data_1hu6_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 1hu6 _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 ' 3' ' ' LEU . . . . . 0.659 ' O ' ' N ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -48.11 -48.77 33.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.62 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 3.5 mtm180 -64.62 -30.86 71.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.545 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.4 -43.65 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.659 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.82 -54.67 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.589 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -71.71 -19.89 61.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.62 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.24 -63.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.14 -30.89 7.95 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.57 ' CG2' ' CD1' ' A' ' 13' ' ' ILE . 2.1 mt -82.32 -64.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.589 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 1.1 m170 26.57 72.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.57 ' CD1' ' CG2' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.52 -50.18 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.47 -24.04 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -78.32 -26.43 46.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.541 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.5 mttm -92.8 31.11 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.608 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.6 mm? . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.0 mtt85 -48.05 -48.93 32.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.623 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -64.3 -31.72 73.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.56 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -82.5 -43.86 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.608 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.8 -54.46 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.58 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -71.95 -19.83 61.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.623 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -53.27 -63.59 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.2 -30.84 8.04 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.56 1.163 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.57 ' CG2' ' CD1' ' A' ' 13' ' ' ILE . 2.1 mt -82.4 -64.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.763 . . . . 0.0 109.256 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.58 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 1.1 m170 26.5 72.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.591 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.57 ' CD1' ' CG2' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.54 -50.17 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.49 -24.01 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -78.42 -26.35 46.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.553 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.3 mttm -92.8 31.1 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.968 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.579 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -47.66 -47.87 29.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.616 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 2.1 mtt85 -64.87 -30.79 71.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.545 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.91 -43.42 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 3' ' ' LEU . 2.2 mt -58.73 -55.08 25.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.54 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -70.59 -21.02 62.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.616 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 2.2 mmtt -53.18 -63.47 1.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.21 -30.4 7.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.576 1.173 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.563 ' O ' ' C ' ' A' ' 12' ' ' HIS . 1.9 mt -83.37 -65.02 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.556 0.798 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.563 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER 26.25 72.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.573 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.556 ' CD1' ' CG2' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.1 -50.01 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.53 -24.07 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -78.32 -26.42 46.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.554 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.4 mttm -92.76 31.09 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.03 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.615 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.8 mm? . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 4' ' ' ARG . 14.2 mtp-105 -47.92 -48.94 31.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.623 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -64.63 -30.8 71.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.549 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.54 -43.76 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.615 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.69 -54.92 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -70.83 -20.97 62.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.265 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.623 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 1.0 OUTLIER -53.03 -63.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.33 -30.43 7.99 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.555 ' O ' ' C ' ' A' ' 12' ' ' HIS . 1.9 mt -83.19 -64.87 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 0.75 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.555 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER 26.18 72.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.576 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.551 ' CD1' ' CG2' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.28 -50.1 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.5 -24.06 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -78.34 -26.33 46.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.536 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.6 mttm -92.69 31.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.605 ' O ' ' N ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.3 mtp85 -47.6 -48.03 28.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.629 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -64.69 -30.93 71.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.571 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.74 -43.25 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.605 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.2 mt -58.84 -54.84 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.579 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -71.56 -19.92 62.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.629 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.21 -63.71 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.04 -30.93 7.76 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.578 ' CG2' ' CD1' ' A' ' 13' ' ' ILE . 2.0 mt -82.34 -64.25 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.579 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 1.1 m170 26.53 72.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.613 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.578 ' CD1' ' CG2' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.48 -50.17 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.47 -23.96 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -78.39 -26.41 46.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.549 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.3 mttm -92.74 31.07 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.571 ' O ' HG13 ' A' ' 7' ' ' ILE . 2.1 mm? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -47.73 -47.81 30.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.622 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -64.93 -30.73 71.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.535 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.96 -43.7 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.571 HG13 ' O ' ' A' ' 3' ' ' LEU . 2.3 mt -58.5 -54.91 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.588 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -70.32 -21.93 62.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.247 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.622 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -52.98 -63.22 1.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.16 -30.5 7.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.57 ' O ' ' C ' ' A' ' 12' ' ' HIS . 1.8 mt -83.42 -65.05 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.588 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 0.9 OUTLIER 25.9 72.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.608 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.561 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -119.08 -50.08 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.53 -24.05 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -78.4 -26.22 46.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.561 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.7 mttm -92.78 30.97 1.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.682 ' O ' HG13 ' A' ' 7' ' ' ILE . 3.2 mm? . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -51.77 -49.75 62.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.62 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -61.85 -32.35 72.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.266 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.562 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -82.47 -43.72 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.682 HG13 ' O ' ' A' ' 3' ' ' LEU . 1.9 mt -58.54 -54.43 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.582 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -72.0 -20.12 61.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.62 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.03 -63.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.24 -30.85 8.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.566 ' O ' ' C ' ' A' ' 12' ' ' HIS . 2.1 mt -82.42 -64.25 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 0.744 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.582 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 1.1 m170 26.37 72.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.609 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.563 ' CD1' ' CG2' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.42 -50.08 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.52 -24.01 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -78.36 -26.41 46.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.541 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.8 mttm -92.79 31.11 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.654 ' O ' ' N ' ' A' ' 7' ' ' ILE . 2.3 mm? . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -48.05 -48.75 33.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.262 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.626 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 5.3 mtt-85 -64.76 -30.62 71.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.549 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.72 -43.78 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.654 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.6 -55.01 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.525 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.5 -21.25 62.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.626 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.28 -63.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.42 -30.34 8.09 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.562 ' O ' ' C ' ' A' ' 12' ' ' HIS . 1.8 mt -83.43 -64.92 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.562 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER 25.72 73.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.571 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.533 ' CD1' ' CG2' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.72 -49.1 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.09 -19.72 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.2 -30.02 31.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.532 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.2 mttm -90.5 32.89 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.649 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.8 mm? . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -48.02 -48.69 32.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.624 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 5.9 mtt180 -64.84 -30.63 71.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.255 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.547 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.68 -43.9 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.649 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.47 -55.0 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.538 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.45 -21.33 62.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.624 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -53.29 -63.24 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.4 -30.26 7.99 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.571 ' O ' ' C ' ' A' ' 12' ' ' HIS . 1.8 mt -83.6 -64.91 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.571 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER 25.7 73.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.593 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.547 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -118.7 -49.12 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.12 -19.67 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.407 ' CE ' ' ND1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -82.2 -30.02 31.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.547 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.0 OUTLIER -90.58 32.93 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.632 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.7 mm? . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.402 ' HB2' ' NH1' ' A' ' 4' ' ' ARG . 19.2 mtm105 -47.94 -48.79 31.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.607 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 2.4 mtm180 -64.81 -30.49 71.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.542 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.82 -44.03 18.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.632 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.5 mt -58.41 -55.04 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.642 ' NE ' ' HE2' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -69.76 -22.2 63.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.607 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 2.0 mmtt -53.4 -62.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.39 -30.19 7.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.576 ' O ' ' C ' ' A' ' 12' ' ' HIS . 1.7 mt -84.05 -65.27 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.642 ' HE2' ' NE ' ' A' ' 8' ' ' ARG . 0.6 OUTLIER 24.95 74.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.62 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.541 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -118.57 -49.13 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.16 -19.67 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.25 -30.0 30.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.541 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.7 mttm -90.51 32.85 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.628 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.7 mm? . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -48.2 -48.64 34.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.606 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 13.7 mtt180 -64.91 -30.48 71.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.519 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.85 -44.06 18.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.628 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.5 mt -58.39 -54.99 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.648 ' NE ' ' HE2' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -69.83 -22.19 63.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.606 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 1.8 mmtp -53.32 -63.0 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.4 -30.22 7.95 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.583 ' O ' ' C ' ' A' ' 12' ' ' HIS . 