mm? -59.61 -29.71 68.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 73.519999999999996 109.279 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 19.9 tttm -65.26 -34.05 77.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 72.450000000000003 109.261 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.49 -36.99 28.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 71.030000000000001 110.327 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -63.23 -54.18 41.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 60.030000000000001 109.284 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.493 HG21 ' HB3' ' A' ' 15' ' ' GLU . 2.1 pp -55.24 -33.6 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 73.109999999999999 109.244 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.6 -35.9 82.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 63.219999999999999 109.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.92 -33.58 76.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.126 . . . . 53.409999999999997 109.319 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.875 HD13 HD22 ' A' ' 19' ' ' LEU . 12.3 mt -75.91 -36.15 59.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 73.510000000000005 109.324 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -52.63 60.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 72.439999999999998 109.355 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 74.140000000000001 110.289 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.326 -0.25 . . . . 74.109999999999999 110.326 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.4 pt -123.22 -44.92 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 72.510000000000005 109.345 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.92 -24.23 50.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 63.210000000000001 109.305 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.27 -28.95 38.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 63.43 109.29 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.754 ' C ' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -58.18 -43.27 87.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 74.549999999999997 109.309 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 6.3 mt-10 -75.07 -35.92 61.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 75.299999999999997 110.312 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -68.52 -26.15 65.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 75.319999999999993 109.325 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.91 -52.9 8.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 65.109999999999999 110.305 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 pt -69.43 -25.23 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 70.430000000000007 109.362 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -50.48 -28.81 9.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 71.200000000000003 109.328 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 14' ' ' LYS . . . -64.4 -38.52 91.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 64.230000000000004 109.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.568 HD23 HG23 ' B' ' 16' ' ' ILE . 3.0 tm? -44.41 -49.61 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 64.109999999999999 109.291 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -54.02 -38.07 64.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 63.240000000000002 110.306 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -75.15 -26.95 59.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 72.150000000000006 109.309 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.87 -52.22 21.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.079 . . . . 64.319999999999993 110.343 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.4 pt -64.72 -32.64 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 64.319999999999993 109.323 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.61 -27.3 38.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 63.439999999999998 109.305 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.77 -45.51 14.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 55.340000000000003 109.326 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.475 HD22 ' HB2' ' B' ' 19' ' ' LEU . 1.4 tp -53.94 -55.0 31.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 65.049999999999997 109.301 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -60.85 -51.14 70.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 74.519999999999996 110.306 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.4 tttt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 75.25 109.255 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.268 -0.642 . . . . 63.149999999999999 109.268 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 pt -106.89 -28.35 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.497 1.123 . . . . 64.430000000000007 109.344 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.27 -31.91 73.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 71.129999999999995 109.332 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.87 -20.86 38.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 72.219999999999999 109.309 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.914 HD13 ' N ' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -67.82 -39.12 83.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 54.310000000000002 109.281 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.914 ' N ' HD13 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -74.76 -44.57 49.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 74.439999999999998 109.377 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' B' ' 10' ' ' ALA . 1.8 mt-10 -54.37 -49.37 69.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 75.409999999999997 110.335 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.83 -51.43 69.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 51.240000000000002 109.331 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.494 HG23 HD23 ' B' ' 12' ' ' LEU . 7.8 mm -57.62 -31.05 38.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.157 . . . . 52.229999999999997 109.269 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' B' ' 7' ' ' GLU . . . -68.11 -36.55 79.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 73.450000000000003 109.286 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.32 -33.19 72.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 74.200000000000003 109.271 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.494 HD23 HG23 ' B' ' 9' ' ' ILE . 0.1 OUTLIER -65.2 -40.82 94.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 64.129999999999995 109.3 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' B' ' 17' ' ' ALA . 7.5 tttt -69.45 -33.69 73.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 63.409999999999997 109.254 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.93 -30.06 58.58 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.491 1.119 . . . . 74.129999999999995 110.268 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -75.19 -54.63 6.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 72.450000000000003 109.331 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.568 HG23 HD23 ' A' ' 12' ' ' LEU . 2.6 pp -59.63 -34.2 54.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 74.150000000000006 109.337 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' B' ' 13' ' ' LYS . . . -49.09 -43.79 41.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 52.350000000000001 109.275 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.28 -52.74 60.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 64.230000000000004 109.324 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.944 HD22 ' O ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -55.23 -43.67 74.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.168 . . . . 74.310000000000002 109.3 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.429 ' N ' HD13 ' B' ' 19' ' ' LEU . 0.7 OUTLIER -57.11 -49.3 76.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 74.430000000000007 109.324 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 64.200000000000003 110.332 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.283 -0.266 . . . . 43.049999999999997 110.283 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.469 ' O ' HD12 ' A' ' 5' ' ' LEU . 45.1 pt -88.85 -22.29 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 73.310000000000002 109.321 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.02 -23.57 64.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 61.409999999999997 109.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.61 -21.05 24.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 64.25 109.262 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.894 HD13 ' N ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -54.67 -31.95 58.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 72.420000000000002 109.224 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.894 ' N ' HD13 ' A' ' 5' ' ' LEU . 2.2 tt0 -70.79 -33.3 70.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 73.030000000000001 110.262 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -73.68 -36.92 65.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 54.149999999999999 109.244 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.1 mt-10 -65.51 -54.84 22.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 62.43 110.304 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.798 HG23 HD11 ' B' ' 12' ' ' LEU . 85.6 mt -54.6 -39.19 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 73.140000000000001 109.301 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.82 -26.18 65.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 72.150000000000006 109.28 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 8' ' ' GLU . . . -71.49 -50.24 33.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 61.409999999999997 109.325 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -47.29 78.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 73.519999999999996 109.224 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.959 ' HA ' HD12 ' A' ' 16' ' ' ILE . 11.5 tt0 -56.25 -50.57 70.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 74.030000000000001 110.323 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -52.84 -25.27 10.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 74.310000000000002 109.265 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 2.8 tt0 -79.37 -39.71 31.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.416 1.073 . . . . 73.430000000000007 110.286 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.959 HD12 ' HA ' ' A' ' 13' ' ' GLU . 4.7 mt -67.47 -52.97 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 71.049999999999997 109.267 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.17 -27.95 9.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 73.219999999999999 109.244 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 15' ' ' GLU . . . -69.31 -46.04 68.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 72.430000000000007 109.267 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.752 ' C ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.53 -32.01 73.34 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.544 1.153 . . . . 70.120000000000005 109.251 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.416 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -70.09 -58.52 3.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 75.129999999999995 110.324 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 74.319999999999993 109.291 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.314 -0.624 . . . . 65.450000000000003 109.314 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 21.6 pt -73.87 -37.9 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 75.430000000000007 109.259 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.46 -27.77 64.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 54.5 109.344 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.42 -62.68 1.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 73.519999999999996 109.278 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.885 HD22 ' CB ' ' A' ' 5' ' ' LEU . 3.6 pp -58.11 -33.46 69.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 75.150000000000006 109.319 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -32.5 74.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 52.210000000000001 109.273 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.516 ' O ' ' HB3' ' B' ' 10' ' ' ALA . 23.1 tt0 -78.35 -46.85 19.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.401 1.063 . . . . 63.109999999999999 110.254 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -55.41 -54.83 38.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 55.140000000000001 109.326 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.446 ' CG1' ' O ' ' B' ' 5' ' ' LEU . 1.6 pp -56.12 -30.99 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 63.439999999999998 109.296 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' B' ' 7' ' ' GLU . . . -68.04 -36.53 80.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 74.409999999999997 109.248 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.39 -44.35 87.79 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.578 1.173 . . . . 74.109999999999999 109.253 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.798 HD11 HG23 ' A' ' 9' ' ' ILE . 5.3 mt -72.43 -32.7 66.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 60.399999999999999 109.353 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -69.95 -29.09 66.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 50.100000000000001 109.305 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -80.99 -29.56 35.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 72.140000000000001 110.323 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -75.02 -46.78 32.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 71.310000000000002 109.315 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.583 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.0 pp -64.3 -30.96 51.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 54.439999999999998 109.264 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.12 -24.89 1.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 72.349999999999994 109.273 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.05 -41.98 24.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 74.219999999999999 109.243 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.909 HD22 ' O ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -62.55 -47.73 82.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 75.5 109.333 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -52.21 -46.23 65.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 71.430000000000007 109.282 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 72.230000000000004 110.342 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.476 ' N ' ' HB3' ' A' ' 4' ' ' ALA . 12.5 mt-10 . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.323 -0.251 . . . . 73.030000000000001 110.323 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 86.6 mt -128.82 -62.35 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 75.040000000000006 109.249 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.4 -22.77 57.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 23.350000000000001 109.323 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.476 ' HB3' ' N ' ' A' ' 1' ' ' GLU . . . -75.1 -22.87 57.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 72.230000000000004 109.248 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.838 ' HG ' HD13 ' B' ' 5' ' ' LEU . 0.2 OUTLIER -55.52 -32.82 63.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 52.149999999999999 109.281 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -67.55 -31.32 71.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 73.239999999999995 110.3 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.62 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -74.75 -47.81 29.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 75.310000000000002 109.33 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -59.23 -53.69 55.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 72.120000000000005 110.337 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.543 HG23 ' O ' ' A' ' 5' ' ' LEU . 2.2 pp -58.26 -31.03 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 61.32 109.334 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . -55.55 -28.04 52.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 42.549999999999997 109.328 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.81 -34.77 78.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 54.299999999999997 109.329 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.769 ' HG ' HD13 ' B' ' 12' ' ' LEU . 1.7 mm? -70.19 -45.57 66.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 62.149999999999999 109.286 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -31.65 52.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 73.150000000000006 110.288 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.609 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -76.5 -36.47 57.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 64.230000000000004 109.363 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -65.12 -52.89 52.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 71.310000000000002 110.317 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.403 HG21 ' HB3' ' B' ' 15' ' ' LYS . 2.2 pp -61.19 -26.28 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 74.219999999999999 109.324 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 14' ' ' LYS . . . -52.13 -30.49 26.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 61.520000000000003 109.31 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -39.0 76.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 62.329999999999998 109.332 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.879 HD22 ' HB2' ' B' ' 19' ' ' LEU . 7.2 tp -64.15 -54.14 38.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 64.340000000000003 109.258 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -56.55 20.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 64.319999999999993 110.303 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 71.239999999999995 109.287 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.311 -0.626 . . . . 74.540000000000006 109.311 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 37.7 pt -107.1 -33.56 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 63.520000000000003 109.33 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.5 -27.46 68.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.41 1.069 . . . . 51.439999999999998 109.353 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.01 -54.56 45.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 74.150000000000006 109.335 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.838 HD13 ' HG ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -52.84 -39.57 62.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 65.219999999999999 109.28 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.35 -40.91 92.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 63.399999999999999 109.311 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -72.54 -33.21 66.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 65.230000000000004 110.352 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -53.7 51.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 62.350000000000001 109.265 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 34.6 pt -60.68 -32.1 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 70.120000000000005 109.296 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.55 -25.09 62.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 70.150000000000006 109.369 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.38 -57.54 3.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 73.319999999999993 109.363 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.784 ' C ' HD12 ' B' ' 12' ' ' LEU . 0.4 OUTLIER -55.72 -34.41 65.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 72.439999999999998 109.279 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.465 ' N ' HD12 ' B' ' 12' ' ' LEU . 2.4 tmtt? -66.89 -31.45 72.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 53.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -78.5 -40.19 35.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 65.340000000000003 110.307 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.403 ' HB3' HG21 ' A' ' 16' ' ' ILE . 6.2 mttm -64.75 -52.55 56.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 62.310000000000002 109.31 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.541 HD12 ' N ' ' B' ' 17' ' ' ALA . 2.1 pp -59.63 -36.69 66.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 54.340000000000003 109.31 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.541 ' N ' HD12 ' B' ' 16' ' ' ILE . . . -53.65 -51.63 62.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 63.109999999999999 109.332 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.64 -63.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 62.520000000000003 109.329 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.879 ' HB2' HD22 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -52.1 -34.43 44.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 61.439999999999998 109.33 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -50.71 69.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 74.049999999999997 109.35 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 74.510000000000005 110.302 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.332 -0.248 . . . . 72.200000000000003 110.332 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -92.27 -28.4 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 73.099999999999994 109.319 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.76 -31.23 71.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 71.230000000000004 109.282 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.43 -21.89 62.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 54.32 109.36 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.741 ' C ' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -54.42 -45.09 72.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 71.540000000000006 109.305 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 4.6 tt0 -62.77 -36.25 82.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 62.210000000000001 110.308 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -26.66 61.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 73.030000000000001 109.324 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.402 ' HB3' HD11 ' B' ' 9' ' ' ILE . 0.1 OUTLIER -72.52 -51.08 21.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 61.109999999999999 110.268 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.534 HG21 ' CG ' ' B' ' 8' ' ' LYS . 2.4 pt -70.92 -31.54 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 74.420000000000002 109.378 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -60.6 -28.02 68.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 62.420000000000002 109.326 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.46 87.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 73.129999999999995 109.324 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -87.99 -21.06 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 72.150000000000006 109.323 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.507 ' N ' HD22 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -73.53 -37.03 65.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 73.209999999999994 110.288 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -26.53 60.