data_1hu5_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 1hu5 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 6' ' ' ILE . . . . . 0.556 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.4 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.56 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.59 -37.19 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.09 -14.52 25.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.556 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.8 OUTLIER -68.44 -28.15 66.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.56 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.63 -59.62 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.601 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 11.0 tt -60.84 -11.66 4.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.63 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.3 t60 -94.26 -60.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.588 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.716 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.93 -43.95 70.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.531 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 54.8 mt -61.62 -43.13 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.601 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.61 -51.7 12.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.361 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.63 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.9 -48.04 72.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.716 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.37 -71.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.531 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.6 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.561 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.63 -37.2 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.1 -14.5 25.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -68.44 -28.19 66.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.561 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.62 -59.66 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.603 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -60.77 -11.72 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.622 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.14 -60.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.578 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.723 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.86 -43.96 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.528 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 14.7 mm -61.56 -43.13 96.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.603 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.66 -51.66 12.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.622 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -65.91 -48.02 72.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.723 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.43 -71.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.528 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.563 ' O ' ' N ' ' A' ' 9' ' ' LYS . 2.9 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.565 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.75 -37.13 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -94.08 -14.02 26.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.563 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.9 OUTLIER -68.53 -28.23 66.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.565 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.55 -59.71 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.322 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.609 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 2.1 tt -60.81 -11.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.559 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.24 -60.23 1.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.57 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.724 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.87 -44.03 70.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.533 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 88.9 mt -61.53 -43.11 96.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.57 -51.8 12.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.78 -47.96 73.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.724 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.52 -71.38 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.566 1.166 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.551 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.6 mt . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.568 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.63 -37.2 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.11 -14.46 25.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.551 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.9 ttpt -68.55 -28.1 66.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.568 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.62 -59.66 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.609 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 8.3 tp -60.81 -11.72 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.619 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.18 -60.27 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.605 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.698 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.56 -43.92 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.533 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 18.0 mm -61.7 -43.89 97.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -74.84 -50.97 15.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.619 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -65.49 -49.02 70.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.698 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.63 -71.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 111.023 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.038 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.567 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.4 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.555 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.58 -36.94 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -94.38 -14.89 24.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.9 OUTLIER -68.55 -28.01 66.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.555 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.64 -59.66 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.597 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -60.79 -11.71 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.6 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.21 -60.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.583 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.716 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.88 -43.94 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 72.7 mt -61.57 -43.13 96.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.597 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.61 -51.74 12.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.6 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.8 OUTLIER -65.87 -47.97 73.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.716 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.42 -71.35 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.977 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.575 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.3 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.545 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.07 -32.85 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.33 -19.72 19.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.3 OUTLIER -70.97 -27.96 64.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.545 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.95 -59.28 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.61 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 1.2 tt -61.18 -11.53 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.594 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.3 t60 -94.53 -60.17 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.614 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.698 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.9 -43.86 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.523 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 50.6 mt -61.74 -43.26 96.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.61 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.77 -51.66 12.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.68 -48.13 73.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.698 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.55 -71.28 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.598 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.7 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.566 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.77 -30.1 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -94.38 -15.88 23.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.598 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -68.87 -27.86 66.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.566 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -61.13 -59.68 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.609 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -60.78 -11.86 4.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.521 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -93.89 -60.12 1.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.603 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.725 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.99 -43.89 71.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.521 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 86.3 mt -61.65 -43.0 96.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.72 -51.75 12.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.8 OUTLIER -65.82 -48.03 73.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.725 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.4 -71.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.521 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.587 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.7 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.578 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.8 -30.01 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.47 -15.92 23.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -68.83 -27.94 66.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.578 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -61.12 -59.74 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.606 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 2.1 tp -60.77 -11.89 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.588 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -93.83 -60.23 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.602 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.721 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.93 -43.88 70.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.519 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 65.5 mt -61.64 -43.0 96.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.606 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.77 -51.73 11.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.588 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.83 -47.99 73.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.721 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.44 -71.29 0.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.519 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.652 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.9 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.562 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.76 -29.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.26 -15.07 24.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.652 ' N ' ' O ' ' A' ' 6' ' ' ILE . 15.2 mtpt -68.0 -28.12 67.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.562 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.59 -59.72 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.585 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 5.1 tt -60.8 -11.77 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.596 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.13 -60.21 1.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.575 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.712 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.91 -43.93 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 56.9 mt -61.6 -43.11 96.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.585 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.59 -51.7 12.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.596 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.93 -47.98 72.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.712 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.46 -71.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.665 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.7 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.568 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.76 -29.21 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.19 -15.11 24.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.665 ' N ' ' O ' ' A' ' 6' ' ' ILE . 12.2 mtpt -67.95 -28.16 67.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.568 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.66 -59.65 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.604 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 9.3 tt -60.73 -11.89 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.605 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.03 -60.2 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.621 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.721 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.83 -43.95 69.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 20.9 mm -61.63 -43.1 96.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.604 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.66 -51.61 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.605 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.98 -47.94 72.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.721 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.43 -71.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.545 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.6 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.577 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.97 -38.15 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.527 ' O ' ' CD ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -93.37 -13.64 27.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.545 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -69.15 -28.33 66.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.368 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.577 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.91 -60.03 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.602 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -59.91 -12.76 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.34 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.613 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -92.0 -58.9 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.635 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.718 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -55.16 -44.11 73.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 44.2 mt -61.55 -43.08 96.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.602 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.53 -51.73 12.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.613 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -65.95 -47.96 72.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.718 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.36 -71.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.655 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.9 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.566 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.56 -29.29 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.22 -14.96 25.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.655 ' N ' ' O ' ' A' ' 6' ' ' ILE . 24.8 mttt -67.94 -28.14 67.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.566 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.61 -59.76 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.604 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -60.71 -11.8 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.615 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.09 -60.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.596 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.693 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.93 -43.87 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.53 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 76.3 mt -61.66 -43.08 96.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.604 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.63 -51.75 12.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.615 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -65.89 -48.01 72.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.693 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.4 -71.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.53 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.669 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.7 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.557 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.55 -29.26 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.18 -14.98 25.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.669 ' N ' ' O ' ' A' ' 6' ' ' ILE . 21.3 mttm -67.88 -28.16 67.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.557 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.58 -59.73 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.597 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -60.75 -11.75 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.544 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.24 -60.27 1.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.584 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.706 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.6 -43.88 66.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.525 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 56.9 mt -61.78 -43.64 97.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.597 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.05 -51.2 14.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.55 -48.61 71.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.706 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.71 -71.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.525 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.616 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.8 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.57 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.23 -29.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -94.27 -15.17 24.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.616 ' N ' ' O ' ' A' ' 6' ' ' ILE . 7.7 mtmt -68.13 -28.11 67.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.358 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.57 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.57 -59.6 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.63 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 5.9 tp -61.02 -11.29 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -94.72 -60.3 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.527 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.778 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -53.96 -43.15 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.578 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 21.2 mm -63.92 -43.12 97.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.63 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -72.44 -48.56 40.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -50.45 21.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.778 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.43 -75.94 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.578 ' HA3' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.564 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.8 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.569 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.55 -37.32 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.09 -14.45 25.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.564 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.6 ttpp -68.51 -28.13 66.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.569 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.63 -59.72 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.608 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -60.73 -11.79 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.592 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.13 -60.19 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.56 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.721 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.91 -43.92 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.527 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 65.7 mt -61.63 -43.08 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.608 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.64 -51.7 12.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.9 -48.04 72.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.721 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.41 -71.28 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.64 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.5 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.57 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.97 -28.84 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.405 ' HG2' HG21 ' A' ' 7' ' ' ILE . 0.8 OUTLIER -94.4 -15.37 24.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.64 ' N ' ' O ' ' A' ' 6' ' ' ILE . 8.1 mtpt -68.01 -28.1 67.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.57 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.61 -59.59 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.359 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.606 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 8.1 tp -60.78 -11.76 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.624 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.2 -60.34 1.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.626 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.699 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.53 -43.96 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.522 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 67.5 mt -61.68 -43.69 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.606 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -75.03 -51.2 14.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.624 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.57 -48.66 71.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.699 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.67 -71.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.948 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.651 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.7 mt . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.558 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.13 -28.71 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.39 -15.52 24.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.651 ' N ' ' O ' ' A' ' 6' ' ' ILE . 13.4 mtpt -67.92 -28.12 67.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.558 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.58 -59.59 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.609 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 1.1 tp -60.78 -11.81 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.243 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.579 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.17 -60.22 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.572 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.714 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.82 -43.98 69.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 69.9 mt -61.62 -43.13 96.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.68 -51.63 12.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.7 OUTLIER -65.91 -47.96 73.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.714 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.49 -71.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.671 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.4 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.516 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.77 -39.54 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.544 ' O ' ' CD ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -81.56 -2.89 51.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.671 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -67.64 -28.0 67.