1.6 mt -83.94 -65.18 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.782 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.648 ' HE2' ' NE ' ' A' ' 8' ' ' ARG . 0.7 OUTLIER 24.68 74.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.617 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.546 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -118.68 -49.2 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.12 -19.72 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.12 -30.04 31.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.546 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 0.9 OUTLIER -90.53 32.84 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.604 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.7 mm? . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -47.89 -48.88 31.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.618 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 2.4 ptt180 -64.46 -31.53 72.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.557 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -82.68 -44.1 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.604 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.5 mt -58.58 -54.76 28.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.531 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -70.85 -21.14 62.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.618 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.23 -63.25 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.43 -30.39 8.15 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.575 ' O ' ' C ' ' A' ' 12' ' ' HIS . 1.8 mt -83.33 -64.77 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.575 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER 25.58 74.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.589 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.553 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -118.75 -49.33 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.99 -19.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.19 -29.85 31.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.553 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 6.6 mttt -90.29 32.58 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.623 ' O ' ' N ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -48.03 -48.71 32.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.626 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -64.85 -30.59 71.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.551 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.67 -43.61 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.623 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.87 -54.93 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.527 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.81 -20.53 62.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.313 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.626 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -53.43 -64.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.7 -30.06 4.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.56 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 1.7 mt -84.16 -67.02 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.53 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER 29.65 65.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.596 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.571 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -118.82 -47.58 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.6 -24.08 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -78.92 -25.75 43.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.571 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.0 mttm -93.44 31.46 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.597 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.0 mm? . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 4' ' ' ARG . 11.7 mtp-105 -47.59 -48.01 28.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.602 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -64.9 -30.36 71.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 110.315 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.52 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -84.33 -43.28 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.597 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.2 mt -58.88 -55.48 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.59 ' HD3' ' CD2' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -69.24 -20.42 63.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.602 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -56.07 -63.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.52 -28.23 4.79 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.616 ' O ' ' C ' ' A' ' 12' ' ' HIS . 1.2 mt -85.11 -68.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.616 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER 20.66 73.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.592 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.567 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -121.72 -49.08 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.28 -24.03 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -78.54 -26.01 45.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.567 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.6 mttm -92.93 30.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.984 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.62 ' O ' ' N ' ' A' ' 7' ' ' ILE . 1.4 mm? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.41 ' HB2' ' NH1' ' A' ' 4' ' ' ARG . 18.6 mtm105 -47.86 -48.17 31.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.612 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 3.2 mtt-85 -64.82 -30.73 71.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.554 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.86 -43.61 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.62 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.3 mt -58.71 -55.01 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.531 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.56 -21.11 62.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.612 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.27 -63.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.39 -30.33 8.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.567 ' O ' ' C ' ' A' ' 12' ' ' HIS . 1.8 mt -83.45 -64.87 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.567 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER 25.62 73.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.593 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.545 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -118.77 -49.03 3.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.16 -19.68 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.413 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.18 -30.04 31.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.545 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.6 mttm -90.53 32.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.976 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.586 ' O ' HG13 ' A' ' 7' ' ' ILE . 1.4 mm? . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.3 mtm105 -47.74 -48.24 29.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.629 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 4.1 mtt180 -64.73 -30.95 71.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.56 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.61 -43.43 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' ' 3' ' ' LEU . 2.3 mt -58.82 -54.68 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.584 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -71.69 -19.91 62.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.629 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.23 -63.62 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.24 -30.84 8.13 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.569 ' CG2' ' CD1' ' A' ' 13' ' ' ILE . 2.0 mt -82.32 -64.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.584 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 1.0 OUTLIER 26.23 73.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.557 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.569 ' CD1' ' CG2' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.06 -49.15 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.02 -19.77 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.15 -30.0 31.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.553 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.5 mttm -90.59 32.9 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.599 ' O ' HG13 ' A' ' 7' ' ' ILE . 3.2 mm? . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -48.02 -48.65 32.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.62 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 2.5 mtt180 -64.85 -30.78 71.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.54 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.51 -43.99 18.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.599 HG13 ' O ' ' A' ' 3' ' ' LEU . 2.6 mt -58.55 -54.29 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -71.29 -20.62 62.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.62 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -54.01 -63.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.24 -30.11 7.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.575 ' O ' ' C ' ' A' ' 12' ' ' HIS . 1.8 mt -83.42 -65.02 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.575 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER 25.57 73.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.596 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.542 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -118.63 -49.07 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.13 -19.7 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.24 -29.94 31.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -90.58 32.88 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.684 ' O ' HG13 ' A' ' 7' ' ' ILE . 3.3 mm? . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -51.89 -49.64 62.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.604 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 6.4 mtt180 -62.22 -31.27 71.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.555 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -83.53 -43.69 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.684 HG13 ' O ' ' A' ' 3' ' ' LEU . 1.9 mt -58.36 -54.86 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.52 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.86 -21.12 62.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.604 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 1.7 mmtp -53.18 -63.21 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.5 -30.37 8.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.57 ' O ' ' C ' ' A' ' 12' ' ' HIS . 1.8 mt -83.33 -64.79 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.57 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER 25.64 73.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.614 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.557 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -118.79 -49.3 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.97 -19.69 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -29.78 31.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.557 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.1 mttm -90.36 32.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.689 ' O ' HG13 ' A' ' 7' ' ' ILE . 3.2 mm? . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -51.82 -49.63 62.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.613 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -62.06 -32.23 72.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.551 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -82.52 -44.15 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.689 HG13 ' O ' ' A' ' 3' ' ' LEU . 2.1 mt -58.29 -54.52 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.172 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.537 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -71.2 -21.08 62.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.613 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 2.7 mmtp -53.17 -63.11 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.52 -30.42 8.38 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.43 1.082 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.555 ' O ' ' C ' ' A' ' 12' ' ' HIS . 1.8 mt -83.27 -64.83 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.555 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER 25.75 73.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.604 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.535 ' CD1' ' CG2' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.72 -49.1 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.14 -19.66 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.27 -29.95 30.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.534 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.3 mttm -90.58 32.94 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 111.006 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.616 ' O ' ' N ' ' A' ' 7' ' ' ILE . 1.8 mm? . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -47.49 -48.03 27.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.608 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -64.61 -31.56 72.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 110.254 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.538 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.09 -43.94 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.616 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.48 -54.94 26.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.637 ' NE ' ' HE2' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -69.87 -22.18 63.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.608 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.45 -63.1 1.26 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.35 -30.05 7.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.551 1.157 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.574 ' O ' ' C ' ' A' ' 12' ' ' HIS . 1.7 mt -84.24 -65.43 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.637 ' HE2' ' NE ' ' A' ' 8' ' ' ARG . 0.6 OUTLIER 25.4 72.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.591 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.562 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -119.02 -50.73 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.1 -26.81 5.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.695 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -74.52 -26.83 60.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.562 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.0 OUTLIER -93.53 30.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.958 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.416 ' N ' ' HD3' ' A' ' 4' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.441 ' C ' ' N ' ' A' ' 4' ' ' ARG . 29.1 t30 -115.3 159.12 21.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.659 ' O ' ' N ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER 47.83 20.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.441 ' N ' ' C ' ' A' ' 2' ' ' ASN . 57.0 mtm180 -48.11 -48.77 33.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.62 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 3.5 mtm180 -64.62 -30.86 71.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.545 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.4 -43.65 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.659 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.82 -54.67 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.589 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -71.71 -19.89 61.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.62 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.24 -63.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.14 -30.89 7.95 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.57 ' CG2' ' CD1' ' A' ' 13' ' ' ILE . 2.1 mt -82.32 -64.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.589 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 1.1 m170 26.57 72.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.57 ' CD1' ' CG2' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.52 -50.18 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.47 -24.04 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -78.32 -26.43 46.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.541 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.5 mttm -92.8 31.11 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -127.24 162.58 25.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.093 . . . . 0.0 111.025 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.443 ' C ' ' N ' ' A' ' 4' ' ' ARG . 3.1 t-20 -62.15 -156.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.608 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.6 mm? 47.86 20.59 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.443 ' N ' ' C ' ' A' ' 2' ' ' ASN . 9.0 mtt85 -48.05 -48.93 32.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.623 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -64.3 -31.72 73.