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 75.200000000000003 109.283 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.65 -53.15 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 74.400000000000006 110.369 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.662 HG21 ' HB3' ' B' ' 15' ' ' LYS . 1.8 pp -64.4 -26.0 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 64.120000000000005 109.331 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.77 -23.62 4.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.439 1.087 . . . . 63.32 109.26 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.02 -47.76 56.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.433 1.083 . . . . 54.32 109.309 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.41 -59.54 4.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 72.209999999999994 109.266 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -52.41 -57.81 8.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.494 1.121 . . . . 72.099999999999994 110.234 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 72.430000000000007 109.33 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.331 -0.618 . . . . 74.140000000000001 109.331 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 1.2 pt -72.11 -32.09 42.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 54.149999999999999 109.34 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.21 -26.7 64.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 53.539999999999999 109.31 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.47 -39.78 27.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 73.329999999999998 109.241 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.732 HD13 ' C ' ' B' ' 5' ' ' LEU . 0.4 OUTLIER -66.4 -34.51 78.11 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.538 1.149 . . . . 70.420000000000002 109.333 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -53.67 -49.71 67.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.622 1.201 . . . . 74.239999999999995 109.329 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -77.17 -34.04 56.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 71.409999999999997 110.363 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.546 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 20.8 tptt -51.0 -41.76 59.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 75.219999999999999 109.322 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.402 HD11 ' HB3' ' A' ' 8' ' ' GLU . 4.9 mm -67.19 -43.37 88.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 64.049999999999997 109.313 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.406 ' HA ' ' CB ' ' B' ' 13' ' ' LYS . . . -59.23 -29.19 67.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 74.519999999999996 109.249 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -53.11 -54.97 27.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.442 1.089 . . . . 72.129999999999995 109.353 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.507 HD22 ' N ' ' A' ' 13' ' ' GLU . 1.5 mp -75.6 -31.9 60.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 51.409999999999997 109.278 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.568 ' HA ' HD12 ' B' ' 16' ' ' ILE . 0.1 OUTLIER -50.78 -33.88 25.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 51.020000000000003 109.343 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 2.7 tt0 -78.96 -39.91 33.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 61.25 110.291 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.662 ' HB3' HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -58.67 -39.86 81.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 70.420000000000002 109.273 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' B' ' 13' ' ' LYS . 13.5 mt -63.87 -35.62 73.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 42.43 109.293 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' B' ' 14' ' ' GLU . . . -55.9 -28.44 56.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 60.240000000000002 109.266 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' B' ' 15' ' ' LYS . . . -67.16 -57.82 6.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 71.430000000000007 109.325 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.521 HD13 ' C ' ' B' ' 19' ' ' LEU . 2.6 tm? -53.87 -50.18 66.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 70.340000000000003 109.258 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.17 -45.92 65.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 61.409999999999997 109.302 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 74.329999999999998 110.315 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.335 -0.246 . . . . 64.540000000000006 110.335 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.535 HG23 HD23 ' A' ' 5' ' ' LEU . 21.1 mt -113.36 -35.2 2.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 64.319999999999993 109.25 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.36 -23.96 67.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 53.399999999999999 109.377 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.27 -21.15 59.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 34.119999999999997 109.3 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.535 HD23 HG23 ' A' ' 2' ' ' ILE . 0.2 OUTLIER -59.23 -40.68 86.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.179 . . . . 64.310000000000002 109.323 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.21 -42.57 86.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 73.140000000000001 110.318 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -75.14 -30.04 60.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 70.209999999999994 109.33 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.542 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -64.07 -53.35 51.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 70.530000000000001 110.283 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.497 HG23 HD23 ' B' ' 5' ' ' LEU . 46.9 pt -58.79 -33.89 50.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.606 1.191 . . . . 75.219999999999999 109.333 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.29 -25.9 67.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 74.120000000000005 109.318 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 8' ' ' GLU . . . -56.37 -41.84 76.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 72.420000000000002 109.363 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.67 ' HB2' HD13 ' B' ' 12' ' ' LEU . 2.0 mm? -88.72 -31.46 18.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.164 . . . . 75.329999999999998 109.273 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.44 -39.83 70.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 71.25 110.3 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -69.79 -27.27 64.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 72.530000000000001 109.314 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.22 -49.77 26.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 73.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.4 HG22 ' HB3' ' B' ' 15' ' ' LYS . 1.2 pt -71.4 -27.94 30.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 74.530000000000001 109.298 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.92 -23.22 67.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 72.319999999999993 109.262 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.61 -50.53 10.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 51.409999999999997 109.328 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.27 -43.23 82.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 74.109999999999999 109.303 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.2 -50.42 72.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 75.200000000000003 110.295 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 74.340000000000003 109.278 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.294 -0.632 . . . . 71.299999999999997 109.294 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -47.22 -39.03 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 73.099999999999994 109.263 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.39 -41.13 94.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 73.030000000000001 109.301 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.79 -35.45 80.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 64.420000000000002 109.265 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.629 HD13 ' C ' ' B' ' 5' ' ' LEU . 0.7 OUTLIER -57.25 -51.91 67.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.591 1.182 . . . . 65.310000000000002 109.279 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.554 ' N ' HD13 ' B' ' 5' ' ' LEU . 4.5 ttpt -51.55 -35.17 39.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 73.439999999999998 109.36 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -75.69 -32.64 60.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.554 1.159 . . . . 64.409999999999997 110.257 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.401 ' HB3' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -66.48 -54.67 21.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 75.400000000000006 109.352 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 45.9 pt -63.52 -33.56 62.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 74.530000000000001 109.338 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.91 -26.94 65.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 71.319999999999993 109.334 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.63 -48.88 20.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.593 1.183 . . . . 64.310000000000002 109.346 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.67 HD13 ' HB2' ' A' ' 12' ' ' LEU . 3.0 mt -67.26 -30.16 69.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 54.109999999999999 109.276 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -57.09 -29.34 63.41 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.446 1.091 . . . . 55.340000000000003 109.345 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -76.15 -30.67 58.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 74.340000000000003 110.322 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' B' ' 18' ' ' ALA . 18.6 mttt -75.09 -54.61 6.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 74.209999999999994 109.299 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.522 HD12 ' N ' ' B' ' 17' ' ' ALA . 2.2 pp -57.43 -32.1 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 72.040000000000006 109.286 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.522 ' N ' HD12 ' B' ' 16' ' ' ILE . . . -63.8 -25.18 68.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 55.200000000000003 109.292 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' B' ' 15' ' ' LYS . . . -76.24 -51.82 11.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 14.32 109.285 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.03 -37.94 64.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 71.230000000000004 109.289 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -59.78 -50.16 74.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 72.030000000000001 109.309 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 73.0 110.366 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 110.327 -0.249 . . . . 71.239999999999995 110.327 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.581 ' O ' HD23 ' A' ' 5' ' ' LEU . 30.0 pt -89.69 -21.18 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 74.329999999999998 109.245 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.33 -30.78 67.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.409 1.068 . . . . 62.229999999999997 109.246 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.09 68.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 45.219999999999999 109.271 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 2' ' ' ILE . 0.3 OUTLIER -56.16 -32.05 63.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 72.430000000000007 109.332 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 4.7 tt0 -72.88 -37.85 67.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 64.019999999999996 110.377 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -28.71 61.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 74.040000000000006 109.367 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.18 -50.29 41.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 71.439999999999998 110.274 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.33 -35.05 60.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 65.310000000000002 109.395 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -58.33 -29.93 66.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 65.120000000000005 109.311 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.25 -61.92 2.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 54.350000000000001 109.318 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.699 HD12 HG21 ' B' ' 16' ' ' ILE . 3.0 mm? -59.05 -25.59 63.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 73.439999999999998 109.286 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -62.86 -36.5 83.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 64.420000000000002 110.288 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -70.87 -26.32 63.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 60.32 109.266 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.625 ' OE1' HD13 ' A' ' 12' ' ' LEU . 1.1 mp0 -76.34 -50.81 13.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 74.219999999999999 110.314 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.422 HD12 ' C ' ' A' ' 16' ' ' ILE . 2.1 pp -68.14 -30.28 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 72.409999999999997 109.306 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 13' ' ' GLU . . . -59.81 -24.46 64.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 75.420000000000002 109.268 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.75 -49.21 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 71.219999999999999 109.322 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.629 HD13 ' HB2' ' B' ' 19' ' ' LEU . 0.2 OUTLIER -53.51 -41.98 66.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 72.5 109.296 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -67.39 -49.07 65.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.414 1.071 . . . . 75.420000000000002 110.298 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 53.149999999999999 109.287 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.263 -0.643 . . . . 73.5 109.263 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 5.8 pt -74.55 -37.58 44.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 75.219999999999999 109.281 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.02 85.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 75.200000000000003 109.294 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.18 -39.46 68.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 71.040000000000006 109.345 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.765 ' C ' HD23 ' B' ' 5' ' ' LEU . 0.2 OUTLIER -57.6 -34.3 69.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 74.409999999999997 109.285 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.651 ' N ' HD23 ' B' ' 5' ' ' LEU . 1.8 tttt -64.18 -47.43 79.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.484 1.115 . . . . 74.109999999999999 109.292 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.98 -33.22 75.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 75.239999999999995 110.275 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.444 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 1.2 mptt -61.38 -54.85 38.31 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.608 1.193 . . . . 75.099999999999994 109.268 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.422 ' HA ' HD12 ' B' ' 12' ' ' LEU . 20.2 pt -61.03 -32.9 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 71.510000000000005 109.323 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.72 -23.54 62.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 75.109999999999999 109.279 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -72.55 -48.67 38.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 54.240000000000002 109.253 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' B' ' 9' ' ' ILE . 0.3 OUTLIER -74.46 -30.04 61.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 72.209999999999994 109.246 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -59.5 -28.97 67.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 73.219999999999999 109.25 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 0.7 OUTLIER -76.52 -37.95 55.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 70.129999999999995 110.227 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -54.59 22.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 64.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.699 HG21 HD12 ' A' ' 12' ' ' LEU . 2.2 pp -55.18 -32.48 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 62.140000000000001 109.255 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' B' ' 14' ' ' GLU . . . -60.12 -33.48 72.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 74.230000000000004 109.294 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.1 -57.76 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 62.109999999999999 109.258 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.629 ' HB2' HD13 ' A' ' 19' ' ' LEU . 1.5 tp -51.32 -40.33 58.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 74.129999999999995 109.34 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -52.15 66.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 62.409999999999997 109.323 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 74.209999999999994 110.296 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.491 ' O ' HD23 ' A' ' 5' ' ' LEU . 25.0 mt-10 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.304 -0.258 . . . . 62.520000000000003 110.304 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mt -72.33 -53.11 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 71.109999999999999 109.345 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.12 -21.12 59.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 62.420000000000002 109.341 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.01 -59.05 4.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 63.210000000000001 109.274 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.696 HD13 ' HB3' ' B' ' 5' ' ' LEU . 3.7 pp -61.0 -38.86 87.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 70.120000000000005 109.293 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -53.14 -35.25 59.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 72.150000000000006 110.351 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.429 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -75.09 -38.45 61.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 109.354 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -61.05 -54.49 44.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 75.129999999999995 110.322 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 pp -61.71 -25.6 37.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 75.340000000000003 109.308 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . -68.99 -25.95 64.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 60.200000000000003 109.353 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 14' ' ' LYS . . . -66.44 -35.16 79.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 62.240000000000002 109.324 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.708 HD12 ' CB ' ' B' ' 12' ' ' LEU . 5.2 tt -49.56 -37.44 27.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 62.530000000000001 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.588 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -65.2 -32.66 74.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 65.109999999999999 110.309 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -76.53 -42.96 41.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 65.030000000000001 109.331 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.41 -54.59 41.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 74.430000000000007 110.282 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.568 HG23 ' O ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -63.14 -26.14 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 75.420000000000002 109.346 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' A' ' 13' ' ' GLU . . . -70.85 -32.72 69.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 41.409999999999997 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.46 -62.19 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 74.209999999999994 109.288 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.492 ' C ' HD12 ' A' ' 19' ' ' LEU . 2.5 pp -55.54 -37.44 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 73.329999999999998 109.31 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.431 ' CB ' ' O ' ' A' ' 16' ' ' ILE . 25.1 tt0 -58.83 -52.83 64.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 71.049999999999997 110.249 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 tttm . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 71.25 109.261 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 7.2 mttt . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.273 -0.64 . . . . 72.239999999999995 109.273 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . 0.619 ' O ' HD12 ' B' ' 5' ' ' LEU . 1.1 pp -60.95 -23.34 29.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 72.430000000000007 109.331 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.26 -25.5 66.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 74.230000000000004 109.372 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.93 -21.36 20.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 72.510000000000005 109.322 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.9 HD13 ' N ' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -52.53 -33.06 43.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 71.540000000000006 109.254 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.9 ' N ' HD13 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -67.39 -35.89 80.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 44.049999999999997 109.326 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -73.66 -45.32 53.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 75.329999999999998 110.296 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 3.3 mmtt -60.59 -53.87 52.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.064 . . . . 63.039999999999999 109.346 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.418 HD13 HD22 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -62.13 -33.25 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 74.010000000000005 109.34 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' B' ' 6' ' ' LYS . . . -64.36 -25.56 68.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.355 1.034 . . . . 74.230000000000004 109.274 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -74.8 -24.31 58.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 63.530000000000001 109.364 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.81 ' O ' HG23 ' B' ' 16' ' ' ILE . 0.0 OUTLIER -74.41 -32.01 62.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 63.140000000000001 109.305 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.471 ' N ' HD23 ' B' ' 12' ' ' LEU . 21.5 mtpt -69.91 -42.59 73.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 74.409999999999997 109.312 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -74.26 -30.3 62.