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.516 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 1.1 pp -60.91 -60.27 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.614 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 3.6 tp -60.3 -11.97 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.608 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -93.83 -60.22 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.592 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.7 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.76 -43.82 68.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 5.7 mm -61.74 -43.22 96.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.614 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.78 -51.69 12.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.608 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -65.7 -48.04 73.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.7 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.57 -71.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.8 mt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.536 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -42.98 -32.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.343 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.49 -20.0 18.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' ILE . 5.5 pttt -70.92 -27.9 64.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.536 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.84 -59.3 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.596 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 8.0 tp -61.15 -11.58 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.628 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.52 -60.07 1.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.601 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.714 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.94 -43.83 70.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.523 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 62.4 mt -61.86 -43.21 97.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.75 -51.64 12.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.628 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.3 OUTLIER -65.76 -48.09 73.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.714 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.51 -71.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 111.047 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.625 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.5 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.563 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.49 -29.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.36 -15.51 24.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.625 ' N ' ' O ' ' A' ' 6' ' ' ILE . 3.3 mttt -68.06 -28.12 67.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.563 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.57 -59.7 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.602 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -60.77 -11.75 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.12 -60.35 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.602 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.701 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.49 -44.06 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.533 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 8.7 mm -61.55 -43.73 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.602 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -74.83 -50.93 15.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -65.73 -48.83 70.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.701 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.6 -71.2 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.6 pttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -56.95 -85.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.467 ' CD1' HD13 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -117.82 -0.85 11.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.416 ' O ' HG23 ' A' ' 7' ' ' ILE . 8.7 mmt180 -62.92 -65.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -49.61 -27.55 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.556 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.4 mt -65.53 -52.83 46.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.56 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.59 -37.19 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.09 -14.52 25.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.556 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.8 OUTLIER -68.44 -28.15 66.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.56 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.63 -59.62 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.601 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 11.0 tt -60.84 -11.66 4.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.63 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.3 t60 -94.26 -60.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.588 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.716 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.93 -43.95 70.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.531 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 54.8 mt -61.62 -43.13 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.601 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.61 -51.7 12.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.361 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.63 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.9 -48.04 72.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.716 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.37 -71.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.531 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 2.2 t-20 78.21 1.37 2.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.464 ' CB ' ' O ' ' A' ' 2' ' ' ASN . 0.2 OUTLIER 84.85 -7.21 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.353 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.418 ' O ' HG21 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -63.39 -63.7 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -50.38 -27.51 6.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.6 mt -65.53 -52.8 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.561 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.63 -37.2 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.1 -14.5 25.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -68.44 -28.19 66.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.561 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.62 -59.66 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.603 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -60.77 -11.72 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.622 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.14 -60.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.578 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.723 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.86 -43.96 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.528 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 14.7 mm -61.56 -43.13 96.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.603 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.66 -51.66 12.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.622 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -65.91 -48.02 72.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.723 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.43 -71.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.528 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.426 ' HD2' ' CD ' ' A' ' 5' ' ' ARG . 10.1 tttm . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.456 ' OD1' ' CD2' ' A' ' 3' ' ' LEU . 8.5 t30 59.17 -90.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.473 ' CD1' HD12 ' A' ' 6' ' ' ILE . 3.1 mm? -123.75 -0.85 8.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.419 ' O ' HG21 ' A' ' 7' ' ' ILE . 12.9 mmt180 -64.31 -67.04 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.426 ' CD ' ' HD2' ' A' ' 1' ' ' LYS . 22.3 mtp180 -47.34 -28.31 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.563 ' O ' ' N ' ' A' ' 9' ' ' LYS . 2.9 mt -66.0 -52.94 42.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.565 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.75 -37.13 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -94.08 -14.02 26.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.563 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.9 OUTLIER -68.53 -28.23 66.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.565 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.55 -59.71 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.322 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.609 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 2.1 tt -60.81 -11.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.559 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.24 -60.23 1.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.57 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.724 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.87 -44.03 70.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.533 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 88.9 mt -61.53 -43.11 96.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.57 -51.8 12.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.78 -47.96 73.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.724 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.52 -71.38 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.566 1.166 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.444 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER 73.56 -65.96 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.444 ' CB ' ' O ' ' A' ' 2' ' ' ASN . 0.2 OUTLIER 84.78 -7.22 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.431 ' O ' HG22 ' A' ' 7' ' ' ILE . 14.3 mmt-85 -63.36 -63.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -50.29 -27.59 6.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.551 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.6 mt -65.52 -52.78 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.568 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.63 -37.2 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.11 -14.46 25.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.551 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.9 ttpt -68.55 -28.1 66.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.568 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.62 -59.66 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.609 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 8.3 tp -60.81 -11.72 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.619 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.18 -60.27 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.605 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.698 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.56 -43.92 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.533 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 18.0 mm -61.7 -43.89 97.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -74.84 -50.97 15.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.619 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -65.49 -49.02 70.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.698 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.63 -71.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 111.023 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.038 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -90.32 56.9 3.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.434 HD21 ' CD1' ' A' ' 6' ' ' ILE . 0.5 OUTLIER -66.28 -11.29 49.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 5' ' ' ARG . 10.4 ptt180 -60.42 -53.4 58.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.33 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.424 ' N ' ' CG ' ' A' ' 4' ' ' ARG . 35.2 mtt-85 -57.03 -28.78 62.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.567 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.4 mt -65.95 -52.38 49.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.555 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.58 -36.94 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -94.38 -14.89 24.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.9 OUTLIER -68.55 -28.01 66.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.555 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.64 -59.66 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.597 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -60.79 -11.71 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.6 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.21 -60.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.583 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.716 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.88 -43.94 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 72.7 mt -61.57 -43.13 96.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.597 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.61 -51.74 12.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.6 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.8 OUTLIER -65.87 -47.97 73.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.716 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.42 -71.35 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.977 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.9 pttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 -73.55 68.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.464 ' CD1' HD13 ' A' ' 6' ' ' ILE . 0.5 OUTLIER 73.79 2.88 4.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -64.97 -67.68 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -48.16 -27.86 2.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.575 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.3 mt -64.92 -53.2 44.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.545 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.07 -32.85 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.33 -19.72 19.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.3 OUTLIER -70.97 -27.96 64.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.545 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.95 -59.28 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.61 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 1.2 tt -61.18 -11.53 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.594 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.3 t60 -94.53 -60.17 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.614 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.698 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.9 -43.86 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.523 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 50.6 mt -61.74 -43.26 96.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.61 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.77 -51.66 12.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.68 -48.13 73.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.698 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.55 -71.28 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 2' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.405 ' ND2' ' HG3' ' A' ' 4' ' ' ARG . 1.1 t-20 -40.63 151.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.23 1.68 27.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.434 ' O ' HG21 ' A' ' 7' ' ' ILE . 4.3 mtt-85 -62.89 -66.23 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -49.45 -27.38 4.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.598 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.7 mt -65.47 -52.92 45.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.566 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.77 -30.1 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -94.38 -15.88 23.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.598 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -68.87 -27.86 66.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.566 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -61.13 -59.68 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.609 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -60.78 -11.86 4.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.521 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -93.89 -60.12 1.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.603 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.725 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.99 -43.89 71.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.521 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 86.3 mt -61.65 -43.0 96.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.72 -51.75 12.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.8 OUTLIER -65.82 -48.03 73.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.725 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.4 -71.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.521 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -85.99 -85.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.45 1.51 28.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.427 ' O ' HG22 ' A' ' 7' ' ' ILE . 1.1 mmm180 -62.96 -66.2 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -49.4 -27.42 4.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.587 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.7 mt -65.49 -52.86 46.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.578 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.8 -30.01 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.47 -15.92 23.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -68.83 -27.94 66.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.578 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -61.12 -59.74 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.606 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 2.1 tp -60.77 -11.89 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.588 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -93.83 -60.23 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.602 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.721 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.93 -43.88 70.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.519 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 65.5 mt -61.64 -43.0 96.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.606 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.77 -51.73 11.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.588 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.83 -47.99 73.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.721 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.44 -71.29 0.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.519 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 50.33 -175.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 1.4 mm? -92.33 1.44 57.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.419 ' O ' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -62.68 -65.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -50.15 -28.15 6.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.652 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.9 mt -63.87 -50.91 75.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.562 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.76 -29.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.26 -15.07 24.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.652 ' N ' ' O ' ' A' ' 6' ' ' ILE . 15.2 mtpt -68.0 -28.12 67.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.562 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.59 -59.72 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.585 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 5.1 tt -60.8 -11.77 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.596 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.13 -60.21 1.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.575 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.712 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.91 -43.93 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 56.9 mt -61.6 -43.11 96.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.585 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.59 -51.7 12.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.596 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.93 -47.98 72.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.712 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.46 -71.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.5 mttp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 2' ' ' ASN . 35.7 t30 49.79 47.44 23.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.467 ' CD1' HD12 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -78.97 0.36 27.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.418 ' O ' HG22 ' A' ' 7' ' ' ILE . 2.1 mmp_? -62.96 -65.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.401 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 83.9 mtt180 -49.92 -28.21 6.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.665 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.7 mt -63.93 -51.0 74.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.568 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.76 -29.21 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.19 -15.11 24.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.665 ' N ' ' O ' ' A' ' 6' ' ' ILE . 12.2 mtpt -67.95 -28.16 67.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.568 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.66 -59.65 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.604 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 9.3 tt -60.73 -11.89 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.605 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.03 -60.2 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.621 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.721 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.83 -43.95 69.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 20.9 mm -61.63 -43.1 96.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.604 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.66 -51.61 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.605 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.98 -47.94 72.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.721 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.43 -71.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 178.62 139.71 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.471 ' CD1' HD12 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -75.54 -2.97 31.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -61.21 -61.03 2.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -52.69 -28.46 21.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.545 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.6 mt -65.69 -52.07 54.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.577 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.97 -38.15 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.527 ' O ' ' CD ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -93.37 -13.64 27.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.545 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -69.15 -28.33 66.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.368 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.577 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.91 -60.03 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.602 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -59.91 -12.76 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.34 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.613 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -92.0 -58.9 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.635 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.718 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -55.16 -44.11 73.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 44.2 mt -61.55 -43.08 96.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.602 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.53 -51.73 12.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.613 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -65.95 -47.96 72.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.718 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.36 -71.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.402 ' C ' ' CG ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.402 ' CG ' ' C ' ' A' ' 1' ' ' LYS . 1.4 p-10 41.73 90.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.462 ' CD1' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -79.43 0.93 27.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.424 ' O ' HG21 ' A' ' 7' ' ' ILE . 1.6 mmp_? -62.65 -65.9 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 51.4 mtt180 -50.23 -28.1 7.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.655 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.9 mt -63.85 -50.75 76.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.566 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.56 -29.29 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.22 -14.96 25.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.655 ' N ' ' O ' ' A' ' 6' ' ' ILE . 24.8 mttt -67.94 -28.14 67.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.566 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.61 -59.76 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.604 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -60.71 -11.8 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.615 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.09 -60.