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.56 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -82.5 -43.86 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.608 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.8 -54.46 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.58 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -71.95 -19.83 61.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.623 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -53.27 -63.59 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.2 -30.84 8.04 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.56 1.163 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.57 ' CG2' ' CD1' ' A' ' 13' ' ' ILE . 2.1 mt -82.4 -64.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.763 . . . . 0.0 109.256 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.58 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 1.1 m170 26.5 72.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.591 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.57 ' CD1' ' CG2' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.54 -50.17 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.49 -24.01 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -78.42 -26.35 46.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.553 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.3 mttm -92.8 31.1 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -127.29 149.72 49.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.446 ' C ' ' H ' ' A' ' 4' ' ' ARG . 87.8 m-20 -85.25 8.1 19.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.579 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.8 OUTLIER -79.25 16.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.446 ' H ' ' C ' ' A' ' 2' ' ' ASN . 2.6 mtt85 -47.66 -47.87 29.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.616 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 2.1 mtt85 -64.87 -30.79 71.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.545 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.91 -43.42 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 3' ' ' LEU . 2.2 mt -58.73 -55.08 25.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.54 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -70.59 -21.02 62.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.616 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 2.2 mmtt -53.18 -63.47 1.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.21 -30.4 7.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.576 1.173 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.563 ' O ' ' C ' ' A' ' 12' ' ' HIS . 1.9 mt -83.37 -65.02 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.556 0.798 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.563 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER 26.25 72.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.573 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.556 ' CD1' ' CG2' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.1 -50.01 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.53 -24.07 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -78.32 -26.42 46.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.554 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.4 mttm -92.76 31.09 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -127.23 140.58 52.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 4' ' ' ARG . 14.3 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.482 ' CB ' ' HG3' ' A' ' 4' ' ' ARG . 3.9 m-20 65.67 9.84 6.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.615 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.8 mm? 47.32 20.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.482 ' HG3' ' CB ' ' A' ' 2' ' ' ASN . 14.2 mtp-105 -47.92 -48.94 31.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.623 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -64.63 -30.8 71.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.549 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.54 -43.76 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.615 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.69 -54.92 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -70.83 -20.97 62.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.265 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.623 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 1.0 OUTLIER -53.03 -63.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.33 -30.43 7.99 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.555 ' O ' ' C ' ' A' ' 12' ' ' HIS . 1.9 mt -83.19 -64.87 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 0.75 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.555 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER 26.18 72.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.576 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.551 ' CD1' ' CG2' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.28 -50.1 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.5 -24.06 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -78.34 -26.33 46.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.536 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.6 mttm -92.69 31.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -127.27 141.7 51.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.0 tptt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.433 ' C ' ' H ' ' A' ' 4' ' ' ARG . 20.2 m-20 46.98 73.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.605 ' O ' ' N ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -79.21 16.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.433 ' H ' ' C ' ' A' ' 2' ' ' ASN . 38.3 mtp85 -47.6 -48.03 28.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.629 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -64.69 -30.93 71.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.571 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.74 -43.25 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.605 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.2 mt -58.84 -54.84 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.579 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -71.56 -19.92 62.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.629 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.21 -63.71 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.04 -30.93 7.76 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.578 ' CG2' ' CD1' ' A' ' 13' ' ' ILE . 2.0 mt -82.34 -64.25 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.579 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 1.1 m170 26.53 72.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.613 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.578 ' CD1' ' CG2' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.48 -50.17 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.47 -23.96 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -78.39 -26.41 46.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.549 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.3 mttm -92.74 31.07 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -127.23 93.13 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.115 . . . . 0.0 110.955 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.6 mttp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.429 ' C ' ' H ' ' A' ' 4' ' ' ARG . 3.2 t30 -110.73 -31.92 7.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.571 ' O ' HG13 ' A' ' 7' ' ' ILE . 2.1 mm? -79.23 16.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.429 ' H ' ' C ' ' A' ' 2' ' ' ASN . 2.1 mtt180 -47.73 -47.81 30.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.622 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -64.93 -30.73 71.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.535 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.96 -43.7 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.571 HG13 ' O ' ' A' ' 3' ' ' LEU . 2.3 mt -58.5 -54.91 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.588 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -70.32 -21.93 62.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.247 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.622 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -52.98 -63.22 1.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.16 -30.5 7.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.57 ' O ' ' C ' ' A' ' 12' ' ' HIS . 1.8 mt -83.42 -65.05 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.588 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 0.9 OUTLIER 25.9 72.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.608 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.561 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -119.08 -50.08 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.53 -24.05 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -78.4 -26.22 46.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.561 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.7 mttm -92.78 30.97 1.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -127.23 151.89 48.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.5 mptt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.452 ' O ' ' CD2' ' A' ' 3' ' ' LEU . 4.3 t-20 -82.35 58.06 3.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.682 ' O ' HG13 ' A' ' 7' ' ' ILE . 3.2 mm? -147.48 16.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -51.77 -49.75 62.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.62 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -61.85 -32.35 72.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.266 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.562 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -82.47 -43.72 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.682 HG13 ' O ' ' A' ' 3' ' ' LEU . 1.9 mt -58.54 -54.43 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.582 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -72.0 -20.12 61.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.62 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.03 -63.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.24 -30.85 8.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.566 ' O ' ' C ' ' A' ' 12' ' ' HIS . 2.1 mt -82.42 -64.25 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 0.744 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.582 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 1.1 m170 26.37 72.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.609 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.563 ' CD1' ' CG2' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.42 -50.08 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.52 -24.01 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -78.36 -26.41 46.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.541 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.8 mttm -92.79 31.11 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -127.2 177.54 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.0 mttp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.463 ' C ' ' N ' ' A' ' 4' ' ' ARG . 0.7 OUTLIER -116.74 174.09 6.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.654 ' O ' ' N ' ' A' ' 7' ' ' ILE . 2.3 mm? 47.82 20.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.097 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.463 ' N ' ' C ' ' A' ' 2' ' ' ASN . 72.7 mtm180 -48.05 -48.75 33.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.262 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.626 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 5.3 mtt-85 -64.76 -30.62 71.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.549 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.72 -43.78 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.654 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.6 -55.01 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.525 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.5 -21.25 62.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.626 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.28 -63.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.42 -30.34 8.09 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.562 ' O ' ' C ' ' A' ' 12' ' ' HIS . 1.8 mt -83.43 -64.92 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.562 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER 25.72 73.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.571 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.533 ' CD1' ' CG2' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.72 -49.1 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.09 -19.72 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.2 -30.02 31.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.532 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.2 mttm -90.5 32.89 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -127.26 97.96 5.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 75.4 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.482 ' ND2' ' NE ' ' A' ' 4' ' ' ARG . 1.0 OUTLIER 72.14 -73.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.649 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.8 mm? 47.84 20.61 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.482 ' NE ' ' ND2' ' A' ' 2' ' ' ASN . 71.1 mtm180 -48.02 -48.69 32.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.624 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 5.9 mtt180 -64.84 -30.63 71.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.255 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.547 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.68 -43.9 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.649 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.47 -55.0 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.538 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.45 -21.33 62.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.624 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -53.29 -63.24 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.4 -30.26 7.99 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.571 ' O ' ' C ' ' A' ' 12' ' ' HIS . 1.8 mt -83.6 -64.91 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.571 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER 25.7 73.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.593 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.547 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -118.7 -49.12 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.12 -19.67 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.407 ' CE ' ' ND1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -82.2 -30.02 31.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.547 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.0 OUTLIER -90.58 32.93 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -127.29 -177.21 3.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.445 ' C ' ' N ' ' A' ' 4' ' ' ARG . 9.9 t30 -148.18 44.5 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.632 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.7 mm? 47.9 20.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.445 ' N ' ' C ' ' A' ' 2' ' ' ASN . 19.2 mtm105 -47.94 -48.79 31.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.607 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 2.4 mtm180 -64.81 -30.49 71.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.542 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.82 -44.03 18.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.632 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.5 mt -58.41 -55.04 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.642 ' NE ' ' HE2' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -69.76 -22.2 63.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.607 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 2.0 mmtt -53.4 -62.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.39 -30.19 7.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.576 ' O ' ' C ' ' A' ' 12' ' ' HIS . 1.7 mt -84.05 -65.27 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.642 ' HE2' ' NE ' ' A' ' 8' ' ' ARG . 0.6 OUTLIER 24.95 74.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.62 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.541 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -118.57 -49.13 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.16 -19.67 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.25 -30.0 30.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.541 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.7 mttm -90.51 32.85 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -127.2 -46.12 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.558 1.161 . . . . 0.0 111.014 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.449 ' C ' ' N ' ' A' ' 4' ' ' ARG . 66.4 m-20 -167.71 52.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.628 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.7 mm? 47.86 20.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.449 ' N ' ' C ' ' A' ' 2' ' ' ASN . 72.6 mtp180 -48.2 -48.64 34.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.606 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 13.7 mtt180 -64.91 -30.48 71.