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 44.229999999999997 110.285 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.429 ' HB3' HG22 ' A' ' 16' ' ' ILE . 4.9 mmtt -67.13 -51.57 52.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 71.040000000000006 109.289 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.81 HG23 ' O ' ' B' ' 12' ' ' LEU . 11.3 pt -63.07 -34.66 67.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 73.329999999999998 109.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.96 -32.54 15.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 72.400000000000006 109.27 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.53 -50.41 72.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 64.430000000000007 109.375 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.451 ' O ' HD13 ' B' ' 19' ' ' LEU . 1.3 tm? -61.93 -47.75 83.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 62.039999999999999 109.256 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -47.69 60.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 74.340000000000003 109.242 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 63.439999999999998 110.245 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.377 -0.231 . . . . 74.329999999999998 110.377 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.6 pt -72.57 -29.15 29.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 62.409999999999997 109.32 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.94 -25.3 63.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 74.230000000000004 109.312 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.95 -47.6 68.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 32.340000000000003 109.277 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.9 HD13 ' N ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -59.8 -42.89 94.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 74.439999999999998 109.284 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.9 ' N ' HD13 ' A' ' 5' ' ' LEU . 3.3 tt0 -58.22 -44.81 88.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 75.209999999999994 110.349 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -33.37 73.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 73.25 109.298 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.534 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 7.8 mm-40 -63.63 -54.84 29.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 75.299999999999997 110.305 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.468 HG23 HD22 ' A' ' 5' ' ' LEU . 48.4 pt -62.7 -42.58 96.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 75.340000000000003 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.403 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -56.62 -25.67 53.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 75.439999999999998 109.346 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 8' ' ' GLU . . . -71.53 -59.47 2.74 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.451 1.094 . . . . 33.539999999999999 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.747 HD13 ' C ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -45.82 -29.8 1.46 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.549 1.156 . . . . 71.510000000000005 109.273 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.38 -42.97 74.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 63.43 110.276 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -74.08 -27.46 60.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 63.240000000000002 109.311 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -68.55 -54.35 17.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 64.120000000000005 110.311 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.575 HG23 HD22 ' A' ' 12' ' ' LEU . 15.8 pt -60.21 -26.05 35.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 74.319999999999993 109.279 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.64 -27.4 67.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 73.340000000000003 109.303 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.64 -45.25 9.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 71.299999999999997 109.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.579 ' C ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -55.75 -46.22 77.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 44.140000000000001 109.34 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -70.35 -41.19 73.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 71.420000000000002 110.35 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 54.229999999999997 109.359 179.898 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' B' ' 4' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.249 -0.648 . . . . 73.340000000000003 109.249 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . 0.423 ' HA ' HD12 ' B' ' 5' ' ' LEU . 3.9 mt -60.37 -44.6 96.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 74.120000000000005 109.313 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.23 -30.96 71.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 64.049999999999997 109.324 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' B' ' 1' ' ' LYS . . . -62.74 -48.89 77.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 70.120000000000005 109.313 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' B' ' 2' ' ' ILE . 0.8 OUTLIER -67.98 -32.63 73.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 70.099999999999994 109.297 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.54 ' O ' HG22 ' B' ' 9' ' ' ILE . 0.0 OUTLIER -59.95 -46.96 87.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 65.239999999999995 109.317 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.631 ' O ' ' HB3' ' B' ' 10' ' ' ALA . 1.0 OUTLIER -70.15 -46.51 64.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 74.329999999999998 110.268 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -50.94 -53.69 30.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 60.130000000000003 109.274 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.844 HD13 ' O ' ' B' ' 9' ' ' ILE . 0.1 OUTLIER -62.39 -32.92 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 60.420000000000002 109.282 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' B' ' 7' ' ' GLU . . . -55.18 -23.47 21.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 74.310000000000002 109.312 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.91 89.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 75.239999999999995 109.328 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.449 HD22 ' HG ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -77.81 -34.81 51.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 74.439999999999998 109.314 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.6 -34.45 26.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 74.409999999999997 109.298 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.44 -27.63 34.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.143 . . . . 70.510000000000005 110.289 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -67.87 -45.03 75.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 75.540000000000006 109.301 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 6.8 pt -71.23 -31.32 43.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 63.25 109.27 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.16 -28.89 8.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 62.450000000000003 109.326 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.44 -48.42 64.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 63.210000000000001 109.305 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.15 -35.59 75.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 65.430000000000007 109.42 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -51.18 58.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 71.349999999999994 109.364 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 73.319999999999993 110.24 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.268 -0.271 . . . . 61.140000000000001 110.268 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.596 ' HA ' HD12 ' A' ' 5' ' ' LEU . 1.5 pp -66.66 -21.23 28.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.506 1.129 . . . . 72.420000000000002 109.295 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.25 -21.65 59.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 52.439999999999998 109.353 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.65 -30.09 22.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 64.239999999999995 109.317 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 2' ' ' ILE . 16.7 mt -70.87 -41.19 71.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 52.200000000000003 109.264 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -74.75 -30.86 61.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 54.420000000000002 110.338 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 0.8 OUTLIER -69.46 -32.68 71.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 74.200000000000003 109.287 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.668 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.4 tt0 -68.06 -25.66 65.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 74.030000000000001 110.266 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.409 HD13 HG22 ' B' ' 9' ' ' ILE . 3.6 mm -54.14 -46.3 66.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.538 1.148 . . . . 74.439999999999998 109.335 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.43 -26.64 68.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.418 1.074 . . . . 72.129999999999995 109.319 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 8' ' ' GLU . . . -64.13 -55.35 22.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 54.439999999999998 109.311 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.509 HD11 ' HB ' ' B' ' 9' ' ' ILE . 0.8 OUTLIER -68.78 -23.13 64.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 71.230000000000004 109.372 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.91 ' O ' HG22 ' A' ' 16' ' ' ILE . 1.0 OUTLIER -72.08 -37.8 69.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 73.120000000000005 110.264 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.548 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 7.1 tttt -74.76 -34.04 62.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 62.130000000000003 109.307 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.14 -41.04 99.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 72.299999999999997 110.26 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.91 HG22 ' O ' ' A' ' 13' ' ' GLU . 7.2 tt -60.24 -25.4 33.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 71.230000000000004 109.267 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 14' ' ' LYS . . . -65.72 -24.27 66.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 75.030000000000001 109.256 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.16 -28.04 62.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 52.200000000000003 109.304 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.062 HD13 HD22 ' B' ' 19' ' ' LEU . 0.1 OUTLIER -53.56 -39.13 64.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 61.25 109.324 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' N ' ' HG ' ' A' ' 19' ' ' LEU . 4.0 tt0 -78.8 -57.42 3.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 70.409999999999997 110.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 63.439999999999998 109.294 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.444 ' O ' ' HB3' ' B' ' 4' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.296 -0.631 . . . . 70.010000000000005 109.296 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp -68.19 -35.22 70.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 62.229999999999997 109.257 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.34 -29.68 68.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 74.209999999999994 109.237 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' B' ' 1' ' ' LYS . . . -53.38 -59.26 4.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 61.219999999999999 109.295 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.18 -44.76 78.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 72.329999999999998 109.289 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.97 -28.06 9.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 73.439999999999998 109.281 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' B' ' 10' ' ' ALA . 3.3 mt-10 -78.3 -48.0 16.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 74.409999999999997 110.309 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.44 -51.71 64.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.405 1.065 . . . . 53.439999999999998 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.509 ' HB ' HD11 ' A' ' 12' ' ' LEU . 40.4 pt -61.57 -30.97 49.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 72.420000000000002 109.311 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' B' ' 7' ' ' GLU . . . -67.7 -25.66 65.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 75.319999999999993 109.267 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.58 -47.89 13.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 64.549999999999997 109.302 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.81 -29.74 70.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.185 . . . . 74.549999999999997 109.29 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -67.74 -35.4 78.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 74.140000000000001 109.261 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -81.23 -30.86 34.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 64.439999999999998 110.309 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.19 -54.23 27.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 74.540000000000006 109.344 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 pp -63.32 -35.56 72.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 51.409999999999997 109.296 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.2 -29.99 71.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 50.439999999999998 109.287 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.99 -59.18 2.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 43.030000000000001 109.261 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 1.062 HD22 HD13 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -56.74 -32.68 65.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 75.030000000000001 109.337 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.45 -50.56 62.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.401 1.063 . . . . 73.109999999999999 109.233 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 75.239999999999995 110.254 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.341 -0.244 . . . . 71.299999999999997 110.341 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.8 pt -85.83 -25.9 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 53.219999999999999 109.297 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.92 -49.52 77.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 75.120000000000005 109.281 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.67 78.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 54.030000000000001 109.345 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.72 HD22 ' HB2' ' B' ' 5' ' ' LEU . 3.0 tp -55.92 -53.48 56.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 74.200000000000003 109.304 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -56.9 -33.89 67.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 74.209999999999994 110.292 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.87 -29.6 62.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 64.120000000000005 109.277 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.96 -51.81 23.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 65.510000000000005 110.322 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pt -66.29 -25.87 36.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.578 1.174 . . . . 74.109999999999999 109.308 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.12 -32.93 72.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 73.530000000000001 109.288 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.11 -44.37 30.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 75.530000000000001 109.368 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.523 HD21 ' HB3' ' B' ' 15' ' ' LYS . 1.4 tm? -45.31 -55.23 6.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 61.149999999999999 109.278 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.549 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 5.5 tt0 -55.04 -33.62 62.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 71.109999999999999 110.256 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -75.15 -27.2 59.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 72.120000000000005 109.26 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.55 -51.03 15.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 63.399999999999999 110.328 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.8 pt -68.95 -34.05 62.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 61.340000000000003 109.329 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 13' ' ' GLU . . . -51.21 -35.05 34.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 45.539999999999999 109.266 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.03 -38.88 61.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 60.439999999999998 109.32 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.403 ' C ' HD13 ' A' ' 19' ' ' LEU . 3.4 tm? -58.75 -50.31 74.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 71.430000000000007 109.323 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.52 -56.26 21.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 72.129999999999995 110.308 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 64.439999999999998 109.268 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.282 -0.636 . . . . 72.319999999999993 109.282 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . 0.588 ' HA ' HD23 ' B' ' 5' ' ' LEU . 35.1 pt -106.14 -38.07 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 71.040000000000006 109.269 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.42 -34.56 69.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 74.510000000000005 109.293 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.47 -46.25 60.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 60.240000000000002 109.357 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.72 ' HB2' HD22 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -56.76 -32.59 65.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 75.230000000000004 109.349 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -65.94 -34.03 77.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 54.43 109.265 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' B' ' 10' ' ' ALA . 1.4 mp0 -77.94 -33.81 51.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 62.140000000000001 110.327 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -48.02 83.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 52.039999999999999 109.328 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.76 ' HA ' HD23 ' B' ' 12' ' ' LEU . 45.5 pt -64.08 -35.98 75.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.605 1.191 . . . . 72.519999999999996 109.309 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' B' ' 7' ' ' GLU . . . -54.37 -41.59 69.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 55.299999999999997 109.303 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.67 -43.96 83.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.591 1.182 . . . . 74.519999999999996 109.313 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.76 HD23 ' HA ' ' B' ' 9' ' ' ILE . 0.1 OUTLIER -56.59 -32.2 65.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 75.230000000000004 109.327 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -37.16 76.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 72.129999999999995 109.306 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.612 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 12.8 mt-10 -73.85 -33.68 64.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 61.229999999999997 110.321 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.523 ' HB3' HD21 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -63.99 -53.49 49.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 75.329999999999998 109.302 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.494 HG23 ' O ' ' B' ' 12' ' ' LEU . 25.7 pt -55.78 -33.28 33.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 53.350000000000001 109.297 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' B' ' 14' ' ' GLU . . . -48.48 -31.8 6.91 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.53 1.144 . . . . 54.439999999999998 109.357 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.07 -56.72 6.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 72.329999999999998 109.351 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.415 HD12 ' O ' ' B' ' 19' ' ' LEU . 0.2 OUTLIER -51.72 -33.69 35.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 65.319999999999993 109.32 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -52.78 42.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 72.120000000000005 109.354 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.17 . . . . 74.340000000000003 110.372 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.302 -0.258 . . . . 63.340000000000003 110.302 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 25.0 mt -102.69 -43.87 9.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 75.140000000000001 109.334 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.78 -27.51 63.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 70.150000000000006 109.341 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.9 -33.6 74.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 31.109999999999999 109.259 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.5 mt -66.34 -35.57 80.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 61.32 109.324 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.9 -31.21 56.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.075 . . . . 64.439999999999998 110.296 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -74.08 -31.89 63.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 62.229999999999997 109.295 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.34 -54.77 27.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 71.019999999999996 110.364 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.711 ' CG2' HD13 ' B' ' 9' ' ' ILE . 2.0 pp -64.98 -36.76 78.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 73.329999999999998 109.345 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.89 -26.29 65.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 72.140000000000001 109.337 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.6 -49.88 13.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 61.439999999999998 109.34 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.838 ' HG ' HD13 ' B' ' 12' ' ' LEU . 1.2 mm? -58.26 -54.16 50.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 64.099999999999994 109.284 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -50.0 -38.94 39.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 71.439999999999998 110.315 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -37.51 79.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 73.120000000000005 109.342 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -65.1 -43.1 93.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 71.010000000000005 110.304 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.529 HG23 ' HB3' ' B' ' 19' ' ' LEU . 