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.596 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.693 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.93 -43.87 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.53 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 76.3 mt -61.66 -43.08 96.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.604 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.63 -51.75 12.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.615 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -65.89 -48.01 72.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.693 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.4 -71.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.53 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 62.04 143.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 6' ' ' ILE . 0.9 OUTLIER -77.36 -1.41 29.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.421 ' O ' HG23 ' A' ' 7' ' ' ILE . 13.6 mmt180 -63.04 -65.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -50.18 -28.26 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.669 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.7 mt -63.83 -50.71 76.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.557 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.55 -29.26 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.18 -14.98 25.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.669 ' N ' ' O ' ' A' ' 6' ' ' ILE . 21.3 mttm -67.88 -28.16 67.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.557 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.58 -59.73 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.597 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -60.75 -11.75 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.544 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.24 -60.27 1.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.584 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.706 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.6 -43.88 66.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.525 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 56.9 mt -61.78 -43.64 97.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.597 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.05 -51.2 14.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.55 -48.61 71.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.706 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.71 -71.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.525 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -66.7 166.73 12.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.0 1.45 27.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.431 ' O ' HG21 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -62.77 -66.2 0.58 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.278 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -49.86 -27.9 5.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.616 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.8 mt -64.26 -51.59 66.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.57 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.23 -29.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -94.27 -15.17 24.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.616 ' N ' ' O ' ' A' ' 6' ' ' ILE . 7.7 mtmt -68.13 -28.11 67.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.358 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.57 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.57 -59.6 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.63 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 5.9 tp -61.02 -11.29 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -94.72 -60.3 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.527 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.778 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -53.96 -43.15 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.578 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 21.2 mm -63.92 -43.12 97.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.63 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -72.44 -48.56 40.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -50.45 21.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.778 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.43 -75.94 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.578 ' HA3' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.539 ' O ' ' CD2' ' A' ' 3' ' ' LEU . 34.3 m-80 -46.43 -52.42 13.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.539 ' CD2' ' O ' ' A' ' 2' ' ' ASN . 0.2 OUTLIER 170.21 -19.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.452 ' O ' HG21 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -60.02 -57.41 12.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -54.62 -27.55 40.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.564 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.8 mt -65.81 -52.55 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.569 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.55 -37.32 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.09 -14.45 25.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.564 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.6 ttpp -68.51 -28.13 66.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.569 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.63 -59.72 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.608 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -60.73 -11.79 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.592 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.13 -60.19 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.56 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.721 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.91 -43.92 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.527 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 65.7 mt -61.63 -43.08 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.608 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.64 -51.7 12.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.9 -48.04 72.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.721 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.41 -71.28 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -47.49 172.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.457 ' N ' ' CD2' ' A' ' 3' ' ' LEU . 1.3 mm? -117.1 -7.52 11.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.439 ' CG ' ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -60.83 -54.18 48.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.439 ' N ' ' CG ' ' A' ' 4' ' ' ARG . 13.4 mtt-85 -57.1 -29.31 63.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.64 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.5 mt -64.63 -50.74 74.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.57 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.97 -28.84 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.405 ' HG2' HG21 ' A' ' 7' ' ' ILE . 0.8 OUTLIER -94.4 -15.37 24.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.64 ' N ' ' O ' ' A' ' 6' ' ' ILE . 8.1 mtpt -68.01 -28.1 67.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.57 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.61 -59.59 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.359 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.606 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 8.1 tp -60.78 -11.76 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.624 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.2 -60.34 1.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.626 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.699 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.53 -43.96 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.522 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 67.5 mt -61.68 -43.69 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.606 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -75.03 -51.2 14.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.624 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.57 -48.66 71.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.699 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.67 -71.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.948 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.456 ' HB2' ' CG ' ' A' ' 4' ' ' ARG . 5.9 m120 -49.25 174.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.456 ' CD1' HD11 ' A' ' 6' ' ' ILE . 2.5 mm? -82.18 -11.94 58.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.456 ' CG ' ' HB2' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -56.18 -55.37 34.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -56.23 -30.01 61.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.651 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.7 mt -65.03 -50.57 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.558 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.13 -28.71 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.39 -15.52 24.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.651 ' N ' ' O ' ' A' ' 6' ' ' ILE . 13.4 mtpt -67.92 -28.12 67.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.558 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.58 -59.59 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.609 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 1.1 tp -60.78 -11.81 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.243 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.579 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.17 -60.22 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.572 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.714 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.82 -43.98 69.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 69.9 mt -61.62 -43.13 96.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.68 -51.63 12.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.7 OUTLIER -65.91 -47.96 73.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.714 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.49 -71.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.1 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -41.02 134.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.445 ' CD1' HD13 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -75.67 -3.19 33.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.92 -60.38 3.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.407 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 5.9 mtt180 -53.04 -27.72 21.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.671 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.4 mt -67.49 -51.69 49.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.516 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.77 -39.54 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.544 ' O ' ' CD ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -81.56 -2.89 51.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.671 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -67.64 -28.0 67.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.516 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 1.1 pp -60.91 -60.27 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.614 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 3.6 tp -60.3 -11.97 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.608 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -93.83 -60.22 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.592 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.7 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.76 -43.82 68.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 5.7 mm -61.74 -43.22 96.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.614 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.78 -51.69 12.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.608 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -65.7 -48.04 73.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.7 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.57 -71.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.54 ' O ' ' CD2' ' A' ' 3' ' ' LEU . 24.6 t-20 -40.7 -52.81 2.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.54 ' CD2' ' O ' ' A' ' 2' ' ' ASN . 0.2 OUTLIER 169.97 -19.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.406 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.1 mmt180 -60.25 -55.83 28.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -55.2 -28.67 54.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.8 mt -65.17 -52.86 47.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.536 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -42.98 -32.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.343 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.49 -20.0 18.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' ILE . 5.5 pttt -70.92 -27.9 64.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.536 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.84 -59.3 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.596 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 8.0 tp -61.15 -11.58 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.628 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.52 -60.07 1.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.601 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.714 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.94 -43.83 70.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.523 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 62.4 mt -61.86 -43.21 97.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.75 -51.64 12.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.628 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.3 OUTLIER -65.76 -48.09 73.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.714 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.51 -71.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 111.047 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.2 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.54 ' O ' ' CD2' ' A' ' 3' ' ' LEU . 38.9 m-80 -41.27 -52.56 3.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.54 ' CD2' ' O ' ' A' ' 2' ' ' ASN . 0.2 OUTLIER 170.2 -20.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 5' ' ' ARG . 12.7 ptp180 -59.56 -52.35 65.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.421 ' N ' ' CG ' ' A' ' 4' ' ' ARG . 5.5 mtt-85 -57.19 -29.65 63.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.625 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.5 mt -64.95 -51.38 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.563 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.49 -29.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.36 -15.51 24.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.625 ' N ' ' O ' ' A' ' 6' ' ' ILE . 3.3 mttt -68.06 -28.12 67.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.563 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.57 -59.7 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.602 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -60.77 -11.75 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.12 -60.35 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.602 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.701 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.49 -44.06 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.533 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 8.7 mm -61.55 -43.73 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.602 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -74.83 -50.93 15.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -65.73 -48.83 70.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.701 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.6 -71.2 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.556 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.4 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.56 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.59 -37.19 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.449 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -94.09 -14.52 25.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.556 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.8 OUTLIER -68.44 -28.15 66.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.56 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.63 -59.62 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.6 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 11.0 tt -60.84 -11.66 4.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.63 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.1 t-80 -94.26 -60.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.588 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.716 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.93 -43.95 70.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.531 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 54.8 mt -61.62 -43.13 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.6 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.61 -51.7 12.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.361 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.63 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.9 -48.04 72.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.716 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.37 -71.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.531 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.6 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.561 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.63 -37.2 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.438 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -94.1 -14.5 25.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -68.44 -28.19 66.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.561 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.62 -59.66 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.603 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -60.77 -11.72 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.622 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.0 t-80 -94.14 -60.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.578 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.723 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.86 -43.96 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.528 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 14.7 mm -61.56 -43.13 96.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.603 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.66 -51.66 12.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.622 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -65.91 -48.02 72.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.723 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.43 -71.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.528 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.563 ' O ' ' N ' ' A' ' 9' ' ' LYS . 2.9 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.565 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.75 -37.13 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -94.08 -14.02 26.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.563 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.9 OUTLIER -68.53 -28.23 66.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.565 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.55 -59.71 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.322 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.608 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 2.1 tt -60.81 -11.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.619 ' O ' ' N ' ' A' ' 16' ' ' LYS . 8.9 t-80 -94.24 -60.23 1.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.57 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.724 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.87 -44.03 70.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.533 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 88.9 mt -61.53 -43.11 96.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.608 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.57 -51.8 12.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.619 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.78 -47.96 73.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.724 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.52 -71.38 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.566 1.166 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.551 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.6 mt . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.568 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.63 -37.2 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.442 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -94.11 -14.46 25.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 110.285 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.551 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.9 ttpt -68.55 -28.1 66.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.568 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.62 -59.66 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.609 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 8.3 tp -60.81 -11.72 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.619 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.1 t-80 -94.18 -60.27 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.605 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.698 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.56 -43.92 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.533 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 18.0 mm -61.7 -43.89 97.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -74.84 -50.97 15.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.619 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -65.49 -49.02 70.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.698 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.63 -71.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 111.023 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.038 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.567 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.4 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.555 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.58 -36.94 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -94.38 -14.89 24.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.9 OUTLIER -68.55 -28.01 66.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.555 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.64 -59.66 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.741 ' O ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -60.79 -11.71 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.6 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.0 t-80 -94.21 -60.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.583 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.716 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.88 -43.94 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 72.7 mt -61.57 -43.13 96.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.61 -51.74 12.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.6 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.8 OUTLIER -65.87 -47.97 73.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.716 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.42 -71.35 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.977 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.575 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.3 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.545 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.07 -32.85 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.43 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -96.33 -19.72 19.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.3 OUTLIER -70.97 -27.96 64.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.545 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.95 -59.28 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.611 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 1.2 tt -61.18 -11.53 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.594 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.2 t-80 -94.53 -60.17 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.614 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.698 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.9 -43.86 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.523 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 50.6 mt -61.74 -43.26 96.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.611 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.77 -51.66 12.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.68 -48.13 73.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.698 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.55 -71.28 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.607 HG23 ' HG2' ' A' ' 9' ' ' LYS . 4.7 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.566 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.77 -30.1 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.41 ' HG2' HG22 ' A' ' 7' ' ' ILE . 2.5 mtp180 -94.38 -15.88 23.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.607 ' HG2' HG23 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -68.87 -27.86 66.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.566 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -61.13 -59.68 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.61 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -60.78 -11.86 4.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.521 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.0 t-80 -93.89 -60.12 1.