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.519 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.85 -44.06 18.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.628 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.5 mt -58.39 -54.99 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.648 ' NE ' ' HE2' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -69.83 -22.19 63.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.606 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 1.8 mmtp -53.32 -63.0 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.4 -30.22 7.95 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.583 ' O ' ' C ' ' A' ' 12' ' ' HIS . 1.6 mt -83.94 -65.18 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.782 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.648 ' HE2' ' NE ' ' A' ' 8' ' ' ARG . 0.7 OUTLIER 24.68 74.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.617 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.546 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -118.68 -49.2 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.12 -19.72 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.12 -30.04 31.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.546 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 0.9 OUTLIER -90.53 32.84 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -127.22 -178.38 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.484 ' O ' ' CG ' ' A' ' 4' ' ' ARG . 5.1 pttp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.44 ' C ' ' N ' ' A' ' 4' ' ' ARG . 7.3 m-20 -95.3 -173.75 3.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.604 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.7 mm? 47.87 20.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' A' ' 1' ' ' LYS . 5.9 mtm180 -47.89 -48.88 31.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.618 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 2.4 ptt180 -64.46 -31.53 72.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.557 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -82.68 -44.1 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.604 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.5 mt -58.58 -54.76 28.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.531 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -70.85 -21.14 62.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.618 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.23 -63.25 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.43 -30.39 8.15 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.575 ' O ' ' C ' ' A' ' 12' ' ' HIS . 1.8 mt -83.33 -64.77 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.575 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER 25.58 74.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.589 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.553 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -118.75 -49.33 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.99 -19.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.19 -29.85 31.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.553 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 6.6 mttt -90.29 32.58 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -127.37 165.02 20.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.461 ' C ' ' N ' ' A' ' 4' ' ' ARG . 2.0 m-20 -54.18 -75.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.623 ' O ' ' N ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER 47.82 20.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.461 ' N ' ' C ' ' A' ' 2' ' ' ASN . 10.3 mtp180 -48.03 -48.71 32.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.626 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -64.85 -30.59 71.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.551 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.67 -43.61 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.623 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.87 -54.93 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.527 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.81 -20.53 62.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.313 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.626 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -53.43 -64.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.7 -30.06 4.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.56 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 1.7 mt -84.16 -67.02 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.53 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER 29.65 65.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.596 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.571 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -118.82 -47.58 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.6 -24.08 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -78.92 -25.75 43.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.571 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.0 mttm -93.44 31.46 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -127.19 -53.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.552 1.158 . . . . 0.0 111.015 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.463 ' HB3' ' CD ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.45 ' C ' ' H ' ' A' ' 4' ' ' ARG . 18.6 m-80 -113.85 -35.77 5.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.597 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.0 mm? -79.23 16.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.463 ' CD ' ' HB3' ' A' ' 1' ' ' LYS . 11.7 mtp-105 -47.59 -48.01 28.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.602 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -64.9 -30.36 71.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 110.315 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.52 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -84.33 -43.28 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.597 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.2 mt -58.88 -55.48 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.59 ' HD3' ' CD2' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -69.24 -20.42 63.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.602 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -56.07 -63.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.52 -28.23 4.79 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.616 ' O ' ' C ' ' A' ' 12' ' ' HIS . 1.2 mt -85.11 -68.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.616 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER 20.66 73.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.592 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.567 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -121.72 -49.08 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.28 -24.03 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -78.54 -26.01 45.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.567 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.6 mttm -92.93 30.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -127.37 102.96 7.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.54 1.15 . . . . 0.0 110.982 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.588 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 1.1 m120 -124.57 23.31 8.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.62 ' O ' ' N ' ' A' ' 7' ' ' ILE . 1.4 mm? 79.27 17.6 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.41 ' HB2' ' NH1' ' A' ' 4' ' ' ARG . 18.6 mtm105 -47.86 -48.17 31.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.612 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 3.2 mtt-85 -64.82 -30.73 71.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.554 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.86 -43.61 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.62 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.3 mt -58.71 -55.01 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.531 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.56 -21.11 62.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.612 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.27 -63.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.39 -30.33 8.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.567 ' O ' ' C ' ' A' ' 12' ' ' HIS . 1.8 mt -83.45 -64.87 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.567 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER 25.62 73.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.593 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.545 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -118.77 -49.03 3.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.16 -19.68 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.18 -30.04 31.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.545 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.6 mttm -90.53 32.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -127.2 177.66 6.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.61 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 12.3 p30 -40.31 153.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.61 ' HB2' ' O ' ' A' ' 2' ' ' ASN . 1.4 mm? 79.31 17.65 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.3 mtm105 -47.74 -48.24 29.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.629 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 4.1 mtt180 -64.73 -30.95 71.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.56 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.61 -43.43 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' ' 3' ' ' LEU . 2.3 mt -58.82 -54.68 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.584 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -71.69 -19.91 62.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.629 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.23 -63.62 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.24 -30.84 8.13 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.569 ' CG2' ' CD1' ' A' ' 13' ' ' ILE . 2.0 mt -82.32 -64.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.584 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 1.0 OUTLIER 26.23 73.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.557 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.569 ' CD1' ' CG2' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.06 -49.15 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.02 -19.77 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.15 -30.0 31.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.553 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.5 mttm -90.59 32.9 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -127.27 -52.18 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 110.972 -179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.6 mttm . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.45 ' C ' ' N ' ' A' ' 4' ' ' ARG . 1.8 t30 -88.86 57.48 4.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.599 ' O ' HG13 ' A' ' 7' ' ' ILE . 3.2 mm? 47.81 20.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.45 ' N ' ' C ' ' A' ' 2' ' ' ASN . 5.5 mtp180 -48.02 -48.65 32.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.62 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 2.5 mtt180 -64.85 -30.78 71.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.54 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.51 -43.99 18.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.599 HG13 ' O ' ' A' ' 3' ' ' LEU . 2.6 mt -58.55 -54.29 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -71.29 -20.62 62.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.62 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -54.01 -63.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.24 -30.11 7.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.575 ' O ' ' C ' ' A' ' 12' ' ' HIS . 1.8 mt -83.42 -65.02 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.575 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER 25.57 73.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.596 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.542 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -118.63 -49.07 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.13 -19.7 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.24 -29.94 31.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -90.58 32.88 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -127.22 155.79 42.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.435 1.084 . . . . 0.0 111.011 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 1' ' ' LYS . 1.0 OUTLIER 81.2 34.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.684 ' O ' HG13 ' A' ' 7' ' ' ILE . 3.3 mm? -147.38 16.76 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -51.89 -49.64 62.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.604 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 6.4 mtt180 -62.22 -31.27 71.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.555 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -83.53 -43.69 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.684 HG13 ' O ' ' A' ' 3' ' ' LEU . 1.9 mt -58.36 -54.86 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.52 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.86 -21.12 62.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.604 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 1.7 mmtp -53.18 -63.21 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.5 -30.37 8.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.57 ' O ' ' C ' ' A' ' 12' ' ' HIS . 1.8 mt -83.33 -64.79 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.57 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER 25.64 73.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.614 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.557 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -118.79 -49.3 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.97 -19.69 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -29.78 31.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.557 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.1 mttm -90.36 32.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -127.4 164.7 21.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.536 1.148 . . . . 0.0 110.962 -179.926 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.454 ' O ' HD23 ' A' ' 3' ' ' LEU . 63.1 m-20 -99.16 45.55 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.689 ' O ' HG13 ' A' ' 7' ' ' ILE . 3.2 mm? -147.45 16.74 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -51.82 -49.63 62.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.613 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -62.06 -32.23 72.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.551 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -82.52 -44.15 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.689 HG13 ' O ' ' A' ' 3' ' ' LEU . 2.1 mt -58.29 -54.52 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.172 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.537 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -71.2 -21.08 62.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.613 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 2.7 mmtp -53.17 -63.11 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.52 -30.42 8.38 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.43 1.082 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.555 ' O ' ' C ' ' A' ' 12' ' ' HIS . 1.8 mt -83.27 -64.83 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.555 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER 25.75 73.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.604 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.535 ' CD1' ' CG2' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.72 -49.1 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.14 -19.66 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.27 -29.95 30.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.534 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.3 mttm -90.58 32.94 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -127.29 -54.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.565 1.166 . . . . 0.0 111.032 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.449 ' C ' ' H ' ' A' ' 4' ' ' ARG . 1.0 OUTLIER -61.17 -170.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.616 ' O ' ' N ' ' A' ' 7' ' ' ILE . 1.8 mm? -79.2 16.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.449 ' H ' ' C ' ' A' ' 2' ' ' ASN . 60.1 mtp180 -47.49 -48.03 27.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.608 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -64.61 -31.56 72.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 110.254 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.538 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.09 -43.94 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.616 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.48 -54.94 26.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.637 ' NE ' ' HE2' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -69.87 -22.18 63.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.608 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.45 -63.1 1.26 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.35 -30.05 7.