9.4 mm -73.73 -33.02 36.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 72.409999999999997 109.301 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.66 -24.72 35.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 50.409999999999997 109.28 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.84 -31.88 68.72 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.152 . . . . 64.109999999999999 109.248 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' HG ' HD13 ' B' ' 19' ' ' LEU . 3.9 mm? -72.6 -51.92 17.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 70.5 109.332 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.29 -53.81 53.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 73.420000000000002 110.257 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 60.409999999999997 109.346 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.404 ' HB3' ' HB2' ' B' ' 4' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.281 -0.637 . . . . 64.5 109.281 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . 0.469 ' O ' HD22 ' B' ' 5' ' ' LEU . 15.4 mm -122.33 -55.89 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 73.040000000000006 109.255 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.92 -24.53 62.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 73.5 109.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.404 ' HB2' ' HB3' ' B' ' 1' ' ' LYS . . . -49.78 -60.65 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 42.130000000000003 109.247 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.653 ' N ' HD13 ' B' ' 5' ' ' LEU . 0.1 OUTLIER -53.93 -35.24 61.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 74.140000000000001 109.285 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -61.57 -37.14 82.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 74.230000000000004 109.265 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -75.03 -35.68 61.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 110.31 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.657 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 6.8 mptt -56.55 -29.46 62.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 73.040000000000006 109.332 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.711 HD13 ' CG2' ' A' ' 9' ' ' ILE . 47.9 mm -52.75 -42.59 42.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 75.319999999999993 109.353 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.41 -24.16 67.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 72.200000000000003 109.327 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -66.17 -38.34 87.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.107 . . . . 75.430000000000007 109.253 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.838 HD13 ' HG ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -63.4 -40.2 96.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 73.430000000000007 109.283 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -34.46 78.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 74.209999999999994 109.241 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 2.7 tt0 -77.67 -28.57 51.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 75.129999999999995 110.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -37.65 82.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 70.409999999999997 109.336 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 67.2 mt -60.01 -32.3 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 71.239999999999995 109.319 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' B' ' 14' ' ' GLU . . . -56.21 -45.73 79.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 63.32 109.251 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.72 -54.7 25.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 72.129999999999995 109.25 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.695 HD12 ' C ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -52.4 -50.46 62.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 74.030000000000001 109.301 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.407 ' N ' ' HG ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -49.19 -51.32 33.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 73.219999999999999 109.263 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 74.430000000000007 110.312 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.344 -0.243 . . . . 43.049999999999997 110.344 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.2 mp -114.63 -39.46 2.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.505 1.128 . . . . 64.040000000000006 109.302 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.65 -21.13 66.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.145 . . . . 72.540000000000006 109.316 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.9 -54.08 51.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 72.540000000000006 109.293 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.48 -39.99 74.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 70.150000000000006 109.305 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -66.84 -34.34 77.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 64.409999999999997 110.307 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.4 tttt -74.57 -31.02 61.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.394 1.059 . . . . 63.530000000000001 109.266 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.408 ' O ' HD23 ' A' ' 12' ' ' LEU . 5.6 mt-10 -69.83 -54.77 12.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 62.219999999999999 110.339 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.97 -37.57 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 74.209999999999994 109.29 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.34 -31.33 71.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 61.539999999999999 109.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.32 -49.26 64.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 74.209999999999994 109.315 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.8 ' HG ' HD13 ' B' ' 12' ' ' LEU . 4.1 mm? -61.34 -40.36 93.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 74.230000000000004 109.265 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.667 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 9.6 tt0 -49.22 -30.53 7.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 62.100000000000001 110.31 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -73.73 -42.09 61.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 64.219999999999999 109.282 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -54.72 25.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 60.240000000000002 110.333 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.614 HG21 ' HB3' ' B' ' 15' ' ' LYS . 1.1 pt -62.07 -32.82 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 74.230000000000004 109.284 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 13' ' ' GLU . . . -51.4 -32.23 25.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 63.32 109.276 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.17 -44.18 66.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 64.129999999999995 109.311 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.614 HD22 ' HB2' ' B' ' 19' ' ' LEU . 3.1 tp -53.42 -47.76 69.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 74.150000000000006 109.261 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.52 -56.0 24.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 73.439999999999998 110.279 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.327 -0.41 0 O-C-N 124.493 1.121 . . . . 52.43 109.293 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.563 ' O ' HD22 ' B' ' 5' ' ' LEU . 2.3 tttm . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.298 -0.63 . . . . 70.200000000000003 109.298 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 mt -74.99 -49.37 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 60.43 109.293 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.05 -26.97 65.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 70.439999999999998 109.348 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.29 -63.22 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 70.120000000000005 109.316 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.563 HD22 ' O ' ' B' ' 1' ' ' LYS . 1.3 mm? -58.73 -43.41 90.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 73.200000000000003 109.29 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.727 ' HA ' HD12 ' B' ' 9' ' ' ILE . 0.4 OUTLIER -52.5 -31.93 37.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.010000000000005 109.337 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -77.22 -32.15 55.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 55.200000000000003 110.283 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -32.96 70.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.088 . . . . 64.230000000000004 109.336 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' B' ' 6' ' ' LYS . 55.3 mt -61.86 -31.14 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 65.450000000000003 109.3 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.83 -23.13 62.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 63.350000000000001 109.297 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.22 -48.13 10.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 74.310000000000002 109.218 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.874 ' O ' HG23 ' B' ' 16' ' ' ILE . 0.5 OUTLIER -60.77 -29.76 69.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 74.019999999999996 109.273 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.501 ' N ' HD12 ' B' ' 12' ' ' LEU . 7.8 mttp -72.67 -45.13 60.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 64.299999999999997 109.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -27.52 64.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 64.129999999999995 110.273 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.614 ' HB3' HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -75.56 -54.53 6.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 70.209999999999994 109.35 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.874 HG23 ' O ' ' B' ' 12' ' ' LEU . 16.8 pt -56.75 -32.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 73.420000000000002 109.263 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.21 -35.62 80.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 63.299999999999997 109.247 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.39 -59.6 4.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 41.43 109.337 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.638 HD13 ' C ' ' B' ' 19' ' ' LEU . 2.0 tm? -51.76 -46.64 64.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 75.319999999999993 109.301 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -51.63 40.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 75.340000000000003 109.298 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 74.030000000000001 110.323 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.334 -0.247 . . . . 61.140000000000001 110.334 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.7 mt -64.45 -58.34 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 71.519999999999996 109.305 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.53 -21.4 62.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 61.100000000000001 109.184 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.92 -37.35 62.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 63.030000000000001 109.288 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.871 HD22 ' HB3' ' B' ' 5' ' ' LEU . 0.3 OUTLIER -52.65 -42.08 64.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 71.439999999999998 109.361 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -58.63 -34.15 70.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 75.299999999999997 110.257 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -73.96 -28.18 61.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 65.329999999999998 109.242 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.75 -54.66 7.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 70.109999999999999 110.335 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pt -63.95 -25.21 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 64.010000000000005 109.314 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -63.41 -28.74 70.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 51.329999999999998 109.279 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.89 99.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 72.310000000000002 109.362 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.771 ' HB2' HD13 ' B' ' 12' ' ' LEU . 5.2 tp -51.81 -48.2 63.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 71.400000000000006 109.288 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -54.17 -37.14 64.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.379 1.05 . . . . 73.010000000000005 110.301 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.81 -28.25 60.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.158 . . . . 74.349999999999994 109.243 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -70.95 -52.99 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 71.319999999999993 110.303 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.496 HD12 ' C ' ' A' ' 16' ' ' ILE . 2.5 pp -61.73 -28.35 43.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 64.209999999999994 109.366 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.471 ' N ' HD12 ' A' ' 16' ' ' ILE . . . -65.57 -28.02 68.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 64.010000000000005 109.307 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.7 -46.89 12.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 63.32 109.271 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -54.49 -53.48 53.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 62.310000000000002 109.353 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.85 -49.09 79.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 75.310000000000002 110.234 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 73.329999999999998 109.272 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.2 mttt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.369 -0.604 . . . . 72.519999999999996 109.369 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 1.2 mp -87.65 -63.9 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 73.319999999999993 109.307 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.48 -27.08 46.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 55.039999999999999 109.29 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.98 -31.59 29.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.168 . . . . 72.430000000000007 109.269 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.871 ' HB3' HD22 ' A' ' 5' ' ' LEU . 2.2 pp -55.97 -41.4 74.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 70.540000000000006 109.254 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.531 ' N ' HD12 ' B' ' 5' ' ' LEU . 0.2 OUTLIER -54.16 -48.6 70.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 70.209999999999994 109.31 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.53 -46.65 89.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 72.549999999999997 110.369 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -43.97 74.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 74.340000000000003 109.245 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 69.1 mt -71.83 -32.66 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 71.120000000000005 109.295 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.07 -35.74 81.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 23.219999999999999 109.302 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.29 -44.37 68.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 61.310000000000002 109.228 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.771 HD13 ' HB2' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -65.79 -33.99 77.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 65.340000000000003 109.253 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -60.34 -30.78 69.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 75.230000000000004 109.273 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.686 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 2.0 tm-20 -81.44 -45.4 16.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 74.019999999999996 110.297 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.546 ' HD2' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -55.7 -51.65 66.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.525 1.14 . . . . 73.409999999999997 109.341 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 1.4 pp -62.31 -31.46 51.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 74.219999999999999 109.293 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' B' ' 14' ' ' GLU . . . -51.34 -41.41 60.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 74.019999999999996 109.323 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.62 -60.3 4.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 61.229999999999997 109.29 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.631 ' O ' HD22 ' B' ' 19' ' ' LEU . 0.4 OUTLIER -53.01 -31.27 40.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 72.219999999999999 109.333 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -47.43 81.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 71.329999999999998 109.253 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 74.400000000000006 110.287 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.324 -0.25 . . . . 61.329999999999998 110.324 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.5 pt -57.62 -26.86 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 54.310000000000002 109.292 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.11 -39.63 68.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 75.230000000000004 109.239 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.16 -58.14 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 61.399999999999999 109.268 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.782 HD13 ' HA ' ' B' ' 2' ' ' ILE . 0.5 OUTLIER -58.78 -41.96 87.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 33.32 109.309 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.48 -38.14 71.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 71.239999999999995 110.266 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.87 -25.76 62.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 71.209999999999994 109.248 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.599 ' O ' HD22 ' A' ' 12' ' ' LEU . 2.7 tt0 -67.25 -42.46 83.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 75.030000000000001 110.343 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.539 HG22 HG23 ' B' ' 9' ' ' ILE . 0.7 OUTLIER -65.98 -30.62 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.118 . . . . 71.420000000000002 109.244 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.406 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -63.61 -26.16 68.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 75.519999999999996 109.253 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.77 -37.86 62.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 64.549999999999997 109.329 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.599 HD22 ' O ' ' A' ' 8' ' ' GLU . 2.1 mm? -82.82 -20.84 34.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 74.510000000000005 109.275 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -36.91 70.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 42.340000000000003 110.349 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.518 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -76.37 -29.02 56.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 72.340000000000003 109.218 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.18 -54.67 16.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 73.019999999999996 110.342 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.523 ' HA ' HD23 ' A' ' 19' ' ' LEU . 2.3 pp -60.93 -26.58 39.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 71.430000000000007 109.283 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 14' ' ' LYS . . . -51.94 -37.83 54.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 72.099999999999994 109.283 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.51 -51.75 26.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 73.040000000000006 109.313 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -54.62 -27.2 37.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 72.129999999999995 109.333 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.19 -58.6 3.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 73.25 110.322 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mttm . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 53.25 109.277 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.511 ' O ' HD22 ' B' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.275 -0.639 . . . . 73.409999999999997 109.275 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . 0.782 ' HA ' HD13 ' A' ' 5' ' ' LEU . 34.2 pt -52.35 -39.45 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 72.219999999999999 109.312 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.417 ' N ' HG13 ' B' ' 2' ' ' ILE . . . -71.85 -28.52 63.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 51.009999999999998 109.264 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' B' ' 1' ' ' LYS . . . -64.35 -56.16 16.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 71.340000000000003 109.301 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.511 HD22 ' O ' ' B' ' 1' ' ' LYS . 1.8 mm? -54.13 -35.39 62.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 70.420000000000002 109.256 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -31.94 50.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 72.030000000000001 109.321 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -78.32 -31.64 48.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 73.319999999999993 110.281 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.826 ' O ' HD22 ' B' ' 12' ' ' LEU . 2.5 mmmt -69.67 -54.9 11.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.535 1.147 . . . . 73.540000000000006 109.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.539 HG23 HG22 ' A' ' 9' ' ' ILE . 2.5 pp -56.14 -39.26 57.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 72.010000000000005 109.303 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.25 -29.53 66.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.592 1.182 . . . . 75.120000000000005 109.289 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -62.22 -65.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.413 1.071 . . . . 44.409999999999997 109.28 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.826 HD22 ' O ' ' B' ' 8' ' ' LYS . 0.9 OUTLIER -53.83 -37.38 63.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 61.210000000000001 109.259 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -51.97 -31.47 29.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 65.409999999999997 109.295 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.29 -31.85 38.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 72.219999999999999 110.275 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.469 ' O ' ' HB3' ' B' ' 18' ' ' ALA . 2.3 mmtt -68.21 -54.71 15.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 62.229999999999997 109.267 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -38.91 76.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 70.519999999999996 109.258 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.03 -31.41 29.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.5 1.125 . . . . 