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.603 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.725 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.99 -43.89 71.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.521 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 86.3 mt -61.65 -43.0 96.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.61 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.72 -51.75 12.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.8 OUTLIER -65.82 -48.03 73.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.725 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.4 -71.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.521 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.595 HG23 ' HG2' ' A' ' 9' ' ' LYS . 4.7 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.578 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.8 -30.01 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.426 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -94.47 -15.92 23.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.595 ' HG2' HG23 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -68.83 -27.94 66.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.578 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -61.12 -59.74 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.606 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 2.1 tp -60.77 -11.89 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.588 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.0 t-80 -93.83 -60.23 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.602 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.721 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.93 -43.88 70.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.519 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 65.5 mt -61.64 -43.0 96.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.606 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.77 -51.73 11.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.588 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.83 -47.99 73.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.721 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.44 -71.29 0.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.519 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.652 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.9 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.562 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.76 -29.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.405 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -94.26 -15.07 24.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.652 ' N ' ' O ' ' A' ' 6' ' ' ILE . 15.2 mtpt -68.0 -28.12 67.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.562 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.59 -59.72 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.585 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 5.1 tt -60.8 -11.77 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.596 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.0 t-80 -94.13 -60.21 1.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.575 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.712 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.91 -43.93 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 56.9 mt -61.6 -43.11 96.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.585 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.59 -51.7 12.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.596 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.93 -47.98 72.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.712 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.46 -71.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.665 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.7 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.568 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.76 -29.21 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.411 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -94.19 -15.11 24.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.665 ' N ' ' O ' ' A' ' 6' ' ' ILE . 12.2 mtpt -67.95 -28.16 67.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.568 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.66 -59.65 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.604 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 9.3 tt -60.73 -11.89 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.605 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.0 t-80 -94.03 -60.2 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.621 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.721 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.83 -43.95 69.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 20.9 mm -61.63 -43.1 96.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.604 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.66 -51.61 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.605 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.98 -47.94 72.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.721 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.43 -71.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.545 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.6 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.577 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.97 -38.15 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.527 ' O ' ' CD ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -93.37 -13.64 27.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.545 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -69.15 -28.33 66.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.368 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.577 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.91 -60.03 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.603 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -59.91 -12.76 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.34 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.613 ' O ' ' N ' ' A' ' 16' ' ' LYS . 8.8 t-80 -92.0 -58.9 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.635 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.718 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -55.16 -44.11 73.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 44.2 mt -61.55 -43.08 96.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.603 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.53 -51.73 12.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.613 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -65.95 -47.96 72.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.718 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.36 -71.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.655 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.9 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.566 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.56 -29.29 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.405 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -94.22 -14.96 25.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.655 ' N ' ' O ' ' A' ' 6' ' ' ILE . 24.8 mttt -67.94 -28.14 67.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.566 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.61 -59.76 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.605 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -60.71 -11.8 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.615 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.0 t-80 -94.09 -60.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.596 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.693 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.93 -43.87 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.53 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 76.3 mt -61.66 -43.08 96.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.605 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.63 -51.75 12.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.615 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -65.89 -48.01 72.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.693 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.4 -71.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.53 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.669 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.7 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.557 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.55 -29.26 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.406 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -94.18 -14.98 25.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.669 ' N ' ' O ' ' A' ' 6' ' ' ILE . 21.3 mttm -67.88 -28.16 67.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.557 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.58 -59.73 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.597 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -60.75 -11.75 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.544 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.0 t-80 -94.24 -60.27 1.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.584 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.706 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.6 -43.88 66.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.525 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 56.9 mt -61.78 -43.64 97.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.597 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.05 -51.2 14.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.55 -48.61 71.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.706 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.71 -71.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.525 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.622 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.8 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.57 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.23 -29.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.411 ' HG2' HG22 ' A' ' 7' ' ' ILE . 1.7 mtt180 -94.27 -15.17 24.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.622 ' N ' ' O ' ' A' ' 6' ' ' ILE . 7.7 mtmt -68.13 -28.11 67.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.358 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.57 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.57 -59.6 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.629 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 5.9 tp -61.02 -11.29 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -94.72 -60.3 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.527 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.778 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -53.96 -43.15 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.578 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 21.2 mm -63.92 -43.12 97.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.629 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -72.44 -48.56 40.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -50.45 21.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.778 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.43 -75.94 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.578 ' HA3' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.564 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.8 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.569 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.55 -37.32 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.414 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -94.09 -14.45 25.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.564 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.6 ttpp -68.51 -28.13 66.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.569 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.63 -59.72 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.607 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -60.73 -11.79 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.592 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.0 t-80 -94.13 -60.19 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.56 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.721 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.91 -43.92 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.527 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 65.7 mt -61.63 -43.08 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.607 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.64 -51.7 12.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.9 -48.04 72.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.721 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.41 -71.28 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.64 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.5 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.57 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.97 -28.84 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.4 -15.37 24.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.64 ' N ' ' O ' ' A' ' 6' ' ' ILE . 8.1 mtpt -68.01 -28.1 67.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.57 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.61 -59.59 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.359 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.605 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 8.1 tp -60.78 -11.76 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.624 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.1 t-80 -94.2 -60.34 1.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.626 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.699 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.53 -43.96 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.522 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 67.5 mt -61.68 -43.69 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.605 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -75.03 -51.2 14.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.624 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.57 -48.66 71.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.699 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.67 -71.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.948 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.651 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.7 mt . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.558 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.13 -28.71 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.39 -15.52 24.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.651 ' N ' ' O ' ' A' ' 6' ' ' ILE . 13.4 mtpt -67.92 -28.12 67.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.558 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.58 -59.59 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.609 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 1.1 tp -60.78 -11.81 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.243 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.579 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.0 t-80 -94.17 -60.22 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.572 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.714 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.82 -43.98 69.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 69.9 mt -61.62 -43.13 96.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.68 -51.63 12.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.7 OUTLIER -65.91 -47.96 73.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.714 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.49 -71.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.671 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.4 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.516 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.77 -39.54 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.544 ' O ' ' CD ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -81.56 -2.89 51.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.671 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -67.64 -28.0 67.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.516 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 1.1 pp -60.91 -60.27 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.615 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 3.6 tp -60.3 -11.97 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.66 ' O ' ' N ' ' A' ' 16' ' ' LYS . 8.9 t-80 -93.83 -60.22 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.592 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.7 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.76 -43.82 68.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 5.7 mm -61.74 -43.22 96.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.615 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.78 -51.69 12.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.66 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -65.7 -48.04 73.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.7 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.57 -71.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.61 HG23 ' HD3' ' A' ' 9' ' ' LYS . 4.8 mt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.536 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -42.98 -32.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.343 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.49 -20.0 18.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.61 ' HD3' HG23 ' A' ' 6' ' ' ILE . 5.5 pttt -70.92 -27.9 64.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.536 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.84 -59.3 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.596 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 8.0 tp -61.15 -11.58 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.628 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.2 t-80 -94.52 -60.07 1.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.601 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.714 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.94 -43.83 70.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.523 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 62.4 mt -61.86 -43.21 97.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.75 -51.64 12.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.628 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.3 OUTLIER -65.76 -48.09 73.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.714 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.51 -71.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 111.047 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.625 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.5 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.563 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.49 -29.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.36 -15.51 24.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.625 ' N ' ' O ' ' A' ' 6' ' ' ILE . 3.3 mttt -68.06 -28.12 67.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.563 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.57 -59.7 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.779 ' O ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -60.77 -11.75 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 16' ' ' LYS . 8.9 t-80 -94.12 -60.35 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.602 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.701 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.49 -44.06 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.533 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 8.7 mm -61.55 -43.73 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.602 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -74.83 -50.93 15.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -65.73 -48.83 70.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.701 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.6 -71.2 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.6 pttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -56.95 -85.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.562 HD13 HD12 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -117.82 -0.85 11.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -62.92 -65.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -49.61 -27.55 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.562 HD12 HD13 ' A' ' 3' ' ' LEU . 4.4 mt -65.53 -52.83 46.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.56 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.59 -37.19 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.449 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -94.09 -14.52 25.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.556 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.8 OUTLIER -68.44 -28.15 66.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.56 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.63 -59.62 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.6 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 11.0 tt -60.84 -11.66 4.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.63 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.1 t-80 -94.26 -60.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.588 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.716 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.93 -43.95 70.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.531 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 54.8 mt -61.62 -43.13 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.6 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.61 -51.7 12.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.361 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.63 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.9 -48.04 72.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.716 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.37 -71.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.531 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 2.2 t-20 78.21 1.37 2.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.882 HD22 HD12 ' A' ' 6' ' ' ILE . 0.2 OUTLIER 84.85 -7.21 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.353 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.4 ' O ' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -63.39 -63.7 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -50.38 -27.51 6.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.882 HD12 HD22 ' A' ' 3' ' ' LEU . 4.6 mt -65.53 -52.8 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.561 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.63 -37.2 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.438 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -94.1 -14.5 25.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -68.44 -28.19 66.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.561 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.62 -59.66 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.603 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -60.77 -11.72 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.622 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.0 t-80 -94.14 -60.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.578 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.723 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.86 -43.96 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.528 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 14.7 mm -61.56 -43.13 96.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.603 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.66 -51.66 12.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.622 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -65.91 -48.02 72.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.723 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.43 -71.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.528 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.427 ' HD2' ' CD ' ' A' ' 5' ' ' ARG . 10.1 tttm . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.456 ' OD1' ' CD2' ' A' ' 3' ' ' LEU . 8.5 t30 59.17 -90.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.875 ' CD1' HD12 ' A' ' 6' ' ' ILE . 3.1 mm? -123.75 -0.85 8.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -64.31 -67.04 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.427 ' CD ' ' HD2' ' A' ' 1' ' ' LYS . 22.3 mtp180 -47.34 -28.31 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.875 HD12 ' CD1' ' A' ' 3' ' ' LEU . 2.9 mt -66.0 -52.94 42.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.565 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.75 -37.13 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -94.08 -14.02 26.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.563 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.9 OUTLIER -68.53 -28.23 66.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.565 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.55 -59.71 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.322 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.608 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 2.1 tt -60.81 -11.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.619 ' O ' ' N ' ' A' ' 16' ' ' LYS . 8.9 t-80 -94.24 -60.23 1.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.57 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.724 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.87 -44.03 70.