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.551 1.157 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.574 ' O ' ' C ' ' A' ' 12' ' ' HIS . 1.7 mt -84.24 -65.43 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.637 ' HE2' ' NE ' ' A' ' 8' ' ' ARG . 0.6 OUTLIER 25.4 72.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.591 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.562 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -119.02 -50.73 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.1 -26.81 5.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.695 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -74.52 -26.83 60.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.562 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.0 OUTLIER -93.53 30.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -127.45 92.67 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.958 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 O-C-N 124.541 1.151 . . . . 0.0 110.997 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.674 HD13 HG13 ' A' ' 6' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -48.11 -48.77 33.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.62 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 3.5 mtm180 -64.62 -30.86 71.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.674 HG13 HD13 ' A' ' 3' ' ' LEU . 1.1 mm -83.4 -43.65 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.659 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.82 -54.67 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.642 ' HD2' ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -71.71 -19.89 61.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.62 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.24 -63.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.14 -30.89 7.95 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.993 HG22 ' CG1' ' A' ' 13' ' ' ILE . 2.1 mt -82.32 -64.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.642 ' CE1' ' HD2' ' A' ' 8' ' ' ARG . 0.2 OUTLIER 26.57 72.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.584 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.993 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.52 -50.18 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.47 -24.04 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -78.32 -26.43 46.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.525 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.5 mttm -92.8 31.11 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.608 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.6 mm? . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.0 mtt85 -48.05 -48.93 32.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.623 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -64.3 -31.72 73.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.559 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -82.5 -43.86 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.608 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.8 -54.46 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.644 ' HD2' ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -71.95 -19.83 61.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.623 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -53.27 -63.59 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.2 -30.84 8.04 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.56 1.163 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.98 HG22 ' CG1' ' A' ' 13' ' ' ILE . 2.1 mt -82.4 -64.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.763 . . . . 0.0 109.256 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.644 ' CE1' ' HD2' ' A' ' 8' ' ' ARG . 0.2 OUTLIER 26.5 72.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.591 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.98 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.54 -50.17 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.49 -24.01 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -78.42 -26.35 46.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.533 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.3 mttm -92.8 31.1 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.968 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.649 ' O ' ' N ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -47.66 -47.87 29.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.616 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 2.1 mtt85 -64.87 -30.79 71.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.551 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.91 -43.42 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.649 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.2 mt -58.73 -55.08 25.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.54 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -70.59 -21.02 62.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.616 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 2.2 mmtt -53.18 -63.47 1.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.21 -30.4 7.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.576 1.173 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.966 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.9 mt -83.37 -65.02 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.556 0.798 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.563 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER 26.25 72.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.573 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.966 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.1 -50.01 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.53 -24.07 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -78.32 -26.42 46.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.4 mttm -92.76 31.09 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.03 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.648 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.8 mm? . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 4' ' ' ARG . 14.2 mtp-105 -47.92 -48.94 31.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.623 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -64.63 -30.8 71.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.55 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.54 -43.76 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.648 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.69 -54.92 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -70.83 -20.97 62.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.265 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.623 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 1.0 OUTLIER -53.03 -63.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.33 -30.43 7.99 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.968 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.9 mt -83.19 -64.87 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 0.75 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.555 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER 26.18 72.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.576 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.968 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.28 -50.1 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.5 -24.06 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -78.34 -26.33 46.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.529 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.6 mttm -92.69 31.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.605 ' O ' ' N ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.3 mtp85 -47.6 -48.03 28.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.629 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -64.69 -30.93 71.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.58 HG13 HD13 ' A' ' 3' ' ' LEU . 1.1 mm -83.74 -43.25 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.605 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.2 mt -58.84 -54.84 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.639 ' HD2' ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -71.56 -19.92 62.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.629 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.21 -63.71 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.04 -30.93 7.76 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.979 HG22 ' CG1' ' A' ' 13' ' ' ILE . 2.0 mt -82.34 -64.25 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.639 ' CE1' ' HD2' ' A' ' 8' ' ' ARG . 0.2 OUTLIER 26.53 72.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.613 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.979 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.48 -50.17 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.47 -23.96 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -78.39 -26.41 46.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.536 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.3 mttm -92.74 31.07 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.643 ' O ' ' N ' ' A' ' 7' ' ' ILE . 2.1 mm? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -47.73 -47.81 30.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.622 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -64.93 -30.73 71.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.53 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.96 -43.7 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.643 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.3 mt -58.5 -54.91 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.527 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.32 -21.93 62.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.247 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.622 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -52.98 -63.22 1.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.16 -30.5 7.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.946 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.42 -65.05 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.57 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER 25.9 72.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.608 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.946 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.08 -50.08 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.53 -24.05 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -78.4 -26.22 46.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.54 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.7 mttm -92.78 30.97 1.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.682 ' O ' HG13 ' A' ' 7' ' ' ILE . 3.2 mm? . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -51.77 -49.75 62.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.62 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -61.85 -32.35 72.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.266 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.552 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -82.47 -43.72 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.682 HG13 ' O ' ' A' ' 3' ' ' LEU . 1.9 mt -58.54 -54.43 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.642 ' HD2' ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -72.0 -20.12 61.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.62 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.03 -63.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.24 -30.85 8.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.981 HG22 ' CG1' ' A' ' 13' ' ' ILE . 2.1 mt -82.42 -64.25 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 0.744 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.642 ' CE1' ' HD2' ' A' ' 8' ' ' ARG . 0.2 OUTLIER 26.37 72.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.609 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.981 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.42 -50.08 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.52 -24.01 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -78.36 -26.41 46.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.523 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.8 mttm -92.79 31.11 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.654 ' O ' ' N ' ' A' ' 7' ' ' ILE . 2.3 mm? . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -48.05 -48.75 33.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.262 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.626 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 5.3 mtt-85 -64.76 -30.62 71.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.598 HG13 HD13 ' A' ' 3' ' ' LEU . 1.1 mm -83.72 -43.78 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.654 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.6 -55.01 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.525 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.5 -21.25 62.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.626 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.28 -63.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.42 -30.34 8.09 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.94 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.43 -64.92 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.562 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER 25.72 73.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.571 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.94 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.72 -49.1 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.09 -19.72 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.2 -30.02 31.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.519 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.2 mttm -90.5 32.89 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.649 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.8 mm? . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -48.02 -48.69 32.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.624 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 5.9 mtt180 -64.84 -30.63 71.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.255 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.537 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.68 -43.9 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.649 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.47 -55.0 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.537 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.45 -21.33 62.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.624 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -53.29 -63.24 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.4 -30.26 7.99 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.926 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.6 -64.91 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.571 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER 25.7 73.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.593 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.926 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.7 -49.12 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.12 -19.67 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.407 ' CE ' ' ND1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -82.2 -30.02 31.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.0 OUTLIER -90.58 32.93 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.632 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.7 mm? . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.403 ' HB2' ' NH1' ' A' ' 4' ' ' ARG . 19.2 mtm105 -47.94 -48.79 31.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.607 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 2.4 mtm180 -64.81 -30.49 71.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.542 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.82 -44.03 18.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.632 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.5 mt -58.41 -55.04 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.559 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -69.76 -22.2 63.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.607 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 2.0 mmtt -53.4 -62.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.39 -30.19 7.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.904 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.7 mt -84.05 -65.27 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.576 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER 24.95 74.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.62 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.904 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.57 -49.13 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.16 -19.67 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.25 -30.0 30.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.532 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.7 mttm -90.51 32.85 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.628 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.7 mm? . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -48.2 -48.64 34.