64.519999999999996 109.304 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' B' ' 15' ' ' LYS . . . -63.96 -59.67 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 73.019999999999996 109.329 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.437 ' O ' HD22 ' B' ' 19' ' ' LEU . 2.2 tm? -53.61 -33.91 56.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 63.210000000000001 109.276 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -64.29 -44.24 92.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 75.150000000000006 109.29 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 73.209999999999994 110.327 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.628 ' N ' HG21 ' B' ' 2' ' ' ILE . 10.0 mm-40 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.363 -0.236 . . . . 71.430000000000007 110.363 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.768 HG22 HD11 ' B' ' 5' ' ' LEU . 13.9 pt -92.07 -25.73 5.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 52.420000000000002 109.325 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.38 -22.97 67.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.145 . . . . 43.420000000000002 109.366 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.02 -33.5 68.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.413 1.07 . . . . 52.020000000000003 109.248 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.764 ' O ' HG23 ' A' ' 9' ' ' ILE . 5.1 tp -64.82 -31.72 73.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 74.299999999999997 109.289 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -46.85 67.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 74.319999999999993 110.282 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -27.73 61.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 63.329999999999998 109.336 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.547 ' OE1' HG21 ' B' ' 9' ' ' ILE . 9.0 mm-40 -70.62 -52.18 23.06 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.504 1.128 . . . . 74.129999999999995 110.293 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.764 HG23 ' O ' ' A' ' 5' ' ' LEU . 35.9 pt -57.01 -32.5 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 72.340000000000003 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.56 -26.91 46.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 75.150000000000006 109.366 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 14' ' ' LYS . . . -72.29 -47.6 48.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 62.43 109.228 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.79 HD13 ' N ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -43.61 -38.87 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 74.530000000000001 109.316 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.79 ' N ' HD13 ' A' ' 12' ' ' LEU . 20.1 tt0 -68.02 -44.54 76.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 74.340000000000003 110.3 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' ALA . 1.4 tttt -65.99 -25.56 67.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 73.099999999999994 109.28 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -70.85 -51.55 25.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 74.120000000000005 110.272 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 12' ' ' LEU . 0.8 OUTLIER -68.31 -26.61 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 71.409999999999997 109.285 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.66 -27.75 12.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 72.230000000000004 109.293 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.26 -43.4 23.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 71.340000000000003 109.334 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.842 ' HG ' HD13 ' B' ' 19' ' ' LEU . 0.1 OUTLIER -54.5 -45.98 73.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 60.420000000000002 109.289 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.753 ' N ' HD13 ' A' ' 19' ' ' LEU . 3.4 tt0 -71.55 -46.72 58.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 74.439999999999998 110.392 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 70.439999999999998 109.291 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.318 -0.623 . . . . 73.319999999999993 109.318 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . 0.628 HG21 ' N ' ' A' ' 1' ' ' GLU . 1.3 mt -115.88 -50.99 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 72.209999999999994 109.275 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.99 -29.4 65.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 64.420000000000002 109.248 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.85 -28.66 66.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.183 . . . . 73.0 109.313 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.768 HD11 HG22 ' A' ' 2' ' ' ILE . 13.1 mt -74.85 -34.4 62.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 63.439999999999998 109.29 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.722 ' HA ' HD12 ' B' ' 9' ' ' ILE . 25.1 tptt -55.47 -50.38 70.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 63.32 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -58.08 -33.71 69.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 54.520000000000003 110.316 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.509 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 4.0 tttt -58.11 -51.36 70.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 74.120000000000005 109.319 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.779 HG22 ' HD2' ' B' ' 13' ' ' LYS . 4.6 mt -53.89 -41.48 49.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 75.140000000000001 109.323 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.51 -26.2 65.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.59 1.182 . . . . 71.129999999999995 109.326 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -69.34 -40.01 77.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 62.310000000000002 109.315 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' B' ' 9' ' ' ILE . 0.7 OUTLIER -77.38 -39.85 45.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 74.310000000000002 109.281 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.779 ' HD2' HG22 ' B' ' 9' ' ' ILE . 2.4 mttt -57.21 -35.92 70.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 74.25 109.304 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.528 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 0.5 OUTLIER -66.86 -35.86 81.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 72.120000000000005 110.361 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -59.51 -50.61 73.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 54.340000000000003 109.313 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.641 HG12 HD12 ' B' ' 19' ' ' LEU . 0.0 OUTLIER -67.43 -31.03 50.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 74.430000000000007 109.352 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' B' ' 14' ' ' GLU . . . -51.65 -25.98 8.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 71.209999999999994 109.265 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.02 -33.3 33.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 61.229999999999997 109.261 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.842 HD13 ' HG ' ' A' ' 19' ' ' LEU . 17.2 mt -70.26 -44.51 68.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 64.420000000000002 109.333 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.449 ' CG ' ' HA ' ' B' ' 17' ' ' ALA . 0.0 OUTLIER -71.33 -30.34 66.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 74.420000000000002 109.276 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 63.140000000000001 110.261 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.343 -0.243 . . . . 62.530000000000001 110.343 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.9 mm -80.06 -27.93 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 72.129999999999995 109.27 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.66 -24.78 56.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 53.020000000000003 109.272 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.77 -44.38 90.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 73.549999999999997 109.344 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 mt -64.65 -31.91 73.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 73.219999999999999 109.254 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -39.27 70.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 54.020000000000003 110.287 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.557 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -74.49 -26.48 60.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 64.140000000000001 109.325 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.58 -49.75 76.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 74.219999999999999 110.344 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.448 HG23 HG22 ' B' ' 9' ' ' ILE . 1.0 OUTLIER -56.06 -27.84 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 64.230000000000004 109.293 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . -70.48 -33.63 71.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 73.230000000000004 109.29 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.54 -60.56 2.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 72.019999999999996 109.334 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.617 HD23 ' O ' ' B' ' 9' ' ' ILE . 2.0 mp -47.9 -46.67 31.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 71.239999999999995 109.323 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -57.45 -35.03 69.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 63.43 110.243 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.542 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -69.08 -37.7 78.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 72.340000000000003 109.302 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -58.56 -53.9 53.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 71.299999999999997 110.324 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.518 ' CD1' HD23 ' A' ' 19' ' ' LEU . 8.3 tp -64.5 -27.38 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 73.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 14' ' ' LYS . . . -59.65 -32.19 70.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 74.409999999999997 109.321 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.55 -33.22 64.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 74.209999999999994 109.286 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.518 HD23 ' CD1' ' A' ' 16' ' ' ILE . 4.7 tp -65.65 -60.72 2.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 75.400000000000006 109.297 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -52.33 -55.95 18.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 74.109999999999999 110.303 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 61.020000000000003 109.245 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.315 -0.624 . . . . 75.340000000000003 109.315 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 pt -99.92 -36.93 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 73.540000000000006 109.26 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.95 -32.6 67.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 73.340000000000003 109.294 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.53 -58.48 4.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 71.310000000000002 109.231 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.456 ' O ' HG23 ' B' ' 9' ' ' ILE . 0.9 OUTLIER -62.47 -32.99 73.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 72.400000000000006 109.291 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -63.93 -31.58 72.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 74.430000000000007 109.25 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -77.76 -31.21 51.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 62.420000000000002 110.261 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.587 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 17.8 mttp -71.98 -54.28 10.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 73.540000000000006 109.309 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.617 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.9 pp -56.88 -37.26 53.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 75.099999999999994 109.307 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.78 -23.09 62.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 65.019999999999996 109.341 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -65.12 -52.02 57.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 64.319999999999993 109.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.528 HD22 ' N ' ' B' ' 12' ' ' LEU . 2.6 mm? -70.56 -30.97 67.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 64.030000000000001 109.321 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.655 ' O ' ' HB2' ' B' ' 17' ' ' ALA . 0.0 OUTLIER -54.97 -30.58 59.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 75.140000000000001 109.362 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.53 -28.18 51.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 74.310000000000002 110.343 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.447 ' C ' HD13 ' A' ' 16' ' ' ILE . 1.2 mtpp -73.77 -50.5 20.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 75.219999999999999 109.309 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.408 HG13 ' N ' ' B' ' 17' ' ' ALA . 1.2 pp -70.57 -32.07 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.404 1.065 . . . . 74.549999999999997 109.345 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' B' ' 13' ' ' LYS . . . -47.94 -36.4 12.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 72.340000000000003 109.287 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -47.99 60.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 70.409999999999997 109.362 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.44 ' HB2' HD22 ' A' ' 19' ' ' LEU . 1.5 tm? -52.62 -51.91 57.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 50.130000000000003 109.322 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -51.38 -50.08 60.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 74.140000000000001 109.275 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 74.019999999999996 110.289 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.338 -0.245 . . . . 52.409999999999997 110.338 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.0 mt -75.73 -54.4 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 54.009999999999998 109.281 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.94 -33.92 65.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 72.340000000000003 109.318 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.07 -29.61 69.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 53.219999999999999 109.287 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.884 HD13 ' HB2' ' B' ' 5' ' ' LEU . 0.2 OUTLIER -61.51 -36.19 79.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 62.200000000000003 109.216 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -68.61 -39.24 80.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 71.129999999999995 110.303 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -25.64 59.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 73.209999999999994 109.248 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -75.54 -54.51 6.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 64.329999999999998 110.295 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.427 HD12 ' N ' ' A' ' 10' ' ' ALA . 2.7 pp -57.5 -34.97 48.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 74.129999999999995 109.296 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.427 ' N ' HD12 ' A' ' 9' ' ' ILE . . . -65.8 -38.33 88.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.567 1.167 . . . . 74.349999999999994 109.302 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 8' ' ' GLU . . . -54.71 -64.97 0.66 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.141 . . . . 74.510000000000005 109.339 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 12' ' ' LEU . 2.6 mm? -54.04 -42.85 69.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 63.210000000000001 109.294 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 10.4 tt0 -57.65 -35.72 70.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 63.240000000000002 110.297 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.49 -27.16 64.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 52.219999999999999 109.292 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -77.23 -49.0 16.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 71.510000000000005 110.329 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.515 ' C ' HD12 ' A' ' 16' ' ' ILE . 1.5 pp -70.38 -27.6 32.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.422 1.077 . . . . 75.239999999999995 109.338 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 13' ' ' GLU . . . -60.95 -31.96 71.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 73.420000000000002 109.294 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.23 -29.43 62.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 51.130000000000003 109.33 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.851 HD13 ' HB2' ' B' ' 19' ' ' LEU . 6.7 tp -67.24 -58.54 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 71.540000000000006 109.248 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -53.06 -56.42 16.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 75.099999999999994 110.319 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 75.129999999999995 109.293 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.428 ' O ' ' HB3' ' B' ' 4' ' ' ALA . 2.1 tptt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.341 -0.615 . . . . 70.319999999999993 109.341 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . 0.542 ' HA ' HD23 ' B' ' 5' ' ' LEU . 1.3 pt -52.87 -37.46 25.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 71.340000000000003 109.326 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.52 -30.04 71.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 53.450000000000003 109.23 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' B' ' 1' ' ' LYS . . . -73.25 -29.03 62.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 73.439999999999998 109.24 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.884 ' HB2' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -69.51 -32.44 71.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 74.099999999999994 109.312 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -63.71 -36.61 84.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 65.040000000000006 109.333 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.43 -32.03 48.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 53.329999999999998 110.245 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.566 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 15.7 mttt -66.64 -54.88 18.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 64.049999999999997 109.311 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.681 ' HA ' HD12 ' B' ' 12' ' ' LEU . 2.8 pp -55.1 -44.98 76.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 54.049999999999997 109.335 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.676 ' N ' HD12 ' B' ' 9' ' ' ILE . . . -60.35 -27.36 67.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 70.439999999999998 109.33 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -70.86 -52.89 17.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 73.209999999999994 109.276 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' B' ' 9' ' ' ILE . 0.3 OUTLIER -64.44 -29.77 70.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 65.030000000000001 109.279 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -71.67 -35.13 70.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 72.420000000000002 109.293 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -29.79 63.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 72.049999999999997 110.369 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.35 -54.67 6.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 74.150000000000006 109.239 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.549 ' CD1' HD23 ' B' ' 19' ' ' LEU . 0.3 OUTLIER -57.1 -34.08 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 63.420000000000002 109.32 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.44 -33.59 59.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 44.109999999999999 109.279 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.74 -49.12 67.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 62.030000000000001 109.312 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.851 ' HB2' HD13 ' A' ' 19' ' ' LEU . 3.7 tp -58.65 -44.71 90.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 44.509999999999998 109.264 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -44.15 71.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 74.25 109.297 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 74.209999999999994 110.329 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.364 -0.236 . . . . 73.510000000000005 110.364 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp -63.08 -23.32 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 75.530000000000001 109.242 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.94 -28.77 63.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 73.209999999999994 109.258 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.14 -41.81 57.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 72.540000000000006 109.264 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.403 ' CD2' HG23 ' B' ' 2' ' ' ILE . 2.7 mm? -70.57 -41.39 72.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 74.340000000000003 109.296 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -61.44 -31.76 71.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 75.230000000000004 110.274 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -69.59 -32.87 71.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.085 . . . . 72.230000000000004 109.225 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.625 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.7 mt-10 -65.44 -30.06 70.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.485 1.116 . . . . 70.209999999999994 110.337 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.7 mt -56.47 -50.53 72.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 72.5 109.318 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.79 -26.44 67.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 60.340000000000003 109.329 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 8' ' ' GLU . . . -66.25 -61.76 1.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 72.299999999999997 109.313 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.569 HD22 ' O ' ' A' ' 8' ' ' GLU . 2.4 mm? -59.17 -30.77 68.42 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.509 1.131 . . . . 52.329999999999998 109.245 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.14 -35.35 76.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 71.109999999999999 110.301 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -70.16 -26.46 63.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 75.450000000000003 109.276 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.596 ' CD ' HD21 ' B' ' 19' ' ' LEU . 0.9 OUTLIER -64.18 -52.48 58.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 72.329999999999998 110.311 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.5 pt -69.11 -27.68 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 62.140000000000001 109.268 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.36 -32.15 69.