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.533 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 88.9 mt -61.53 -43.11 96.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.608 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.57 -51.8 12.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.619 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.78 -47.96 73.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.724 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.52 -71.38 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.566 1.166 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.444 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER 73.56 -65.96 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.915 HD22 HD12 ' A' ' 6' ' ' ILE . 0.2 OUTLIER 84.78 -7.22 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.402 ' O ' HG22 ' A' ' 7' ' ' ILE . 14.3 mmt-85 -63.36 -63.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -50.29 -27.59 6.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.915 HD12 HD22 ' A' ' 3' ' ' LEU . 4.6 mt -65.52 -52.78 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.568 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.63 -37.2 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.442 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -94.11 -14.46 25.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 110.285 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.551 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.9 ttpt -68.55 -28.1 66.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.568 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.62 -59.66 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.609 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 8.3 tp -60.81 -11.72 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.619 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.1 t-80 -94.18 -60.27 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.605 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.698 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.56 -43.92 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.533 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 18.0 mm -61.7 -43.89 97.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -74.84 -50.97 15.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.619 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -65.49 -49.02 70.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.698 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.63 -71.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 111.023 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.038 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -90.32 56.9 3.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.547 HD13 HD12 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -66.28 -11.29 49.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.533 ' O ' HG22 ' A' ' 7' ' ' ILE . 10.4 ptt180 -60.42 -53.4 58.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.33 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.424 ' N ' ' CG ' ' A' ' 4' ' ' ARG . 35.2 mtt-85 -57.03 -28.78 62.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.567 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.4 mt -65.95 -52.38 49.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.555 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.58 -36.94 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -94.38 -14.89 24.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.9 OUTLIER -68.55 -28.01 66.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.555 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.64 -59.66 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.741 HD13 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -60.79 -11.71 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.6 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.0 t-80 -94.21 -60.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.583 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.716 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.88 -43.94 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 72.7 mt -61.57 -43.13 96.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.61 -51.74 12.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.6 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.8 OUTLIER -65.87 -47.97 73.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.716 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.42 -71.35 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.977 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.436 ' H2 ' ' HG3' ' A' ' 4' ' ' ARG . 1.9 pttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 -73.55 68.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.558 HD13 HD12 ' A' ' 6' ' ' ILE . 0.5 OUTLIER 73.79 2.88 4.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.436 ' HG3' ' H2 ' ' A' ' 1' ' ' LYS . 3.8 mmm180 -64.97 -67.68 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -48.16 -27.86 2.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.575 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.3 mt -64.92 -53.2 44.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.545 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.07 -32.85 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.43 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -96.33 -19.72 19.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.3 OUTLIER -70.97 -27.96 64.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.545 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.95 -59.28 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.611 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 1.2 tt -61.18 -11.53 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.594 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.2 t-80 -94.53 -60.17 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.614 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.698 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.9 -43.86 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.523 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 50.6 mt -61.74 -43.26 96.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.611 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.77 -51.66 12.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.68 -48.13 73.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.698 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.55 -71.28 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 2' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.404 ' ND2' ' HG3' ' A' ' 4' ' ' ARG . 1.1 t-20 -40.63 151.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.888 HD13 HD12 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -80.23 1.68 27.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.409 ' O ' HG22 ' A' ' 7' ' ' ILE . 4.3 mtt-85 -62.89 -66.23 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -49.45 -27.38 4.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.888 HD12 HD13 ' A' ' 3' ' ' LEU . 4.7 mt -65.47 -52.92 45.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.566 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.77 -30.1 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.41 ' HG2' HG22 ' A' ' 7' ' ' ILE . 2.5 mtp180 -94.38 -15.88 23.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.607 ' HG2' HG23 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -68.87 -27.86 66.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.566 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -61.13 -59.68 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.61 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -60.78 -11.86 4.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.521 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.0 t-80 -93.89 -60.12 1.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.603 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.725 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.99 -43.89 71.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.521 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 86.3 mt -61.65 -43.0 96.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.61 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.72 -51.75 12.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.8 OUTLIER -65.82 -48.03 73.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.725 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.4 -71.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.521 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -85.99 -85.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.705 HD13 HD12 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -80.45 1.51 28.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.412 ' O ' HG22 ' A' ' 7' ' ' ILE . 1.1 mmm180 -62.96 -66.2 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -49.4 -27.42 4.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.705 HD12 HD13 ' A' ' 3' ' ' LEU . 4.7 mt -65.49 -52.86 46.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.578 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.8 -30.01 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.426 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -94.47 -15.92 23.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.595 ' HG2' HG23 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -68.83 -27.94 66.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.578 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -61.12 -59.74 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.606 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 2.1 tp -60.77 -11.89 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.588 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.0 t-80 -93.83 -60.23 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.602 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.721 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.93 -43.88 70.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.519 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 65.5 mt -61.64 -43.0 96.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.606 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.77 -51.73 11.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.588 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.83 -47.99 73.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.721 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.44 -71.29 0.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.519 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 50.33 -175.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.653 ' N ' HD22 ' A' ' 3' ' ' LEU . 1.4 mm? -92.33 1.44 57.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -65.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -50.15 -28.15 6.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.652 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.9 mt -63.87 -50.91 75.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.562 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.76 -29.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.405 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -94.26 -15.07 24.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.652 ' N ' ' O ' ' A' ' 6' ' ' ILE . 15.2 mtpt -68.0 -28.12 67.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.562 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.59 -59.72 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.585 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 5.1 tt -60.8 -11.77 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.596 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.0 t-80 -94.13 -60.21 1.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.575 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.712 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.91 -43.93 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 56.9 mt -61.6 -43.11 96.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.585 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.59 -51.7 12.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.596 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.93 -47.98 72.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.712 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.46 -71.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.5 mttp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 49.79 47.44 23.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.688 HD13 HD12 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -78.97 0.36 27.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -62.96 -65.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.401 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 83.9 mtt180 -49.92 -28.21 6.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.688 HD12 HD13 ' A' ' 3' ' ' LEU . 4.7 mt -63.93 -51.0 74.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.568 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.76 -29.21 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.411 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -94.19 -15.11 24.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.665 ' N ' ' O ' ' A' ' 6' ' ' ILE . 12.2 mtpt -67.95 -28.16 67.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.568 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.66 -59.65 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.604 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 9.3 tt -60.73 -11.89 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.605 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.0 t-80 -94.03 -60.2 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.621 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.721 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.83 -43.95 69.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 20.9 mm -61.63 -43.1 96.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.604 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.66 -51.61 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.605 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.98 -47.94 72.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.721 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.43 -71.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.406 ' H3 ' ' HG2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 178.62 139.71 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.699 HD13 HD12 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -75.54 -2.97 31.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.486 ' O ' HG22 ' A' ' 7' ' ' ILE . 2.4 mmt180 -61.21 -61.03 2.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 110.334 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -52.69 -28.46 21.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.699 HD12 HD13 ' A' ' 3' ' ' LEU . 4.6 mt -65.69 -52.07 54.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.577 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.97 -38.15 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.527 ' O ' ' CD ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -93.37 -13.64 27.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.545 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -69.15 -28.33 66.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.368 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.577 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.91 -60.03 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.603 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -59.91 -12.76 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.34 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.613 ' O ' ' N ' ' A' ' 16' ' ' LYS . 8.8 t-80 -92.0 -58.9 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.635 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.718 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -55.16 -44.11 73.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 44.2 mt -61.55 -43.08 96.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.603 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.53 -51.73 12.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.613 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -65.95 -47.96 72.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.718 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.36 -71.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.402 ' C ' ' CG ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.402 ' CG ' ' C ' ' A' ' 1' ' ' LYS . 1.4 p-10 41.73 90.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.884 HD13 HD12 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -79.43 0.93 27.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.403 ' O ' HG22 ' A' ' 7' ' ' ILE . 1.6 mmp_? -62.65 -65.9 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 51.4 mtt180 -50.23 -28.1 7.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.884 HD12 HD13 ' A' ' 3' ' ' LEU . 4.9 mt -63.85 -50.75 76.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.566 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.56 -29.29 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.405 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -94.22 -14.96 25.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.655 ' N ' ' O ' ' A' ' 6' ' ' ILE . 24.8 mttt -67.94 -28.14 67.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.566 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.61 -59.76 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.605 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -60.71 -11.8 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.615 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.0 t-80 -94.09 -60.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.596 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.693 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.93 -43.87 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.53 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 76.3 mt -61.66 -43.08 96.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.605 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.63 -51.75 12.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.615 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -65.89 -48.01 72.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.693 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.4 -71.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.53 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 62.04 143.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.842 HD13 HD12 ' A' ' 6' ' ' ILE . 0.9 OUTLIER -77.36 -1.41 29.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.402 ' O ' HG22 ' A' ' 7' ' ' ILE . 13.6 mmt180 -63.04 -65.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -50.18 -28.26 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.842 HD12 HD13 ' A' ' 3' ' ' LEU . 4.7 mt -63.83 -50.71 76.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.557 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.55 -29.26 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.406 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -94.18 -14.98 25.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.669 ' N ' ' O ' ' A' ' 6' ' ' ILE . 21.3 mttm -67.88 -28.16 67.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.557 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.58 -59.73 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.597 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -60.75 -11.75 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.544 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.0 t-80 -94.24 -60.27 1.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.584 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.706 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.6 -43.88 66.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.525 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 56.9 mt -61.78 -43.64 97.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.597 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.05 -51.2 14.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.55 -48.61 71.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.706 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.71 -71.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.525 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -66.7 166.73 12.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.903 HD13 HD12 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -80.0 1.45 27.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.407 ' O ' HG22 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -62.77 -66.2 0.58 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.278 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -49.86 -27.9 5.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.903 HD12 HD13 ' A' ' 3' ' ' LEU . 4.8 mt -64.26 -51.59 66.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.57 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.23 -29.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.411 ' HG2' HG22 ' A' ' 7' ' ' ILE . 1.7 mtt180 -94.27 -15.17 24.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.622 ' N ' ' O ' ' A' ' 6' ' ' ILE . 7.7 mtmt -68.13 -28.11 67.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.358 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.57 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.57 -59.6 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.629 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 5.9 tp -61.02 -11.29 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -94.72 -60.3 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.527 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.778 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -53.96 -43.15 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.578 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 21.2 mm -63.92 -43.12 97.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.629 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -72.44 -48.56 40.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -50.45 21.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.778 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.43 -75.94 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.578 ' HA3' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.642 ' O ' HD23 ' A' ' 3' ' ' LEU . 34.3 m-80 -46.43 -52.42 13.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 2' ' ' ASN . 0.2 OUTLIER 170.21 -19.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.423 ' O ' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -60.02 -57.41 12.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -54.62 -27.55 40.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.564 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.8 mt -65.81 -52.55 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.569 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.55 -37.32 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.414 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -94.09 -14.45 25.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.564 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.6 ttpp -68.51 -28.13 66.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.569 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.63 -59.72 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.607 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -60.73 -11.79 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.592 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.0 t-80 -94.13 -60.19 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.56 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.721 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.91 -43.92 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.527 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 65.7 mt -61.63 -43.08 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.607 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.64 -51.7 12.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.9 -48.04 72.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.721 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.41 -71.28 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.621 ' C ' HD22 ' A' ' 3' ' ' LEU . 4.2 p30 -47.49 172.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.669 ' N ' HD22 ' A' ' 3' ' ' LEU . 1.3 mm? -117.1 -7.52 11.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.542 ' O ' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -60.83 -54.18 48.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.439 ' N ' ' CG ' ' A' ' 4' ' ' ARG . 13.4 mtt-85 -57.1 -29.31 63.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.64 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.5 mt -64.63 -50.74 74.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.57 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.97 -28.84 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.4 -15.37 24.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.64 ' N ' ' O ' ' A' ' 6' ' ' ILE . 8.1 mtpt -68.01 -28.1 67.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.57 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.61 -59.59 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.359 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.605 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 8.1 tp -60.78 -11.76 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.624 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.1 t-80 -94.2 -60.34 1.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.626 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.699 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.53 -43.96 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.522 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 67.5 mt -61.68 -43.69 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.605 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -75.03 -51.2 14.