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.606 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 13.7 mtt180 -64.91 -30.48 71.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.515 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.85 -44.06 18.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.628 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.5 mt -58.39 -54.99 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.555 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -69.83 -22.19 63.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.606 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 1.8 mmtp -53.32 -63.0 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.4 -30.22 7.95 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.885 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.6 mt -83.94 -65.18 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.782 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.583 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER 24.68 74.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.617 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.885 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.68 -49.2 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.12 -19.72 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.12 -30.04 31.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.523 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 0.9 OUTLIER -90.53 32.84 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.604 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.7 mm? . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -47.89 -48.88 31.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.618 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 2.4 ptt180 -64.46 -31.53 72.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.552 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -82.68 -44.1 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.604 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.5 mt -58.58 -54.76 28.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.531 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -70.85 -21.14 62.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.618 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.23 -63.25 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.43 -30.39 8.15 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.939 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.33 -64.77 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.575 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER 25.58 74.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.589 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.939 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.75 -49.33 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.99 -19.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.19 -29.85 31.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.527 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 6.6 mttt -90.29 32.58 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.663 HD13 HG13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -48.03 -48.71 32.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.626 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -64.85 -30.59 71.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.663 HG13 HD13 ' A' ' 3' ' ' LEU . 1.1 mm -83.67 -43.61 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.624 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.87 -54.93 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.527 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.81 -20.53 62.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.313 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.626 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -53.43 -64.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.7 -30.06 4.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.9 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.7 mt -84.16 -67.02 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.53 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER 29.65 65.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.596 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.9 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.82 -47.58 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.6 -24.08 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -78.92 -25.75 43.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.549 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.0 mttm -93.44 31.46 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.597 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.0 mm? . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.423 ' NH1' ' HB3' ' A' ' 4' ' ' ARG . 11.7 mtp-105 -47.59 -48.01 28.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.602 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -64.9 -30.36 71.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 110.315 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.518 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -84.33 -43.28 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.597 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.2 mt -58.88 -55.48 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.591 ' HD3' ' CD2' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -69.24 -20.42 63.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.602 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -56.07 -63.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.52 -28.23 4.79 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.659 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.2 mt -85.11 -68.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.616 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER 20.66 73.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.592 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.659 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -121.72 -49.08 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.28 -24.03 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -78.54 -26.01 45.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.547 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.6 mttm -92.93 30.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.984 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.62 ' O ' ' N ' ' A' ' 7' ' ' ILE . 1.4 mm? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.411 ' HB2' ' NH1' ' A' ' 4' ' ' ARG . 18.6 mtm105 -47.86 -48.17 31.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.612 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 3.2 mtt-85 -64.82 -30.73 71.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.556 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.86 -43.61 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.62 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.3 mt -58.71 -55.01 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.531 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.56 -21.11 62.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.612 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.27 -63.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.39 -30.33 8.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.937 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.45 -64.87 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.567 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER 25.62 73.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.593 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.937 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.77 -49.03 3.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.16 -19.68 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.413 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.18 -30.04 31.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.523 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.6 mttm -90.53 32.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.976 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.586 ' O ' HG13 ' A' ' 7' ' ' ILE . 1.4 mm? . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.3 mtm105 -47.74 -48.24 29.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.629 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 4.1 mtt180 -64.73 -30.95 71.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.562 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.61 -43.43 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' ' 3' ' ' LEU . 2.3 mt -58.82 -54.68 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.644 ' HD2' ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -71.69 -19.91 62.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.629 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.23 -63.62 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.24 -30.84 8.13 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.966 HG22 ' CG1' ' A' ' 13' ' ' ILE . 2.0 mt -82.32 -64.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.644 ' CE1' ' HD2' ' A' ' 8' ' ' ARG . 0.2 OUTLIER 26.23 73.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.557 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.966 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.06 -49.15 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.02 -19.77 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.15 -30.0 31.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.535 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.5 mttm -90.59 32.9 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.599 ' O ' HG13 ' A' ' 7' ' ' ILE . 3.2 mm? . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -48.02 -48.65 32.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.62 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 2.5 mtt180 -64.85 -30.78 71.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.535 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.51 -43.99 18.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.599 HG13 ' O ' ' A' ' 3' ' ' LEU . 2.6 mt -58.55 -54.29 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -71.29 -20.62 62.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.62 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -54.01 -63.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.24 -30.11 7.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.931 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.42 -65.02 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.575 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER 25.57 73.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.596 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.931 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.63 -49.07 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.13 -19.7 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.24 -29.94 31.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.532 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -90.58 32.88 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.684 ' O ' HG13 ' A' ' 7' ' ' ILE . 3.3 mm? . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -51.89 -49.64 62.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.604 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 6.4 mtt180 -62.22 -31.27 71.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.547 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -83.53 -43.69 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.684 HG13 ' O ' ' A' ' 3' ' ' LEU . 1.9 mt -58.36 -54.86 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.52 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.86 -21.12 62.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.604 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 1.7 mmtp -53.18 -63.21 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.5 -30.37 8.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.933 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.33 -64.79 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.57 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER 25.64 73.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.614 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.933 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.79 -49.3 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.97 -19.69 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -29.78 31.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.535 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.1 mttm -90.36 32.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.69 ' O ' HG13 ' A' ' 7' ' ' ILE . 3.2 mm? . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -51.82 -49.63 62.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.613 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -62.06 -32.23 72.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.545 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -82.52 -44.15 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.69 HG13 ' O ' ' A' ' 3' ' ' LEU . 2.1 mt -58.29 -54.52 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.172 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.537 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -71.2 -21.08 62.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.613 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 2.7 mmtp -53.17 -63.11 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.52 -30.42 8.38 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.43 1.082 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.932 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.27 -64.83 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.555 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER 25.75 73.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.604 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.932 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.72 -49.1 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.14 -19.66 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.27 -29.95 30.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.51 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.3 mttm -90.58 32.94 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 111.006 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.616 ' O ' ' N ' ' A' ' 7' ' ' ILE . 1.8 mm? . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -47.49 -48.03 27.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.608 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -64.61 -31.56 72.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 110.254 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.537 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.09 -43.94 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.616 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.48 -54.94 26.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -69.87 -22.18 63.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.608 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.45 -63.1 1.26 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.35 -30.05 7.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.551 1.157 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.936 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.7 mt -84.24 -65.43 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.574 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER 25.4 72.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.591 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.936 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.02 -50.73 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.1 -26.81 5.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.695 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -74.52 -26.83 60.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.54 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.0 OUTLIER -93.53 30.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.958 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.416 ' N ' ' HD3' ' A' ' 4' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.441 ' C ' ' N ' ' A' ' 4' ' ' ARG . 29.1 t30 -115.3 159.12 21.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.674 HD13 HG13 ' A' ' 6' ' ' ILE . 0.6 OUTLIER 47.83 20.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.441 ' N ' ' C ' ' A' ' 2' ' ' ASN . 57.0 mtm180 -48.11 -48.77 33.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.62 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 3.5 mtm180 -64.62 -30.86 71.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.674 HG13 HD13 ' A' ' 3' ' ' LEU . 1.1 mm -83.4 -43.65 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.659 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.82 -54.67 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.642 ' HD2' ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -71.71 -19.89 61.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.62 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.24 -63.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.14 -30.89 7.95 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.993 HG22 ' CG1' ' A' ' 13' ' ' ILE . 2.1 mt -82.32 -64.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.642 ' CE1' ' HD2' ' A' ' 8' ' ' ARG . 0.2 OUTLIER 26.57 72.