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 71.439999999999998 109.305 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.49 -46.29 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 61.030000000000001 109.304 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.492 HD13 ' C ' ' A' ' 19' ' ' LEU . 1.8 tm? -56.39 -58.61 7.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 72.030000000000001 109.239 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.444 ' N ' HD13 ' A' ' 19' ' ' LEU . 19.1 tt0 -53.78 -41.02 66.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 64.329999999999998 110.294 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 tptt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 74.200000000000003 109.296 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.476 ' O ' HD22 ' B' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.2 -0.666 . . . . 70.200000000000003 109.2 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . 0.403 HG23 ' CD2' ' A' ' 5' ' ' LEU . 47.4 mt -50.75 -32.08 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 45.200000000000003 109.287 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.29 -33.54 73.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 70.329999999999998 109.307 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' B' ' 1' ' ' LYS . . . -62.89 -42.97 99.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 43.240000000000002 109.321 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.478 ' H ' HD22 ' B' ' 5' ' ' LEU . 2.4 mm? -72.42 -43.81 63.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 72.549999999999997 109.335 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -53.03 -41.48 64.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 52.229999999999997 109.271 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -38.46 80.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 73.329999999999998 110.284 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.413 ' O ' HD22 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -54.3 -52.74 60.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 44.149999999999999 109.318 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.454 HG21 ' HB2' ' A' ' 8' ' ' GLU . 45.6 pt -63.73 -31.49 53.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.172 . . . . 74.430000000000007 109.309 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.11 -26.01 65.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 71.420000000000002 109.316 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.81 -51.67 31.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 109.232 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.413 HD22 ' O ' ' B' ' 8' ' ' LYS . 1.2 mm? -67.07 -34.32 77.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 71.519999999999996 109.324 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.55 -30.09 19.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 74.010000000000005 109.287 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -76.77 -30.29 56.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 72.239999999999995 110.334 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -74.89 -54.28 7.54 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.526 1.141 . . . . 62.100000000000001 109.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 pp -57.89 -32.2 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 75.329999999999998 109.308 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.22 -27.69 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.397 1.061 . . . . 74.109999999999999 109.281 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.68 -51.55 7.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 55.409999999999997 109.322 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.596 HD21 ' CD ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -53.4 -29.72 36.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 71.150000000000006 109.289 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -68.99 -48.46 63.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 74.019999999999996 109.289 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 63.149999999999999 110.293 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.319 -0.252 . . . . 64.209999999999994 110.319 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.719 ' O ' HD12 ' A' ' 5' ' ' LEU . 32.7 pt -80.82 -20.75 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 73.319999999999993 109.274 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.29 -22.06 64.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 55.219999999999999 109.308 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.09 -20.62 64.22 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 45.140000000000001 109.3 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.851 HD13 ' N ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -53.65 -30.88 45.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 72.310000000000002 109.275 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.851 ' N ' HD13 ' A' ' 5' ' ' LEU . 1.8 mt-10 -49.96 -32.16 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 74.230000000000004 110.319 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.94 -41.11 71.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 75.420000000000002 109.263 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.552 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.8 mt-10 -60.35 -29.82 69.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 64.329999999999998 110.351 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.57 HD11 HD23 ' A' ' 5' ' ' LEU . 9.2 mm -64.05 -48.22 86.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 71.230000000000004 109.33 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.13 -26.04 65.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 73.450000000000003 109.271 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 8' ' ' GLU . . . -53.97 -56.25 19.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 50.420000000000002 109.306 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.29 -37.67 66.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.106 . . . . 73.049999999999997 109.309 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.638 ' HA ' HD22 ' B' ' 12' ' ' LEU . 2.9 tt0 -52.62 -38.17 59.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 72.129999999999995 110.311 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.498 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -72.6 -32.13 65.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 71.099999999999994 109.279 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.72 -51.24 63.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 65.219999999999999 110.338 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.412 HG21 ' HB3' ' B' ' 15' ' ' LYS . 4.5 pt -65.02 -28.87 45.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 63.340000000000003 109.264 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 14' ' ' LYS . . . -52.71 -27.93 19.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 62.5 109.324 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.16 -47.89 32.87 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.09 . . . . 73.109999999999999 109.289 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 tp -54.2 -52.11 62.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 72.140000000000001 109.266 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -53.2 -58.12 8.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 72.219999999999999 110.298 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 75.439999999999998 109.262 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.314 -0.624 . . . . 71.420000000000002 109.314 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -45.89 -38.21 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 75.319999999999993 109.315 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.99 -41.76 67.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.171 . . . . 72.329999999999998 109.29 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.18 -61.8 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 61.229999999999997 109.312 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.679 ' HB2' HD23 ' A' ' 5' ' ' LEU . 1.8 pp -54.17 -34.1 59.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 64.129999999999995 109.317 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -63.66 -36.34 83.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 55.130000000000003 109.285 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -77.92 -32.27 51.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 72.400000000000006 110.315 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -48.69 78.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 73.5 109.256 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.407 HG13 ' N ' ' B' ' 10' ' ' ALA . 1.1 pt -71.74 -31.06 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 63.539999999999999 109.312 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.407 ' N ' HG13 ' B' ' 9' ' ' ILE . . . -51.68 -32.79 31.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 62.329999999999998 109.257 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.92 -61.8 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 62.399999999999999 109.315 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.638 HD22 ' HA ' ' A' ' 13' ' ' GLU . 4.0 mt -55.96 -29.8 60.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 72.120000000000005 109.307 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' B' ' 17' ' ' ALA . 12.5 ttmt -64.86 -38.39 90.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 62.43 109.322 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.84 -29.73 62.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 71.530000000000001 110.282 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.412 ' HB3' HG21 ' A' ' 16' ' ' ILE . 4.7 tptt -67.51 -53.14 31.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 64.340000000000003 109.308 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -68.1 -31.67 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 74.519999999999996 109.281 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' B' ' 13' ' ' LYS . . . -49.93 -27.02 4.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 41.340000000000003 109.214 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.52 -34.23 35.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 72.450000000000003 109.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' B' ' 16' ' ' ILE . 16.8 tp -65.01 -50.9 64.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 53.109999999999999 109.287 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.41 -52.99 41.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 74.430000000000007 109.31 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 55.32 110.324 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.341 -0.244 . . . . 43.049999999999997 110.341 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 pp -101.73 -32.77 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 75.219999999999999 109.337 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.0 -22.19 65.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 62.310000000000002 109.322 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.7 -50.06 47.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 73.239999999999995 109.3 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 5' ' ' LEU . 3.3 mm? -61.78 -38.12 86.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 74.150000000000006 109.294 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.583 ' HG3' HD12 ' B' ' 5' ' ' LEU . 3.4 tt0 -59.72 -45.37 92.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 74.099999999999994 110.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.39 -25.5 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.627 1.204 . . . . 74.430000000000007 109.26 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.39 -40.52 64.25 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 71.530000000000001 110.313 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 0.8 OUTLIER -58.26 -25.52 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 72.129999999999995 109.346 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.31 -34.45 75.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 75.109999999999999 109.27 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.01 98.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 74.5 109.282 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.436 ' CD2' HG23 ' B' ' 9' ' ' ILE . 3.3 mm? -70.86 -25.81 62.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 51.439999999999998 109.261 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.667 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -65.82 -36.48 83.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 70.230000000000004 110.185 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -69.09 -27.09 65.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 74.329999999999998 109.26 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.493 ' HB3' HG21 ' B' ' 16' ' ' ILE . 0.4 OUTLIER -70.3 -26.75 63.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 63.109999999999999 110.342 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' A' ' 13' ' ' GLU . 38.2 mt -67.16 -31.08 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 64.109999999999999 109.314 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.86 -39.99 76.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 32.409999999999997 109.271 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.94 -43.27 8.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.183 . . . . 72.340000000000003 109.323 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.875 HD22 HD13 ' B' ' 19' ' ' LEU . 4.5 tp -53.32 -63.02 1.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.073 . . . . 75.299999999999997 109.381 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.61 -59.17 4.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.542 1.151 . . . . 61.549999999999997 110.354 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 73.340000000000003 109.249 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.313 -0.625 . . . . 71.519999999999996 109.313 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 2.0 pp -112.53 -34.0 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 73.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.29 -25.21 62.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 73.140000000000001 109.321 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.34 -59.09 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 72.120000000000005 109.215 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.583 HD12 ' HG3' ' A' ' 6' ' ' GLU . 2.9 mm? -56.14 -39.03 71.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 72.109999999999999 109.307 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.767 ' HA ' HD12 ' B' ' 9' ' ' ILE . 6.2 mttt -50.84 -44.91 59.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 73.430000000000007 109.299 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.26 -31.55 71.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 75.319999999999993 110.287 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.652 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 9.5 ttmt -66.11 -33.39 75.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 43.439999999999998 109.267 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.767 HD12 ' HA ' ' B' ' 6' ' ' LYS . 39.6 mt -62.6 -49.05 85.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 74.430000000000007 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.32 -23.53 65.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 72.530000000000001 109.294 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -61.7 -66.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 73.400000000000006 109.29 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.535 HD12 HD11 ' A' ' 16' ' ' ILE . 3.2 mm? -59.61 -29.71 68.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 73.519999999999996 109.279 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 19.9 tttm -65.26 -34.05 77.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 72.450000000000003 109.261 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.49 -36.99 28.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 71.030000000000001 110.327 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -63.23 -54.18 41.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 60.030000000000001 109.284 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.493 HG21 ' HB3' ' A' ' 15' ' ' GLU . 2.1 pp -55.24 -33.6 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 73.109999999999999 109.244 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.6 -35.9 82.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 63.219999999999999 109.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.92 -33.58 76.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.126 . . . . 53.409999999999997 109.319 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.875 HD13 HD22 ' A' ' 19' ' ' LEU . 12.3 mt -75.91 -36.15 59.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 73.510000000000005 109.324 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -52.63 60.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 72.439999999999998 109.355 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 74.140000000000001 110.289 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.326 -0.25 . . . . 74.109999999999999 110.326 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.4 pt -123.22 -44.92 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 72.510000000000005 109.345 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.92 -24.23 50.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 63.210000000000001 109.305 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.27 -28.95 38.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 63.43 109.29 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.754 ' C ' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -58.18 -43.27 87.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 74.549999999999997 109.309 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 6.3 mt-10 -75.07 -35.92 61.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 75.299999999999997 110.312 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -68.52 -26.15 65.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 75.319999999999993 109.325 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.91 -52.9 8.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 65.109999999999999 110.305 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 pt -69.43 -25.23 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 70.430000000000007 109.362 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -50.48 -28.81 9.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 71.200000000000003 109.328 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 14' ' ' LYS . . . -64.4 -38.52 91.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 64.230000000000004 109.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.568 HD23 HG23 ' B' ' 16' ' ' ILE . 3.0 tm? -44.41 -49.61 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 64.109999999999999 109.291 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -54.02 -38.07 64.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 63.240000000000002 110.306 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -75.15 -26.95 59.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 72.150000000000006 109.309 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.87 -52.22 21.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.079 . . . . 64.319999999999993 110.343 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.4 pt -64.72 -32.64 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 64.319999999999993 109.323 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.61 -27.3 38.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 63.439999999999998 109.305 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.77 -45.51 14.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 55.340000000000003 109.326 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.475 HD22 ' HB2' ' B' ' 19' ' ' LEU . 1.4 tp -53.94 -55.0 31.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 65.049999999999997 109.301 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -60.85 -51.14 70.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 74.519999999999996 110.306 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.4 tttt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 75.25 109.255 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.268 -0.642 . . . . 63.149999999999999 109.268 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 pt -106.89 -28.35 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.497 1.123 . . . . 64.430000000000007 109.344 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.27 -31.91 73.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 71.129999999999995 109.332 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.87 -20.86 38.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 72.219999999999999 109.309 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.914 HD13 ' N ' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -67.82 -39.12 83.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 54.310000000000002 109.281 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.914 ' N ' HD13 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -74.76 -44.57 49.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 74.439999999999998 109.377 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' B' ' 10' ' ' ALA . 1.8 mt-10 -54.37 -49.37 69.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 75.409999999999997 110.335 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.83 -51.43 69.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 51.240000000000002 109.331 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.494 HG23 HD23 ' B' ' 12' ' ' LEU . 7.8 mm -57.62 -31.05 38.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.157 . . . . 52.229999999999997 109.269 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' B' ' 7' ' ' GLU . . . -68.11 -36.55 79.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 73.450000000000003 109.286 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.32 -33.19 72.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 74.200000000000003 109.271 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.494 HD23 HG23 ' B' ' 9' ' ' ILE . 0.1 OUTLIER -65.2 -40.82 94.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 64.129999999999995 109.3 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' B' ' 17' ' ' ALA . 7.5 tttt -69.45 -33.69 73.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 63.409999999999997 109.254 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.93 -30.06 58.58 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.491 1.119 . . . . 74.129999999999995 110.268 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -75.19 -54.63 6.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 72.450000000000003 109.331 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.568 HG23 HD23 ' A' ' 12' ' ' LEU . 2.6 pp -59.63 -34.2 54.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 74.150000000000006 109.337 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' B' ' 13' ' ' LYS . . . -49.09 -43.79 41.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 52.350000000000001 109.275 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.28 -52.74 60.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 64.230000000000004 109.324 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.944 HD22 ' O ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -55.23 -43.67 74.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.168 . . . . 