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.624 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.57 -48.66 71.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.699 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.67 -71.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.948 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.456 ' HB2' ' CG ' ' A' ' 4' ' ' ARG . 5.9 m120 -49.25 174.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 1.051 HD13 HD12 ' A' ' 6' ' ' ILE . 2.5 mm? -82.18 -11.94 58.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.595 ' O ' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -56.18 -55.37 34.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -56.23 -30.01 61.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 1.051 HD12 HD13 ' A' ' 3' ' ' LEU . 4.7 mt -65.03 -50.57 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.595 HG22 ' O ' ' A' ' 4' ' ' ARG . 0.2 OUTLIER -45.13 -28.71 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.39 -15.52 24.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.651 ' N ' ' O ' ' A' ' 6' ' ' ILE . 13.4 mtpt -67.92 -28.12 67.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.558 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.58 -59.59 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.609 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 1.1 tp -60.78 -11.81 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.243 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.579 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.0 t-80 -94.17 -60.22 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.572 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.714 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.82 -43.98 69.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 69.9 mt -61.62 -43.13 96.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.68 -51.63 12.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.7 OUTLIER -65.91 -47.96 73.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.714 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.49 -71.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.1 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -41.02 134.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.776 HD13 HD12 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -75.67 -3.19 33.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.519 ' O ' HG22 ' A' ' 7' ' ' ILE . 0.9 OUTLIER -60.92 -60.38 3.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.407 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 5.9 mtt180 -53.04 -27.72 21.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.776 HD12 HD13 ' A' ' 3' ' ' LEU . 4.4 mt -67.49 -51.69 49.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.519 HG22 ' O ' ' A' ' 4' ' ' ARG . 0.2 OUTLIER -45.77 -39.54 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.544 ' O ' ' CD ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -81.56 -2.89 51.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.671 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -67.64 -28.0 67.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.516 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 1.1 pp -60.91 -60.27 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.615 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 3.6 tp -60.3 -11.97 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.66 ' O ' ' N ' ' A' ' 16' ' ' LYS . 8.9 t-80 -93.83 -60.22 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.592 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.7 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.76 -43.82 68.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 5.7 mm -61.74 -43.22 96.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.615 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.78 -51.69 12.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.66 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -65.7 -48.04 73.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.7 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.57 -71.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.647 ' O ' HD23 ' A' ' 3' ' ' LEU . 24.6 t-20 -40.7 -52.81 2.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 2' ' ' ASN . 0.2 OUTLIER 169.97 -19.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.514 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.1 mmt180 -60.25 -55.83 28.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -55.2 -28.67 54.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.61 HG23 ' HD3' ' A' ' 9' ' ' LYS . 4.8 mt -65.17 -52.86 47.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.536 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -42.98 -32.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.343 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.49 -20.0 18.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.61 ' HD3' HG23 ' A' ' 6' ' ' ILE . 5.5 pttt -70.92 -27.9 64.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.536 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.84 -59.3 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.596 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 8.0 tp -61.15 -11.58 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.628 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.2 t-80 -94.52 -60.07 1.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.601 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.714 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.94 -43.83 70.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.523 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 62.4 mt -61.86 -43.21 97.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.75 -51.64 12.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.628 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.3 OUTLIER -65.76 -48.09 73.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.714 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.51 -71.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 111.047 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.2 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.627 ' O ' HD23 ' A' ' 3' ' ' LEU . 38.9 m-80 -41.27 -52.56 3.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.627 HD23 ' O ' ' A' ' 2' ' ' ASN . 0.2 OUTLIER 170.2 -20.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.572 ' O ' HG22 ' A' ' 7' ' ' ILE . 12.7 ptp180 -59.56 -52.35 65.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.421 ' N ' ' CG ' ' A' ' 4' ' ' ARG . 5.5 mtt-85 -57.19 -29.65 63.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.625 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.5 mt -64.95 -51.38 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.572 HG22 ' O ' ' A' ' 4' ' ' ARG . 0.2 OUTLIER -45.49 -29.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.36 -15.51 24.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.625 ' N ' ' O ' ' A' ' 6' ' ' ILE . 3.3 mttt -68.06 -28.12 67.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.563 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.57 -59.7 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.779 HD13 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -60.77 -11.75 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 16' ' ' LYS . 8.9 t-80 -94.12 -60.35 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.602 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.701 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.49 -44.06 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.533 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 8.7 mm -61.55 -43.73 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.602 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -74.83 -50.93 15.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -65.73 -48.83 70.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.701 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.6 -71.2 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.556 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.4 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.56 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.59 -37.19 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.449 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -94.09 -14.52 25.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.556 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.8 OUTLIER -68.44 -28.15 66.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.56 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.63 -59.62 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.6 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 11.0 tt -60.84 -11.66 4.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.63 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.3 t60 -94.26 -60.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.588 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.716 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.93 -43.95 70.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.531 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 54.8 mt -61.62 -43.13 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.6 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.61 -51.7 12.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.361 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.63 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.9 -48.04 72.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.716 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.37 -71.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.531 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.6 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.561 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.63 -37.2 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.438 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -94.1 -14.5 25.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -68.44 -28.19 66.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.561 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.62 -59.66 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.603 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -60.77 -11.72 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.622 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.14 -60.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.578 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.723 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.86 -43.96 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.528 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 14.7 mm -61.56 -43.13 96.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.603 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.66 -51.66 12.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.622 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -65.91 -48.02 72.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.723 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.43 -71.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.528 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.563 ' O ' ' N ' ' A' ' 9' ' ' LYS . 2.9 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.565 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.75 -37.13 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -94.08 -14.02 26.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.563 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.9 OUTLIER -68.53 -28.23 66.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.565 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.55 -59.71 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.322 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.608 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 2.1 tt -60.81 -11.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.619 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.24 -60.23 1.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.57 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.724 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.87 -44.03 70.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.533 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 88.9 mt -61.53 -43.11 96.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.608 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.57 -51.8 12.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.619 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.78 -47.96 73.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.724 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.52 -71.38 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.566 1.166 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.551 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.6 mt . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.568 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.63 -37.2 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.442 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -94.11 -14.46 25.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 110.285 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.551 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.9 ttpt -68.55 -28.1 66.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.568 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.62 -59.66 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.609 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 8.3 tp -60.81 -11.72 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.619 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.18 -60.27 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.605 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.698 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.56 -43.92 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.533 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 18.0 mm -61.7 -43.89 97.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -74.84 -50.97 15.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.619 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -65.49 -49.02 70.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.698 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.63 -71.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 111.023 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.038 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.567 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.4 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.555 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.58 -36.94 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -94.38 -14.89 24.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.9 OUTLIER -68.55 -28.01 66.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.555 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.64 -59.66 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.741 ' O ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -60.79 -11.71 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.6 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.21 -60.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.583 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.716 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.88 -43.94 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 72.7 mt -61.57 -43.13 96.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.61 -51.74 12.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.6 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.8 OUTLIER -65.87 -47.97 73.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.716 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.42 -71.35 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.977 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.575 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.3 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.545 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.07 -32.85 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.43 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -96.33 -19.72 19.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.3 OUTLIER -70.97 -27.96 64.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.545 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.95 -59.28 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.611 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 1.2 tt -61.18 -11.53 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.594 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.3 t60 -94.53 -60.17 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.614 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.698 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.9 -43.86 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.523 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 50.6 mt -61.74 -43.26 96.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.611 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.77 -51.66 12.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.68 -48.13 73.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.698 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.55 -71.28 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.607 HG23 ' HG2' ' A' ' 9' ' ' LYS . 4.7 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.566 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.77 -30.1 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.41 ' HG2' HG22 ' A' ' 7' ' ' ILE . 2.5 mtp180 -94.38 -15.88 23.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.607 ' HG2' HG23 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -68.87 -27.86 66.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.566 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -61.13 -59.68 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.61 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -60.78 -11.86 4.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.521 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -93.89 -60.12 1.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.603 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.725 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.99 -43.89 71.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.521 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 86.3 mt -61.65 -43.0 96.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.61 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.72 -51.75 12.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.8 OUTLIER -65.82 -48.03 73.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.725 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.4 -71.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.521 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.595 HG23 ' HG2' ' A' ' 9' ' ' LYS . 4.7 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.578 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.8 -30.01 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.426 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -94.47 -15.92 23.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.595 ' HG2' HG23 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -68.83 -27.94 66.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.578 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -61.12 -59.74 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.606 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 2.1 tp -60.77 -11.89 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.588 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -93.83 -60.23 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.602 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.721 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.93 -43.88 70.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.519 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 65.5 mt -61.64 -43.0 96.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.606 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.77 -51.73 11.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.588 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.83 -47.99 73.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.721 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.44 -71.29 0.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.519 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.652 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.9 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.562 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.76 -29.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.405 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -94.26 -15.07 24.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.652 ' N ' ' O ' ' A' ' 6' ' ' ILE . 15.2 mtpt -68.0 -28.12 67.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.562 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.59 -59.72 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.585 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 5.1 tt -60.8 -11.77 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.596 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.13 -60.21 1.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.575 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.712 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.91 -43.93 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 56.9 mt -61.6 -43.11 96.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.585 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.59 -51.7 12.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.596 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.93 -47.98 72.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.712 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.46 -71.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.665 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.7 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.568 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.76 -29.21 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.411 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -94.19 -15.11 24.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.665 ' N ' ' O ' ' A' ' 6' ' ' ILE . 12.2 mtpt -67.95 -28.16 67.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.568 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.66 -59.65 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.604 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 9.3 tt -60.73 -11.89 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.605 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.03 -60.2 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.621 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.721 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.83 -43.95 69.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 20.9 mm -61.63 -43.1 96.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.604 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.66 -51.61 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.605 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.98 -47.94 72.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.721 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.43 -71.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.545 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.6 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.577 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.97 -38.15 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.527 ' O ' ' CD ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -93.37 -13.64 27.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.545 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -69.15 -28.33 66.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.368 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.577 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.91 -60.03 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.603 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -59.91 -12.76 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.34 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.613 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -92.0 -58.9 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.635 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.718 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -55.16 -44.11 73.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 44.2 mt -61.55 -43.08 96.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.603 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.53 -51.73 12.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.613 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -65.95 -47.96 72.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.718 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.36 -71.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.655 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.9 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.566 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.56 -29.29 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.405 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -94.22 -14.96 25.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.655 ' N ' ' O ' ' A' ' 6' ' ' ILE . 24.8 mttt -67.94 -28.14 67.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.566 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.61 -59.76 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.605 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -60.71 -11.8 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.615 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.09 -60.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.596 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.693 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.93 -43.87 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.53 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 76.3 mt -61.66 -43.08 96.