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.584 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.993 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.52 -50.18 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.47 -24.04 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -78.32 -26.43 46.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.525 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.5 mttm -92.8 31.11 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -127.24 162.58 25.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.093 . . . . 0.0 111.025 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.443 ' C ' ' N ' ' A' ' 4' ' ' ARG . 3.1 t-20 -62.15 -156.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.608 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.6 mm? 47.86 20.59 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.443 ' N ' ' C ' ' A' ' 2' ' ' ASN . 9.0 mtt85 -48.05 -48.93 32.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.623 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -64.3 -31.72 73.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.559 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -82.5 -43.86 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.608 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.8 -54.46 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.644 ' HD2' ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -71.95 -19.83 61.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.623 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -53.27 -63.59 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.2 -30.84 8.04 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.56 1.163 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.98 HG22 ' CG1' ' A' ' 13' ' ' ILE . 2.1 mt -82.4 -64.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.763 . . . . 0.0 109.256 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.644 ' CE1' ' HD2' ' A' ' 8' ' ' ARG . 0.2 OUTLIER 26.5 72.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.591 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.98 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.54 -50.17 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.49 -24.01 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -78.42 -26.35 46.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.533 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.3 mttm -92.8 31.1 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -127.29 149.72 49.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.451 ' C ' ' H ' ' A' ' 4' ' ' ARG . 87.8 m-20 -85.25 8.1 19.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.649 ' O ' ' N ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -79.25 16.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.451 ' H ' ' C ' ' A' ' 2' ' ' ASN . 2.6 mtt85 -47.66 -47.87 29.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.616 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 2.1 mtt85 -64.87 -30.79 71.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.551 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.91 -43.42 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.649 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.2 mt -58.73 -55.08 25.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.54 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -70.59 -21.02 62.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.616 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 2.2 mmtt -53.18 -63.47 1.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.21 -30.4 7.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.576 1.173 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.966 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.9 mt -83.37 -65.02 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.556 0.798 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.563 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER 26.25 72.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.573 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.966 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.1 -50.01 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.53 -24.07 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -78.32 -26.42 46.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.4 mttm -92.76 31.09 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -127.23 140.58 52.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 4' ' ' ARG . 14.3 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.482 ' CB ' ' HG3' ' A' ' 4' ' ' ARG . 3.9 m-20 65.67 9.84 6.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.648 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.8 mm? 47.32 20.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.482 ' HG3' ' CB ' ' A' ' 2' ' ' ASN . 14.2 mtp-105 -47.92 -48.94 31.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.623 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -64.63 -30.8 71.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.55 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.54 -43.76 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.648 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.69 -54.92 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -70.83 -20.97 62.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.265 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.623 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 1.0 OUTLIER -53.03 -63.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.33 -30.43 7.99 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.968 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.9 mt -83.19 -64.87 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 0.75 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.555 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER 26.18 72.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.576 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.968 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.28 -50.1 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.5 -24.06 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -78.34 -26.33 46.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.529 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.6 mttm -92.69 31.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -127.27 141.7 51.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.0 tptt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.441 ' C ' ' H ' ' A' ' 4' ' ' ARG . 20.2 m-20 46.98 73.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.605 ' O ' ' N ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -79.21 16.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.441 ' H ' ' C ' ' A' ' 2' ' ' ASN . 38.3 mtp85 -47.6 -48.03 28.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.629 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -64.69 -30.93 71.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.58 HG13 HD13 ' A' ' 3' ' ' LEU . 1.1 mm -83.74 -43.25 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.605 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.2 mt -58.84 -54.84 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.639 ' HD2' ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -71.56 -19.92 62.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.629 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.21 -63.71 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.04 -30.93 7.76 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.979 HG22 ' CG1' ' A' ' 13' ' ' ILE . 2.0 mt -82.34 -64.25 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.639 ' CE1' ' HD2' ' A' ' 8' ' ' ARG . 0.2 OUTLIER 26.53 72.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.613 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.979 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.48 -50.17 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.47 -23.96 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -78.39 -26.41 46.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.536 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.3 mttm -92.74 31.07 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -127.23 93.13 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.115 . . . . 0.0 110.955 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.6 mttp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.44 ' C ' ' H ' ' A' ' 4' ' ' ARG . 3.2 t30 -110.73 -31.92 7.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.643 ' O ' ' N ' ' A' ' 7' ' ' ILE . 2.1 mm? -79.23 16.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.44 ' H ' ' C ' ' A' ' 2' ' ' ASN . 2.1 mtt180 -47.73 -47.81 30.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.622 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -64.93 -30.73 71.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.53 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.96 -43.7 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.643 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.3 mt -58.5 -54.91 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.527 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.32 -21.93 62.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.247 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.622 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -52.98 -63.22 1.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.16 -30.5 7.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.946 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.42 -65.05 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.57 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER 25.9 72.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.608 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.946 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.08 -50.08 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.53 -24.05 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -78.4 -26.22 46.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.54 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.7 mttm -92.78 30.97 1.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -127.23 151.89 48.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.5 mptt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.865 ' C ' HD22 ' A' ' 3' ' ' LEU . 4.3 t-20 -82.35 58.06 3.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.865 HD22 ' C ' ' A' ' 2' ' ' ASN . 3.2 mm? -147.48 16.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -51.77 -49.75 62.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.62 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -61.85 -32.35 72.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.266 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.552 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -82.47 -43.72 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.682 HG13 ' O ' ' A' ' 3' ' ' LEU . 1.9 mt -58.54 -54.43 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.642 ' HD2' ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -72.0 -20.12 61.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.62 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.03 -63.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.24 -30.85 8.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.981 HG22 ' CG1' ' A' ' 13' ' ' ILE . 2.1 mt -82.42 -64.25 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 0.744 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.642 ' CE1' ' HD2' ' A' ' 8' ' ' ARG . 0.2 OUTLIER 26.37 72.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.609 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.981 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.42 -50.08 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.52 -24.01 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -78.36 -26.41 46.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.523 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.8 mttm -92.79 31.11 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -127.2 177.54 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.0 mttp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.463 ' C ' ' N ' ' A' ' 4' ' ' ARG . 0.7 OUTLIER -116.74 174.09 6.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.654 ' O ' ' N ' ' A' ' 7' ' ' ILE . 2.3 mm? 47.82 20.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.097 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.463 ' N ' ' C ' ' A' ' 2' ' ' ASN . 72.7 mtm180 -48.05 -48.75 33.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.262 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.626 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 5.3 mtt-85 -64.76 -30.62 71.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.598 HG13 HD13 ' A' ' 3' ' ' LEU . 1.1 mm -83.72 -43.78 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.654 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.6 -55.01 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.525 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.5 -21.25 62.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.626 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.28 -63.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.42 -30.34 8.09 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.94 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.43 -64.92 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.562 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER 25.72 73.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.571 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.94 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.72 -49.1 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.09 -19.72 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.2 -30.02 31.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.519 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.2 mttm -90.5 32.89 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -127.26 97.96 5.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.546 ' O ' HD22 ' A' ' 3' ' ' LEU . 75.4 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.446 ' C ' ' N ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER 72.14 -73.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.649 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.8 mm? 47.84 20.61 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.446 ' N ' ' C ' ' A' ' 2' ' ' ASN . 71.1 mtm180 -48.02 -48.69 32.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.624 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 5.9 mtt180 -64.84 -30.63 71.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.255 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.537 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.68 -43.9 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.649 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.47 -55.0 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.537 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.45 -21.33 62.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.624 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -53.29 -63.24 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.4 -30.26 7.99 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.926 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.6 -64.91 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.571 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER 25.7 73.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.593 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.926 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.7 -49.12 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.12 -19.67 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.407 ' CE ' ' ND1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -82.2 -30.02 31.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.0 OUTLIER -90.58 32.93 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -127.29 -177.21 3.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.445 ' C ' ' N ' ' A' ' 4' ' ' ARG . 9.9 t30 -148.18 44.5 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.632 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.7 mm? 47.9 20.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.445 ' N ' ' C ' ' A' ' 2' ' ' ASN . 19.2 mtm105 -47.94 -48.79 31.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.607 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 2.4 mtm180 -64.81 -30.49 71.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.542 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.82 -44.03 18.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.632 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.5 mt -58.41 -55.04 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.559 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -69.76 -22.2 63.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.607 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 2.0 mmtt -53.4 -62.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.39 -30.19 7.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.904 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.7 mt -84.05 -65.27 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.576 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER 24.95 74.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.62 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.904 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.57 -49.13 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.16 -19.67 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.25 -30.0 30.