74.310000000000002 109.3 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.429 ' N ' HD13 ' B' ' 19' ' ' LEU . 0.7 OUTLIER -57.11 -49.3 76.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 74.430000000000007 109.324 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 64.200000000000003 110.332 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.283 -0.266 . . . . 43.049999999999997 110.283 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.469 ' O ' HD12 ' A' ' 5' ' ' LEU . 45.1 pt -88.85 -22.29 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 73.310000000000002 109.321 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.02 -23.57 64.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 61.409999999999997 109.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.61 -21.05 24.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 64.25 109.262 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.894 HD13 ' N ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -54.67 -31.95 58.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 72.420000000000002 109.224 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.894 ' N ' HD13 ' A' ' 5' ' ' LEU . 2.2 tt0 -70.79 -33.3 70.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 73.030000000000001 110.262 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -73.68 -36.92 65.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 54.149999999999999 109.244 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.1 mt-10 -65.51 -54.84 22.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 62.43 110.304 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.798 HG23 HD11 ' B' ' 12' ' ' LEU . 85.6 mt -54.6 -39.19 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 73.140000000000001 109.301 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.82 -26.18 65.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 72.150000000000006 109.28 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 8' ' ' GLU . . . -71.49 -50.24 33.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 61.409999999999997 109.325 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -47.29 78.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 73.519999999999996 109.224 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.959 ' HA ' HD12 ' A' ' 16' ' ' ILE . 11.5 tt0 -56.25 -50.57 70.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 74.030000000000001 110.323 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -52.84 -25.27 10.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 74.310000000000002 109.265 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 2.8 tt0 -79.37 -39.71 31.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.416 1.073 . . . . 73.430000000000007 110.286 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.959 HD12 ' HA ' ' A' ' 13' ' ' GLU . 4.7 mt -67.47 -52.97 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 71.049999999999997 109.267 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.17 -27.95 9.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 73.219999999999999 109.244 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 15' ' ' GLU . . . -69.31 -46.04 68.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 72.430000000000007 109.267 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.752 ' C ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.53 -32.01 73.34 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.544 1.153 . . . . 70.120000000000005 109.251 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.416 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -70.09 -58.52 3.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 75.129999999999995 110.324 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 74.319999999999993 109.291 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.314 -0.624 . . . . 65.450000000000003 109.314 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 21.6 pt -73.87 -37.9 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 75.430000000000007 109.259 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.46 -27.77 64.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 54.5 109.344 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.42 -62.68 1.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 73.519999999999996 109.278 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.885 HD22 ' CB ' ' A' ' 5' ' ' LEU . 3.6 pp -58.11 -33.46 69.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 75.150000000000006 109.319 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -32.5 74.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 52.210000000000001 109.273 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.516 ' O ' ' HB3' ' B' ' 10' ' ' ALA . 23.1 tt0 -78.35 -46.85 19.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.401 1.063 . . . . 63.109999999999999 110.254 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -55.41 -54.83 38.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 55.140000000000001 109.326 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.446 ' CG1' ' O ' ' B' ' 5' ' ' LEU . 1.6 pp -56.12 -30.99 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 63.439999999999998 109.296 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' B' ' 7' ' ' GLU . . . -68.04 -36.53 80.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 74.409999999999997 109.248 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.39 -44.35 87.79 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.578 1.173 . . . . 74.109999999999999 109.253 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.798 HD11 HG23 ' A' ' 9' ' ' ILE . 5.3 mt -72.43 -32.7 66.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 60.399999999999999 109.353 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -69.95 -29.09 66.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 50.100000000000001 109.305 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -80.99 -29.56 35.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 72.140000000000001 110.323 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -75.02 -46.78 32.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 71.310000000000002 109.315 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.583 HG23 ' O ' ' B' ' 12' ' ' LEU . 2.0 pp -64.3 -30.96 51.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 54.439999999999998 109.264 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.12 -24.89 1.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 72.349999999999994 109.273 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.05 -41.98 24.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 74.219999999999999 109.243 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.909 HD22 ' O ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -62.55 -47.73 82.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 75.5 109.333 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -52.21 -46.23 65.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 71.430000000000007 109.282 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 72.230000000000004 110.342 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.476 ' N ' ' HB3' ' A' ' 4' ' ' ALA . 12.5 mt-10 . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.323 -0.251 . . . . 73.030000000000001 110.323 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 86.6 mt -128.82 -62.35 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 75.040000000000006 109.249 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.4 -22.77 57.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 23.350000000000001 109.323 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.476 ' HB3' ' N ' ' A' ' 1' ' ' GLU . . . -75.1 -22.87 57.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 72.230000000000004 109.248 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.838 ' HG ' HD13 ' B' ' 5' ' ' LEU . 0.2 OUTLIER -55.52 -32.82 63.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 52.149999999999999 109.281 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -67.55 -31.32 71.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 73.239999999999995 110.3 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.62 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -74.75 -47.81 29.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 75.310000000000002 109.33 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -59.23 -53.69 55.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 72.120000000000005 110.337 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.543 HG23 ' O ' ' A' ' 5' ' ' LEU . 2.2 pp -58.26 -31.03 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 61.32 109.334 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . -55.55 -28.04 52.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 42.549999999999997 109.328 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.81 -34.77 78.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 54.299999999999997 109.329 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.769 ' HG ' HD13 ' B' ' 12' ' ' LEU . 1.7 mm? -70.19 -45.57 66.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 62.149999999999999 109.286 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -31.65 52.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 73.150000000000006 110.288 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.609 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -76.5 -36.47 57.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 64.230000000000004 109.363 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -65.12 -52.89 52.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 71.310000000000002 110.317 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.403 HG21 ' HB3' ' B' ' 15' ' ' LYS . 2.2 pp -61.19 -26.28 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 74.219999999999999 109.324 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 14' ' ' LYS . . . -52.13 -30.49 26.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 61.520000000000003 109.31 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -39.0 76.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 62.329999999999998 109.332 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.879 HD22 ' HB2' ' B' ' 19' ' ' LEU . 7.2 tp -64.15 -54.14 38.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 64.340000000000003 109.258 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -56.55 20.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 64.319999999999993 110.303 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 71.239999999999995 109.287 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.311 -0.626 . . . . 74.540000000000006 109.311 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 37.7 pt -107.1 -33.56 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 63.520000000000003 109.33 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.5 -27.46 68.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.41 1.069 . . . . 51.439999999999998 109.353 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.01 -54.56 45.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 74.150000000000006 109.335 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.838 HD13 ' HG ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -52.84 -39.57 62.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 65.219999999999999 109.28 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.35 -40.91 92.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 63.399999999999999 109.311 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -72.54 -33.21 66.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 65.230000000000004 110.352 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -53.7 51.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 62.350000000000001 109.265 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 34.6 pt -60.68 -32.1 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 70.120000000000005 109.296 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.55 -25.09 62.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 70.150000000000006 109.369 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.38 -57.54 3.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 73.319999999999993 109.363 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.784 ' C ' HD12 ' B' ' 12' ' ' LEU . 0.4 OUTLIER -55.72 -34.41 65.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 72.439999999999998 109.279 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.465 ' N ' HD12 ' B' ' 12' ' ' LEU . 2.4 tmtt? -66.89 -31.45 72.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 53.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -78.5 -40.19 35.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 65.340000000000003 110.307 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.403 ' HB3' HG21 ' A' ' 16' ' ' ILE . 6.2 mttm -64.75 -52.55 56.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 62.310000000000002 109.31 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.541 HD12 ' N ' ' B' ' 17' ' ' ALA . 2.1 pp -59.63 -36.69 66.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 54.340000000000003 109.31 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.541 ' N ' HD12 ' B' ' 16' ' ' ILE . . . -53.65 -51.63 62.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 63.109999999999999 109.332 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.64 -63.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 62.520000000000003 109.329 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.879 ' HB2' HD22 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -52.1 -34.43 44.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 61.439999999999998 109.33 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -50.71 69.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 74.049999999999997 109.35 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 74.510000000000005 110.302 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.332 -0.248 . . . . 72.200000000000003 110.332 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -92.27 -28.4 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 73.099999999999994 109.319 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.76 -31.23 71.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 71.230000000000004 109.282 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.43 -21.89 62.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 54.32 109.36 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.741 ' C ' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -54.42 -45.09 72.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 71.540000000000006 109.305 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 4.6 tt0 -62.77 -36.25 82.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 62.210000000000001 110.308 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -26.66 61.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 73.030000000000001 109.324 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.402 ' HB3' HD11 ' B' ' 9' ' ' ILE . 0.1 OUTLIER -72.52 -51.08 21.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 61.109999999999999 110.268 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.534 HG21 ' CG ' ' B' ' 8' ' ' LYS . 2.4 pt -70.92 -31.54 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 74.420000000000002 109.378 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -60.6 -28.02 68.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 62.420000000000002 109.326 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.46 87.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 73.129999999999995 109.324 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -87.99 -21.06 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 72.150000000000006 109.323 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.507 ' N ' HD22 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -73.53 -37.03 65.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 73.209999999999994 110.288 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -26.53 60.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 75.200000000000003 109.283 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.65 -53.15 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 74.400000000000006 110.369 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.662 HG21 ' HB3' ' B' ' 15' ' ' LYS . 1.8 pp -64.4 -26.0 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 64.120000000000005 109.331 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.77 -23.62 4.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.439 1.087 . . . . 63.32 109.26 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.02 -47.76 56.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.433 1.083 . . . . 54.32 109.309 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.41 -59.54 4.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 72.209999999999994 109.266 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -52.41 -57.81 8.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.494 1.121 . . . . 72.099999999999994 110.234 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 72.430000000000007 109.33 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.331 -0.618 . . . . 74.140000000000001 109.331 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 1.2 pt -72.11 -32.09 42.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 54.149999999999999 109.34 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.21 -26.7 64.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 53.539999999999999 109.31 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.47 -39.78 27.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 73.329999999999998 109.241 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.732 HD13 ' C ' ' B' ' 5' ' ' LEU . 0.4 OUTLIER -66.4 -34.51 78.11 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.538 1.149 . . . . 70.420000000000002 109.333 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -53.67 -49.71 67.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.622 1.201 . . . . 74.239999999999995 109.329 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -77.17 -34.04 56.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 71.409999999999997 110.363 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.546 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 20.8 tptt -51.0 -41.76 59.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 75.219999999999999 109.322 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.402 HD11 ' HB3' ' A' ' 8' ' ' GLU . 4.9 mm -67.19 -43.37 88.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 64.049999999999997 109.313 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.406 ' HA ' ' CB ' ' B' ' 13' ' ' LYS . . . -59.23 -29.19 67.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 74.519999999999996 109.249 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -53.11 -54.97 27.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.442 1.089 . . . . 72.129999999999995 109.353 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.507 HD22 ' N ' ' A' ' 13' ' ' GLU . 1.5 mp -75.6 -31.9 60.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 51.409999999999997 109.278 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.568 ' HA ' HD12 ' B' ' 16' ' ' ILE . 0.1 OUTLIER -50.78 -33.88 25.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 51.020000000000003 109.343 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 2.7 tt0 -78.96 -39.91 33.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 61.25 110.291 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.662 ' HB3' HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -58.67 -39.86 81.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 70.420000000000002 109.273 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' B' ' 13' ' ' LYS . 13.5 mt -63.87 -35.62 73.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 42.43 109.293 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' B' ' 14' ' ' GLU . . . -55.9 -28.44 56.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 60.240000000000002 109.266 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' B' ' 15' ' ' LYS . . . -67.16 -57.82 6.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 71.430000000000007 109.325 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.521 HD13 ' C ' ' B' ' 19' ' ' LEU . 2.6 tm? -53.87 -50.18 66.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 70.340000000000003 109.258 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.17 -45.92 65.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 61.409999999999997 109.302 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 74.329999999999998 110.315 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.335 -0.246 . . . . 64.540000000000006 110.335 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.535 HG23 HD23 ' A' ' 5' ' ' LEU . 21.1 mt -113.36 -35.2 2.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 64.319999999999993 109.25 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.36 -23.96 67.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 53.399999999999999 109.377 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.27 -21.15 59.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 34.119999999999997 109.3 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.535 HD23 HG23 ' A' ' 2' ' ' ILE . 0.2 OUTLIER -59.23 -40.68 86.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.179 . . . . 64.310000000000002 109.323 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.21 -42.57 86.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 73.140000000000001 110.318 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -75.14 -30.04 60.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 70.209999999999994 109.33 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.542 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -64.07 -53.35 51.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 70.530000000000001 110.283 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.497 HG23 HD23 ' B' ' 5' ' ' LEU . 46.9 pt -58.79 -33.89 50.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.606 1.191 . . . . 75.219999999999999 109.333 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.29 -25.9 67.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 74.120000000000005 109.318 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 8' ' ' GLU . . . -56.37 -41.84 76.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 72.420000000000002 109.363 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.67 ' HB2' HD13 ' B' ' 12' ' ' LEU . 2.0 mm? -88.72 -31.46 18.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.164 . . . . 75.329999999999998 109.273 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.44 -39.83 70.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 71.25 110.3 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -69.79 -27.27 64.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 72.530000000000001 109.314 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.22 -49.77 26.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 73.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.4 HG22 ' HB3' ' B' ' 15' ' ' LYS . 1.2 pt -71.4 -27.94 30.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 74.530000000000001 109.298 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.92 -23.22 67.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 72.319999999999993 109.262 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.61 -50.53 10.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 51.409999999999997 109.328 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.27 -43.23 82.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 74.109999999999999 109.303 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.2 -50.42 72.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 75.200000000000003 110.295 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 74.340000000000003 109.278 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.294 -0.632 . . . . 