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.605 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.63 -51.75 12.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.615 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -65.89 -48.01 72.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.693 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.4 -71.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.53 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.669 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.7 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.557 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.55 -29.26 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.406 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -94.18 -14.98 25.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.669 ' N ' ' O ' ' A' ' 6' ' ' ILE . 21.3 mttm -67.88 -28.16 67.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.557 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.58 -59.73 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.597 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -60.75 -11.75 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.544 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.24 -60.27 1.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.584 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.706 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.6 -43.88 66.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.525 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 56.9 mt -61.78 -43.64 97.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.597 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.05 -51.2 14.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.55 -48.61 71.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.706 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.71 -71.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.525 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.622 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.8 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.57 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.23 -29.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.411 ' HG2' HG22 ' A' ' 7' ' ' ILE . 1.7 mtt180 -94.27 -15.17 24.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.622 ' N ' ' O ' ' A' ' 6' ' ' ILE . 7.7 mtmt -68.13 -28.11 67.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.358 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.57 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.57 -59.6 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.629 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 5.9 tp -61.02 -11.29 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -94.72 -60.3 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.527 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.778 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -53.96 -43.15 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.578 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 21.2 mm -63.92 -43.12 97.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.629 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -72.44 -48.56 40.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -50.45 21.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.778 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.43 -75.94 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.578 ' HA3' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.564 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.8 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.569 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.55 -37.32 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.414 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -94.09 -14.45 25.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.564 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.6 ttpp -68.51 -28.13 66.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.569 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.63 -59.72 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.607 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -60.73 -11.79 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.592 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.13 -60.19 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.56 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.721 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.91 -43.92 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.527 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 65.7 mt -61.63 -43.08 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.607 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.64 -51.7 12.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.9 -48.04 72.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.721 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.41 -71.28 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.64 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.5 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.57 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.97 -28.84 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.4 -15.37 24.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.64 ' N ' ' O ' ' A' ' 6' ' ' ILE . 8.1 mtpt -68.01 -28.1 67.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.57 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.61 -59.59 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.359 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.605 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 8.1 tp -60.78 -11.76 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.624 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.2 -60.34 1.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.626 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.699 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.53 -43.96 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.522 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 67.5 mt -61.68 -43.69 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.605 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -75.03 -51.2 14.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.624 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.57 -48.66 71.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.699 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.67 -71.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.948 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.651 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.7 mt . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.558 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.13 -28.71 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.39 -15.52 24.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.651 ' N ' ' O ' ' A' ' 6' ' ' ILE . 13.4 mtpt -67.92 -28.12 67.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.558 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.58 -59.59 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.609 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 1.1 tp -60.78 -11.81 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.243 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.579 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.17 -60.22 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.572 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.714 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.82 -43.98 69.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 69.9 mt -61.62 -43.13 96.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.68 -51.63 12.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.7 OUTLIER -65.91 -47.96 73.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.714 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.49 -71.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.671 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.4 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.516 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.77 -39.54 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.544 ' O ' ' CD ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -81.56 -2.89 51.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.671 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -67.64 -28.0 67.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.516 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 1.1 pp -60.91 -60.27 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.615 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 3.6 tp -60.3 -11.97 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.66 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -93.83 -60.22 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.592 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.7 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.76 -43.82 68.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 5.7 mm -61.74 -43.22 96.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.615 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.78 -51.69 12.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.66 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -65.7 -48.04 73.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.7 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.57 -71.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.61 HG23 ' HD3' ' A' ' 9' ' ' LYS . 4.8 mt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.536 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -42.98 -32.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.343 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.49 -20.0 18.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.61 ' HD3' HG23 ' A' ' 6' ' ' ILE . 5.5 pttt -70.92 -27.9 64.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.536 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.84 -59.3 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.596 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 8.0 tp -61.15 -11.58 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.628 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.52 -60.07 1.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.601 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.714 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.94 -43.83 70.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.523 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 62.4 mt -61.86 -43.21 97.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.75 -51.64 12.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.628 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.3 OUTLIER -65.76 -48.09 73.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.714 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.51 -71.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 111.047 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.625 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.5 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.563 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.49 -29.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.36 -15.51 24.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.625 ' N ' ' O ' ' A' ' 6' ' ' ILE . 3.3 mttt -68.06 -28.12 67.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.563 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.57 -59.7 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.779 ' O ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -60.77 -11.75 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.12 -60.35 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.602 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.701 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.49 -44.06 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.533 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 8.7 mm -61.55 -43.73 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.602 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -74.83 -50.93 15.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -65.73 -48.83 70.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.701 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.6 -71.2 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.6 pttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -56.95 -85.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.562 HD13 HD12 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -117.82 -0.85 11.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -62.92 -65.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -49.61 -27.55 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.562 HD12 HD13 ' A' ' 3' ' ' LEU . 4.4 mt -65.53 -52.83 46.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.56 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.59 -37.19 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.449 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -94.09 -14.52 25.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.556 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.8 OUTLIER -68.44 -28.15 66.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.56 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.63 -59.62 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.6 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 11.0 tt -60.84 -11.66 4.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.63 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.3 t60 -94.26 -60.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.588 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.716 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.93 -43.95 70.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.531 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 54.8 mt -61.62 -43.13 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.6 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.61 -51.7 12.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.361 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.63 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.9 -48.04 72.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.716 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.37 -71.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.531 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 2.2 t-20 78.21 1.37 2.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.882 HD22 HD12 ' A' ' 6' ' ' ILE . 0.2 OUTLIER 84.85 -7.21 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.353 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.4 ' O ' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -63.39 -63.7 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -50.38 -27.51 6.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.882 HD12 HD22 ' A' ' 3' ' ' LEU . 4.6 mt -65.53 -52.8 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.561 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.63 -37.2 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.438 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -94.1 -14.5 25.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -68.44 -28.19 66.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.561 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.62 -59.66 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.603 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -60.77 -11.72 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.622 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.14 -60.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.578 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.723 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.86 -43.96 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.528 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 14.7 mm -61.56 -43.13 96.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.603 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.66 -51.66 12.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.622 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -65.91 -48.02 72.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.723 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.43 -71.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.528 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.427 ' HD2' ' CD ' ' A' ' 5' ' ' ARG . 10.1 tttm . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.456 ' OD1' ' CD2' ' A' ' 3' ' ' LEU . 8.5 t30 59.17 -90.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.875 ' CD1' HD12 ' A' ' 6' ' ' ILE . 3.1 mm? -123.75 -0.85 8.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -64.31 -67.04 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.427 ' CD ' ' HD2' ' A' ' 1' ' ' LYS . 22.3 mtp180 -47.34 -28.31 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.875 HD12 ' CD1' ' A' ' 3' ' ' LEU . 2.9 mt -66.0 -52.94 42.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.565 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.75 -37.13 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -94.08 -14.02 26.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.563 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.9 OUTLIER -68.53 -28.23 66.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.565 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.55 -59.71 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.322 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.608 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 2.1 tt -60.81 -11.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.619 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.24 -60.23 1.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.57 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.724 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.87 -44.03 70.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.533 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 88.9 mt -61.53 -43.11 96.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.608 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.57 -51.8 12.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.619 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.78 -47.96 73.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.724 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.52 -71.38 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.566 1.166 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.444 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER 73.56 -65.96 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.915 HD22 HD12 ' A' ' 6' ' ' ILE . 0.2 OUTLIER 84.78 -7.22 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.402 ' O ' HG22 ' A' ' 7' ' ' ILE . 14.3 mmt-85 -63.36 -63.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -50.29 -27.59 6.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.915 HD12 HD22 ' A' ' 3' ' ' LEU . 4.6 mt -65.52 -52.78 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.568 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.63 -37.2 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.442 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -94.11 -14.46 25.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 110.285 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.551 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.9 ttpt -68.55 -28.1 66.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.568 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.62 -59.66 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.609 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 8.3 tp -60.81 -11.72 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.619 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.18 -60.27 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.605 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.698 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.56 -43.92 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.533 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 18.0 mm -61.7 -43.89 97.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -74.84 -50.97 15.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.619 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -65.49 -49.02 70.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.698 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.63 -71.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 111.023 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.038 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -90.32 56.9 3.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.547 HD13 HD12 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -66.28 -11.29 49.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.533 ' O ' HG22 ' A' ' 7' ' ' ILE . 10.4 ptt180 -60.42 -53.4 58.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.33 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.424 ' N ' ' CG ' ' A' ' 4' ' ' ARG . 35.2 mtt-85 -57.03 -28.78 62.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.567 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.4 mt -65.95 -52.38 49.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.555 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.58 -36.94 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -94.38 -14.89 24.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.9 OUTLIER -68.55 -28.01 66.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.555 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.64 -59.66 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.741 HD13 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -60.79 -11.71 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.6 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.21 -60.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.583 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.716 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.88 -43.94 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 72.7 mt -61.57 -43.13 96.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.61 -51.74 12.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.6 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.8 OUTLIER -65.87 -47.97 73.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.716 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.42 -71.35 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.977 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.436 ' H2 ' ' HG3' ' A' ' 4' ' ' ARG . 1.9 pttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 -73.55 68.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.558 HD13 HD12 ' A' ' 6' ' ' ILE . 0.5 OUTLIER 73.79 2.88 4.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.436 ' HG3' ' H2 ' ' A' ' 1' ' ' LYS . 3.8 mmm180 -64.97 -67.68 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -48.16 -27.86 2.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.575 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.3 mt -64.92 -53.2 44.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.545 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.07 -32.85 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.43 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -96.33 -19.72 19.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.3 OUTLIER -70.97 -27.96 64.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.545 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.95 -59.28 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.611 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 1.2 tt -61.18 -11.53 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.594 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.3 t60 -94.53 -60.17 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.614 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.698 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.9 -43.86 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.523 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 50.6 mt -61.74 -43.26 96.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.611 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.77 -51.66 12.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.68 -48.13 73.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.698 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.55 -71.28 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 2' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.404 ' ND2' ' HG3' ' A' ' 4' ' ' ARG . 1.1 t-20 -40.63 151.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.888 HD13 HD12 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -80.23 1.68 27.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.409 ' O ' HG22 ' A' ' 7' ' ' ILE . 4.3 mtt-85 -62.89 -66.23 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -49.45 -27.38 4.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.888 HD12 HD13 ' A' ' 3' ' ' LEU . 4.7 mt -65.47 -52.92 45.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.566 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.77 -30.1 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.41 ' HG2' HG22 ' A' ' 7' ' ' ILE . 2.5 mtp180 -94.38 -15.88 23.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.607 ' HG2' HG23 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -68.87 -27.86 66.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.566 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -61.13 -59.68 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.61 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -60.78 -11.86 4.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.521 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -93.89 -60.12 1.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.603 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.725 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.99 -43.89 71.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.521 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 86.3 mt -61.65 -43.0 96.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.61 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.72 -51.75 12.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.8 OUTLIER -65.82 -48.03 73.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.725 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.4 -71.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.521 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -85.99 -85.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.705 HD13 HD12 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -80.45 1.51 28.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.412 ' O ' HG22 ' A' ' 7' ' ' ILE . 1.1 mmm180 -62.96 -66.2 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -49.4 -27.42 4.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.705 HD12 HD13 ' A' ' 3' ' ' LEU . 4.7 mt -65.49 -52.86 46.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.578 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.8 -30.01 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.426 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -94.47 -15.92 23.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.595 ' HG2' HG23 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -68.83 -27.94 66.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.578 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -61.12 -59.74 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.606 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 2.1 tp -60.77 -11.89 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.588 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -93.83 -60.23 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.602 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.721 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.93 -43.88 70.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.519 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 65.5 mt -61.64 -43.0 96.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.606 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.77 -51.73 11.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.588 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.83 -47.99 73.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.721 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.44 -71.29 0.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.519 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 50.33 -175.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.653 ' N ' HD22 ' A' ' 3' ' ' LEU . 1.4 mm? -92.33 1.44 57.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -65.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -50.15 -28.15 6.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.652 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.9 mt -63.87 -50.91 75.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.562 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.76 -29.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.405 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -94.26 -15.07 24.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.652 ' N ' ' O ' ' A' ' 6' ' ' ILE . 15.2 mtpt -68.0 -28.12 67.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.562 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.59 -59.72 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.585 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 5.1 tt -60.8 -11.77 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.596 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.13 -60.21 1.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.575 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.712 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.91 -43.93 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 56.9 mt -61.6 -43.11 96.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.585 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.59 -51.7 12.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.596 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.93 -47.98 72.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.712 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.46 -71.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.5 mttp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 2' ' ' ASN . 35.7 t30 49.79 47.44 23.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.688 HD13 HD12 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -78.97 0.36 27.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -62.96 -65.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.401 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 83.9 mtt180 -49.92 -28.21 6.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.688 HD12 HD13 ' A' ' 3' ' ' LEU . 4.7 mt -63.93 -51.0 74.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.568 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.76 -29.21 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.411 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -94.19 -15.11 24.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.665 ' N ' ' O ' ' A' ' 6' ' ' ILE . 12.2 mtpt -67.95 -28.16 67.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.568 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.66 -59.65 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.604 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 9.3 tt -60.73 -11.89 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.605 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.03 -60.2 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.621 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.721 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.83 -43.95 69.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 20.9 mm -61.63 -43.1 96.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.604 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.66 -51.61 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.605 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.98 -47.94 72.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.721 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.43 -71.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.406 ' H3 ' ' HG2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 178.62 139.71 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.699 HD13 HD12 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -75.54 -2.97 31.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.486 ' O ' HG22 ' A' ' 7' ' ' ILE . 2.4 mmt180 -61.21 -61.03 2.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 110.334 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -52.69 -28.46 21.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.699 HD12 HD13 ' A' ' 3' ' ' LEU . 4.6 mt -65.69 -52.07 54.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.577 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.97 -38.15 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.527 ' O ' ' CD ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -93.37 -13.64 27.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.545 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -69.15 -28.33 66.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.368 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.577 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.91 -60.03 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.603 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -59.91 -12.76 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.34 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.613 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -92.0 -58.9 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.635 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.718 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -55.16 -44.11 73.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 44.2 mt -61.55 -43.08 96.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.603 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.53 -51.73 12.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.613 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -65.95 -47.96 72.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.718 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.36 -71.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.402 ' C ' ' CG ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.402 ' CG ' ' C ' ' A' ' 1' ' ' LYS . 1.4 p-10 41.73 90.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.884 HD13 HD12 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -79.43 0.93 27.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.403 ' O ' HG22 ' A' ' 7' ' ' ILE . 1.6 mmp_? -62.65 -65.9 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 51.4 mtt180 -50.23 -28.1 7.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.884 HD12 HD13 ' A' ' 3' ' ' LEU . 4.9 mt -63.85 -50.75 76.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.566 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.56 -29.29 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.405 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -94.22 -14.96 25.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.655 ' N ' ' O ' ' A' ' 6' ' ' ILE . 24.8 mttt -67.94 -28.14 67.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.566 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.61 -59.76 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.605 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -60.71 -11.8 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.615 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.09 -60.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.596 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.693 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.93 -43.87 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.53 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 76.3 mt -61.66 -43.08 96.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.605 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.63 -51.75 12.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.615 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -65.89 -48.01 72.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.693 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.4 -71.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.53 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 62.04 143.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.842 HD13 HD12 ' A' ' 6' ' ' ILE . 0.9 OUTLIER -77.36 -1.41 29.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.402 ' O ' HG22 ' A' ' 7' ' ' ILE . 13.6 mmt180 -63.04 -65.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -50.18 -28.26 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.842 HD12 HD13 ' A' ' 3' ' ' LEU . 4.7 mt -63.83 -50.71 76.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.557 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.55 -29.26 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.406 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -94.18 -14.98 25.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.669 ' N ' ' O ' ' A' ' 6' ' ' ILE . 21.3 mttm -67.88 -28.16 67.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.557 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.58 -59.73 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.597 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -60.75 -11.75 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.544 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.24 -60.27 1.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.584 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.706 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.6 -43.88 66.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.525 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 56.9 mt -61.78 -43.64 97.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.597 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.05 -51.2 14.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.55 -48.61 71.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.706 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.71 -71.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.525 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -66.7 166.73 12.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.903 HD13 HD12 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -80.0 1.45 27.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.407 ' O ' HG22 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -62.77 -66.2 0.58 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.278 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -49.86 -27.9 5.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.903 HD12 HD13 ' A' ' 3' ' ' LEU . 4.8 mt -64.26 -51.59 66.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.57 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -45.23 -29.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.411 ' HG2' HG22 ' A' ' 7' ' ' ILE . 1.7 mtt180 -94.27 -15.17 24.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.622 ' N ' ' O ' ' A' ' 6' ' ' ILE . 7.7 mtmt -68.13 -28.11 67.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.358 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.57 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.57 -59.6 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.629 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 5.9 tp -61.02 -11.29 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -94.72 -60.3 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.527 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.778 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -53.96 -43.15 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.578 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 21.2 mm -63.92 -43.12 97.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.629 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -72.44 -48.56 40.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -50.45 21.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.778 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.43 -75.94 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.578 ' HA3' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.642 ' O ' HD23 ' A' ' 3' ' ' LEU . 34.3 m-80 -46.43 -52.42 13.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 2' ' ' ASN . 0.2 OUTLIER 170.21 -19.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.423 ' O ' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -60.02 -57.41 12.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -54.62 -27.55 40.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.564 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.8 mt -65.81 -52.55 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.569 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -43.55 -37.32 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.414 ' HG2' HG22 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -94.09 -14.45 25.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.564 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.6 ttpp -68.51 -28.13 66.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.569 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.63 -59.72 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.607 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -60.73 -11.79 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.592 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.13 -60.19 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.56 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.721 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.91 -43.92 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.527 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 65.7 mt -61.63 -43.08 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.607 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.64 -51.7 12.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.9 -48.04 72.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.721 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.41 -71.28 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.621 ' C ' HD22 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -47.49 172.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.669 ' N ' HD22 ' A' ' 3' ' ' LEU . 1.3 mm? -117.1 -7.52 11.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.542 ' O ' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -60.83 -54.18 48.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.439 ' N ' ' CG ' ' A' ' 4' ' ' ARG . 13.4 mtt-85 -57.1 -29.31 63.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.64 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.5 mt -64.63 -50.74 74.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.57 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -44.97 -28.84 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.4 -15.37 24.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.64 ' N ' ' O ' ' A' ' 6' ' ' ILE . 8.1 mtpt -68.01 -28.1 67.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.57 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.61 -59.59 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.359 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.605 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 8.1 tp -60.78 -11.76 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.624 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.2 -60.34 1.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.626 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.699 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.53 -43.96 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.522 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 67.5 mt -61.68 -43.69 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.605 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -75.03 -51.2 14.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.624 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.57 -48.66 71.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.699 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.67 -71.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.948 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.456 ' HB2' ' CG ' ' A' ' 4' ' ' ARG . 5.9 m120 -49.25 174.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 1.051 HD13 HD12 ' A' ' 6' ' ' ILE . 2.5 mm? -82.18 -11.94 58.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.595 ' O ' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -56.18 -55.37 34.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -56.23 -30.01 61.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 1.051 HD12 HD13 ' A' ' 3' ' ' LEU . 4.7 mt -65.03 -50.57 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.595 HG22 ' O ' ' A' ' 4' ' ' ARG . 0.2 OUTLIER -45.13 -28.71 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.39 -15.52 24.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.651 ' N ' ' O ' ' A' ' 6' ' ' ILE . 13.4 mtpt -67.92 -28.12 67.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.558 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.58 -59.59 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.609 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 1.1 tp -60.78 -11.81 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.243 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.579 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.17 -60.22 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.572 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.714 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.82 -43.98 69.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 69.9 mt -61.62 -43.13 96.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.68 -51.63 12.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.7 OUTLIER -65.91 -47.96 73.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.714 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.49 -71.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.1 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -41.02 134.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.776 HD13 HD12 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -75.67 -3.19 33.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.519 ' O ' HG22 ' A' ' 7' ' ' ILE . 0.9 OUTLIER -60.92 -60.38 3.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.407 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 5.9 mtt180 -53.04 -27.72 21.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.776 HD12 HD13 ' A' ' 3' ' ' LEU . 4.4 mt -67.49 -51.69 49.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.519 HG22 ' O ' ' A' ' 4' ' ' ARG . 0.2 OUTLIER -45.77 -39.54 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.544 ' O ' ' CD ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -81.56 -2.89 51.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.671 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -67.64 -28.0 67.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.516 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 1.1 pp -60.91 -60.27 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.615 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 3.6 tp -60.3 -11.97 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.66 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -93.83 -60.22 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.592 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.7 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.76 -43.82 68.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 5.7 mm -61.74 -43.22 96.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.615 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.78 -51.69 12.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.66 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -65.7 -48.04 73.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.7 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.57 -71.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.647 ' O ' HD23 ' A' ' 3' ' ' LEU . 24.6 t-20 -40.7 -52.81 2.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 2' ' ' ASN . 0.2 OUTLIER 169.97 -19.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.514 ' O ' HG22 ' A' ' 7' ' ' ILE . 5.1 mmt180 -60.25 -55.83 28.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -55.2 -28.67 54.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.61 HG23 ' HD3' ' A' ' 9' ' ' LYS . 4.8 mt -65.17 -52.86 47.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.536 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -42.98 -32.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.343 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.49 -20.0 18.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.61 ' HD3' HG23 ' A' ' 6' ' ' ILE . 5.5 pttt -70.92 -27.9 64.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.536 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.84 -59.3 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.596 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 8.0 tp -61.15 -11.58 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.628 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.52 -60.07 1.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.601 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.714 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.9 mm -54.94 -43.83 70.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.523 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 62.4 mt -61.86 -43.21 97.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.75 -51.64 12.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.628 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.3 OUTLIER -65.76 -48.09 73.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.714 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.51 -71.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 111.047 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.2 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.627 ' O ' HD23 ' A' ' 3' ' ' LEU . 38.9 m-80 -41.27 -52.56 3.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.627 HD23 ' O ' ' A' ' 2' ' ' ASN . 0.2 OUTLIER 170.2 -20.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.572 ' O ' HG22 ' A' ' 7' ' ' ILE . 12.7 ptp180 -59.56 -52.35 65.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.421 ' N ' ' CG ' ' A' ' 4' ' ' ARG . 5.5 mtt-85 -57.19 -29.65 63.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.625 ' O ' ' N ' ' A' ' 9' ' ' LYS . 4.5 mt -64.95 -51.38 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.572 HG22 ' O ' ' A' ' 4' ' ' ARG . 0.2 OUTLIER -45.49 -29.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.36 -15.51 24.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.625 ' N ' ' O ' ' A' ' 6' ' ' ILE . 3.3 mttt -68.06 -28.12 67.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.563 ' CG1' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.57 -59.7 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.779 HD13 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -60.77 -11.75 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.2 t60 -94.12 -60.35 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.602 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.701 ' O ' ' N ' ' A' ' 17' ' ' TYR . 1.8 mm -54.49 -44.06 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.533 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 8.7 mm -61.55 -43.73 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.602 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -74.83 -50.93 15.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -65.73 -48.83 70.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.701 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.6 -71.2 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 14' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 stop_ save_