71.299999999999997 109.294 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -47.22 -39.03 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 73.099999999999994 109.263 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.39 -41.13 94.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 73.030000000000001 109.301 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.79 -35.45 80.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 64.420000000000002 109.265 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.629 HD13 ' C ' ' B' ' 5' ' ' LEU . 0.7 OUTLIER -57.25 -51.91 67.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.591 1.182 . . . . 65.310000000000002 109.279 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.554 ' N ' HD13 ' B' ' 5' ' ' LEU . 4.5 ttpt -51.55 -35.17 39.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 73.439999999999998 109.36 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -75.69 -32.64 60.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.554 1.159 . . . . 64.409999999999997 110.257 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.401 ' HB3' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -66.48 -54.67 21.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 75.400000000000006 109.352 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 45.9 pt -63.52 -33.56 62.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 74.530000000000001 109.338 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.91 -26.94 65.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 71.319999999999993 109.334 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.63 -48.88 20.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.593 1.183 . . . . 64.310000000000002 109.346 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.67 HD13 ' HB2' ' A' ' 12' ' ' LEU . 3.0 mt -67.26 -30.16 69.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 54.109999999999999 109.276 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -57.09 -29.34 63.41 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.446 1.091 . . . . 55.340000000000003 109.345 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -76.15 -30.67 58.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 74.340000000000003 110.322 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' B' ' 18' ' ' ALA . 18.6 mttt -75.09 -54.61 6.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 74.209999999999994 109.299 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.522 HD12 ' N ' ' B' ' 17' ' ' ALA . 2.2 pp -57.43 -32.1 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 72.040000000000006 109.286 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.522 ' N ' HD12 ' B' ' 16' ' ' ILE . . . -63.8 -25.18 68.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 55.200000000000003 109.292 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' B' ' 15' ' ' LYS . . . -76.24 -51.82 11.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 14.32 109.285 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.03 -37.94 64.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 71.230000000000004 109.289 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -59.78 -50.16 74.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 72.030000000000001 109.309 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 73.0 110.366 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 110.327 -0.249 . . . . 71.239999999999995 110.327 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.581 ' O ' HD23 ' A' ' 5' ' ' LEU . 30.0 pt -89.69 -21.18 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 74.329999999999998 109.245 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.33 -30.78 67.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.409 1.068 . . . . 62.229999999999997 109.246 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.09 68.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 45.219999999999999 109.271 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 2' ' ' ILE . 0.3 OUTLIER -56.16 -32.05 63.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 72.430000000000007 109.332 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 4.7 tt0 -72.88 -37.85 67.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 64.019999999999996 110.377 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -28.71 61.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 74.040000000000006 109.367 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.18 -50.29 41.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 71.439999999999998 110.274 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.33 -35.05 60.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 65.310000000000002 109.395 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -58.33 -29.93 66.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 65.120000000000005 109.311 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.25 -61.92 2.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 54.350000000000001 109.318 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.699 HD12 HG21 ' B' ' 16' ' ' ILE . 3.0 mm? -59.05 -25.59 63.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 73.439999999999998 109.286 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -62.86 -36.5 83.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 64.420000000000002 110.288 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -70.87 -26.32 63.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 60.32 109.266 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.625 ' OE1' HD13 ' A' ' 12' ' ' LEU . 1.1 mp0 -76.34 -50.81 13.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 74.219999999999999 110.314 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.422 HD12 ' C ' ' A' ' 16' ' ' ILE . 2.1 pp -68.14 -30.28 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 72.409999999999997 109.306 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 13' ' ' GLU . . . -59.81 -24.46 64.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 75.420000000000002 109.268 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.75 -49.21 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 71.219999999999999 109.322 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.629 HD13 ' HB2' ' B' ' 19' ' ' LEU . 0.2 OUTLIER -53.51 -41.98 66.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 72.5 109.296 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -67.39 -49.07 65.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.414 1.071 . . . . 75.420000000000002 110.298 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 53.149999999999999 109.287 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.263 -0.643 . . . . 73.5 109.263 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 5.8 pt -74.55 -37.58 44.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 75.219999999999999 109.281 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.02 85.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 75.200000000000003 109.294 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.18 -39.46 68.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 71.040000000000006 109.345 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.765 ' C ' HD23 ' B' ' 5' ' ' LEU . 0.2 OUTLIER -57.6 -34.3 69.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 74.409999999999997 109.285 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.651 ' N ' HD23 ' B' ' 5' ' ' LEU . 1.8 tttt -64.18 -47.43 79.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.484 1.115 . . . . 74.109999999999999 109.292 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.98 -33.22 75.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 75.239999999999995 110.275 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.444 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 1.2 mptt -61.38 -54.85 38.31 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.608 1.193 . . . . 75.099999999999994 109.268 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.422 ' HA ' HD12 ' B' ' 12' ' ' LEU . 20.2 pt -61.03 -32.9 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 71.510000000000005 109.323 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.72 -23.54 62.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 75.109999999999999 109.279 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -72.55 -48.67 38.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 54.240000000000002 109.253 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' B' ' 9' ' ' ILE . 0.3 OUTLIER -74.46 -30.04 61.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 72.209999999999994 109.246 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -59.5 -28.97 67.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 73.219999999999999 109.25 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 0.7 OUTLIER -76.52 -37.95 55.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 70.129999999999995 110.227 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -54.59 22.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 64.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.699 HG21 HD12 ' A' ' 12' ' ' LEU . 2.2 pp -55.18 -32.48 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 62.140000000000001 109.255 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' B' ' 14' ' ' GLU . . . -60.12 -33.48 72.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 74.230000000000004 109.294 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.1 -57.76 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 62.109999999999999 109.258 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.629 ' HB2' HD13 ' A' ' 19' ' ' LEU . 1.5 tp -51.32 -40.33 58.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 74.129999999999995 109.34 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -52.15 66.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 62.409999999999997 109.323 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 74.209999999999994 110.296 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.491 ' O ' HD23 ' A' ' 5' ' ' LEU . 25.0 mt-10 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.304 -0.258 . . . . 62.520000000000003 110.304 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mt -72.33 -53.11 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 71.109999999999999 109.345 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.12 -21.12 59.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 62.420000000000002 109.341 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.01 -59.05 4.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 63.210000000000001 109.274 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.696 HD13 ' HB3' ' B' ' 5' ' ' LEU . 3.7 pp -61.0 -38.86 87.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 70.120000000000005 109.293 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -53.14 -35.25 59.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 72.150000000000006 110.351 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -75.09 -38.45 61.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 109.354 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -61.05 -54.49 44.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 75.129999999999995 110.322 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 pp -61.71 -25.6 37.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 75.340000000000003 109.308 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . -68.99 -25.95 64.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 60.200000000000003 109.353 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 14' ' ' LYS . . . -66.44 -35.16 79.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 62.240000000000002 109.324 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.708 HD12 ' CB ' ' B' ' 12' ' ' LEU . 5.2 tt -49.56 -37.44 27.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 62.530000000000001 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.588 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -65.2 -32.66 74.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 65.109999999999999 110.309 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -76.53 -42.96 41.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 65.030000000000001 109.331 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.41 -54.59 41.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 74.430000000000007 110.282 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.568 HG23 ' O ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -63.14 -26.14 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 75.420000000000002 109.346 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' A' ' 13' ' ' GLU . . . -70.85 -32.72 69.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 41.409999999999997 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.46 -62.19 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 74.209999999999994 109.288 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.492 ' C ' HD12 ' A' ' 19' ' ' LEU . 2.5 pp -55.54 -37.44 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 73.329999999999998 109.31 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.431 ' CB ' ' O ' ' A' ' 16' ' ' ILE . 25.1 tt0 -58.83 -52.83 64.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 71.049999999999997 110.249 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 tttm . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 71.25 109.261 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 7.2 mttt . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.273 -0.64 . . . . 72.239999999999995 109.273 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . 0.619 ' O ' HD12 ' B' ' 5' ' ' LEU . 1.1 pp -60.95 -23.34 29.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 72.430000000000007 109.331 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.26 -25.5 66.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 74.230000000000004 109.372 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.93 -21.36 20.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 72.510000000000005 109.322 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.9 HD13 ' N ' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -52.53 -33.06 43.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 71.540000000000006 109.254 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.9 ' N ' HD13 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -67.39 -35.89 80.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 44.049999999999997 109.326 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -73.66 -45.32 53.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 75.329999999999998 110.296 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 3.3 mmtt -60.59 -53.87 52.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.064 . . . . 63.039999999999999 109.346 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.418 HD13 HD22 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -62.13 -33.25 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 74.010000000000005 109.34 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' B' ' 6' ' ' LYS . . . -64.36 -25.56 68.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.355 1.034 . . . . 74.230000000000004 109.274 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' B' ' 8' ' ' LYS . . . -74.8 -24.31 58.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 63.530000000000001 109.364 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.81 ' O ' HG23 ' B' ' 16' ' ' ILE . 0.0 OUTLIER -74.41 -32.01 62.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 63.140000000000001 109.305 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.471 ' N ' HD23 ' B' ' 12' ' ' LEU . 21.5 mtpt -69.91 -42.59 73.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 74.409999999999997 109.312 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -74.26 -30.3 62.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 44.229999999999997 110.285 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.429 ' HB3' HG22 ' A' ' 16' ' ' ILE . 4.9 mmtt -67.13 -51.57 52.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 71.040000000000006 109.289 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.81 HG23 ' O ' ' B' ' 12' ' ' LEU . 11.3 pt -63.07 -34.66 67.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 73.329999999999998 109.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.96 -32.54 15.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 72.400000000000006 109.27 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.53 -50.41 72.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 64.430000000000007 109.375 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.451 ' O ' HD13 ' B' ' 19' ' ' LEU . 1.3 tm? -61.93 -47.75 83.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 62.039999999999999 109.256 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -47.69 60.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 74.340000000000003 109.242 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 63.439999999999998 110.245 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.377 -0.231 . . . . 74.329999999999998 110.377 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.6 pt -72.57 -29.15 29.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 62.409999999999997 109.32 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.94 -25.3 63.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 74.230000000000004 109.312 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.95 -47.6 68.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 32.340000000000003 109.277 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.9 HD13 ' N ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -59.8 -42.89 94.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 74.439999999999998 109.284 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.9 ' N ' HD13 ' A' ' 5' ' ' LEU . 3.3 tt0 -58.22 -44.81 88.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 75.209999999999994 110.349 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -33.37 73.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 73.25 109.298 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.534 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 7.8 mm-40 -63.63 -54.84 29.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 75.299999999999997 110.305 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.468 HG23 HD22 ' A' ' 5' ' ' LEU . 48.4 pt -62.7 -42.58 96.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 75.340000000000003 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.403 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -56.62 -25.67 53.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 75.439999999999998 109.346 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 8' ' ' GLU . . . -71.53 -59.47 2.74 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.451 1.094 . . . . 33.539999999999999 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.747 HD13 ' C ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -45.82 -29.8 1.46 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.549 1.156 . . . . 71.510000000000005 109.273 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.38 -42.97 74.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 63.43 110.276 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -74.08 -27.46 60.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 63.240000000000002 109.311 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -68.55 -54.35 17.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 64.120000000000005 110.311 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.575 HG23 HD22 ' A' ' 12' ' ' LEU . 15.8 pt -60.21 -26.05 35.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 74.319999999999993 109.279 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.64 -27.4 67.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 73.340000000000003 109.303 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.64 -45.25 9.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 71.299999999999997 109.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.579 ' C ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -55.75 -46.22 77.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 44.140000000000001 109.34 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -70.35 -41.19 73.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 71.420000000000002 110.35 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 54.229999999999997 109.359 179.898 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' B' ' 4' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.249 -0.648 . . . . 73.340000000000003 109.249 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . 0.423 ' HA ' HD12 ' B' ' 5' ' ' LEU . 3.9 mt -60.37 -44.6 96.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 74.120000000000005 109.313 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.23 -30.96 71.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 64.049999999999997 109.324 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' B' ' 1' ' ' LYS . . . -62.74 -48.89 77.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 70.120000000000005 109.313 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' B' ' 2' ' ' ILE . 0.8 OUTLIER -67.98 -32.63 73.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 70.099999999999994 109.297 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.54 ' O ' HG22 ' B' ' 9' ' ' ILE . 0.0 OUTLIER -59.95 -46.96 87.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 65.239999999999995 109.317 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.631 ' O ' ' HB3' ' B' ' 10' ' ' ALA . 1.0 OUTLIER -70.15 -46.51 64.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 74.329999999999998 110.268 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -50.94 -53.69 30.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 60.130000000000003 109.274 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.844 HD13 ' O ' ' B' ' 9' ' ' ILE . 0.1 OUTLIER -62.39 -32.92 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 60.420000000000002 109.282 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' B' ' 7' ' ' GLU . . . -55.18 -23.47 21.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 74.310000000000002 109.312 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.91 89.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 75.239999999999995 109.328 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.449 HD22 ' HG ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -77.81 -34.81 51.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 74.439999999999998 109.314 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.6 -34.45 26.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 74.409999999999997 109.298 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.44 -27.63 34.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.143 . . . . 70.510000000000005 110.289 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -67.87 -45.03 75.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 75.540000000000006 109.301 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 6.8 pt -71.23 -31.32 43.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 63.25 109.27 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.16 -28.89 8.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 62.450000000000003 109.326 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.44 -48.42 64.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 63.210000000000001 109.305 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.15 -35.59 75.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 65.430000000000007 109.42 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -51.18 58.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 71.349999999999994 109.364 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 73.319999999999993 110.24 179.98 . . . . . . . . 0 0 . 1 stop_ save_