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.532 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.7 mttm -90.51 32.85 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -127.2 -46.12 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.558 1.161 . . . . 0.0 111.014 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.449 ' C ' ' N ' ' A' ' 4' ' ' ARG . 66.4 m-20 -167.71 52.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.628 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.7 mm? 47.86 20.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.449 ' N ' ' C ' ' A' ' 2' ' ' ASN . 72.6 mtp180 -48.2 -48.64 34.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.606 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 13.7 mtt180 -64.91 -30.48 71.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.515 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.85 -44.06 18.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.628 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.5 mt -58.39 -54.99 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.555 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -69.83 -22.19 63.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.606 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 1.8 mmtp -53.32 -63.0 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.4 -30.22 7.95 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.885 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.6 mt -83.94 -65.18 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.782 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.583 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER 24.68 74.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.617 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.885 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.68 -49.2 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.12 -19.72 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.12 -30.04 31.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.523 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 0.9 OUTLIER -90.53 32.84 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -127.22 -178.38 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.484 ' O ' ' CG ' ' A' ' 4' ' ' ARG . 5.1 pttp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.44 ' C ' ' N ' ' A' ' 4' ' ' ARG . 7.3 m-20 -95.3 -173.75 3.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.604 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.7 mm? 47.87 20.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' A' ' 1' ' ' LYS . 5.9 mtm180 -47.89 -48.88 31.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.618 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 2.4 ptt180 -64.46 -31.53 72.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.552 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -82.68 -44.1 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.604 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.5 mt -58.58 -54.76 28.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.531 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -70.85 -21.14 62.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.618 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.23 -63.25 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.43 -30.39 8.15 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.939 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.33 -64.77 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.575 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER 25.58 74.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.589 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.939 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.75 -49.33 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.99 -19.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.19 -29.85 31.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.527 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 6.6 mttt -90.29 32.58 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -127.37 165.02 20.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.461 ' C ' ' N ' ' A' ' 4' ' ' ARG . 2.0 m-20 -54.18 -75.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.663 HD13 HG13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER 47.82 20.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.461 ' N ' ' C ' ' A' ' 2' ' ' ASN . 10.3 mtp180 -48.03 -48.71 32.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.626 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -64.85 -30.59 71.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.663 HG13 HD13 ' A' ' 3' ' ' LEU . 1.1 mm -83.67 -43.61 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.624 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.87 -54.93 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.527 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.81 -20.53 62.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.313 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.626 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -53.43 -64.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.7 -30.06 4.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.9 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.7 mt -84.16 -67.02 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.53 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER 29.65 65.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.596 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.9 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.82 -47.58 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.6 -24.08 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -78.92 -25.75 43.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.549 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.0 mttm -93.44 31.46 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -127.19 -53.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.552 1.158 . . . . 0.0 111.015 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.464 ' HB3' ' CD ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.458 ' C ' ' H ' ' A' ' 4' ' ' ARG . 18.6 m-80 -113.85 -35.77 5.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.597 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.0 mm? -79.23 16.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.464 ' CD ' ' HB3' ' A' ' 1' ' ' LYS . 11.7 mtp-105 -47.59 -48.01 28.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.602 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -64.9 -30.36 71.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 110.315 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.518 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -84.33 -43.28 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.597 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.2 mt -58.88 -55.48 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.591 ' HD3' ' CD2' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -69.24 -20.42 63.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.602 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -56.07 -63.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.52 -28.23 4.79 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.659 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.2 mt -85.11 -68.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.616 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER 20.66 73.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.592 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.659 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -121.72 -49.08 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.28 -24.03 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -78.54 -26.01 45.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.547 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.6 mttm -92.93 30.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -127.37 102.96 7.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.54 1.15 . . . . 0.0 110.982 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.588 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 1.1 m120 -124.57 23.31 8.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.62 ' O ' ' N ' ' A' ' 7' ' ' ILE . 1.4 mm? 79.27 17.6 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.411 ' HB2' ' NH1' ' A' ' 4' ' ' ARG . 18.6 mtm105 -47.86 -48.17 31.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.612 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 3.2 mtt-85 -64.82 -30.73 71.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.556 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.86 -43.61 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.62 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.3 mt -58.71 -55.01 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.531 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.56 -21.11 62.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.612 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.27 -63.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.39 -30.33 8.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.937 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.45 -64.87 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.567 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER 25.62 73.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.593 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.937 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.77 -49.03 3.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.16 -19.68 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.18 -30.04 31.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.523 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.6 mttm -90.53 32.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -127.2 177.66 6.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.61 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 12.3 p30 -40.31 153.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.61 ' HB2' ' O ' ' A' ' 2' ' ' ASN . 1.4 mm? 79.31 17.65 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.3 mtm105 -47.74 -48.24 29.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.629 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 4.1 mtt180 -64.73 -30.95 71.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.562 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.61 -43.43 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' ' 3' ' ' LEU . 2.3 mt -58.82 -54.68 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.644 ' HD2' ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -71.69 -19.91 62.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.629 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.23 -63.62 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.24 -30.84 8.13 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.966 HG22 ' CG1' ' A' ' 13' ' ' ILE . 2.0 mt -82.32 -64.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.644 ' CE1' ' HD2' ' A' ' 8' ' ' ARG . 0.2 OUTLIER 26.23 73.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.557 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.966 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.06 -49.15 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.02 -19.77 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.15 -30.0 31.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.535 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.5 mttm -90.59 32.9 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -127.27 -52.18 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 110.972 -179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.6 mttm . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.45 ' C ' ' N ' ' A' ' 4' ' ' ARG . 1.8 t30 -88.86 57.48 4.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.599 ' O ' HG13 ' A' ' 7' ' ' ILE . 3.2 mm? 47.81 20.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.45 ' N ' ' C ' ' A' ' 2' ' ' ASN . 5.5 mtp180 -48.02 -48.65 32.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.62 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 2.5 mtt180 -64.85 -30.78 71.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.535 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.51 -43.99 18.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.599 HG13 ' O ' ' A' ' 3' ' ' LEU . 2.6 mt -58.55 -54.29 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -71.29 -20.62 62.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.62 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -54.01 -63.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.24 -30.11 7.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.931 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.42 -65.02 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.575 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER 25.57 73.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.596 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.931 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.63 -49.07 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.13 -19.7 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.24 -29.94 31.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.532 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -90.58 32.88 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -127.22 155.79 42.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.435 1.084 . . . . 0.0 111.011 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.869 ' C ' HD22 ' A' ' 3' ' ' LEU . 1.0 OUTLIER 81.2 34.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.869 HD22 ' C ' ' A' ' 2' ' ' ASN . 3.3 mm? -147.38 16.76 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -51.89 -49.64 62.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.604 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 6.4 mtt180 -62.22 -31.27 71.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.547 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -83.53 -43.69 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.684 HG13 ' O ' ' A' ' 3' ' ' LEU . 1.9 mt -58.36 -54.86 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.52 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.86 -21.12 62.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.604 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 1.7 mmtp -53.18 -63.21 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.5 -30.37 8.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.933 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.33 -64.79 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.57 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER 25.64 73.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.614 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.933 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.79 -49.3 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.97 -19.69 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -29.78 31.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.535 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.1 mttm -90.36 32.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -127.4 164.7 21.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.536 1.148 . . . . 0.0 110.962 -179.926 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.884 ' O ' HD22 ' A' ' 3' ' ' LEU . 63.1 m-20 -99.16 45.55 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.884 HD22 ' O ' ' A' ' 2' ' ' ASN . 3.2 mm? -147.45 16.74 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -51.82 -49.63 62.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.613 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -62.06 -32.23 72.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.545 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -82.52 -44.15 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.69 HG13 ' O ' ' A' ' 3' ' ' LEU . 2.1 mt -58.29 -54.52 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.172 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.537 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -71.2 -21.08 62.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.613 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 2.7 mmtp -53.17 -63.11 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.52 -30.42 8.38 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.43 1.082 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.932 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.27 -64.83 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.555 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER 25.75 73.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.604 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.932 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.72 -49.1 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.14 -19.66 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.27 -29.95 30.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.51 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.3 mttm -90.58 32.94 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -127.29 -54.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.565 1.166 . . . . 0.0 111.032 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.455 ' C ' ' H ' ' A' ' 4' ' ' ARG . 1.0 OUTLIER -61.17 -170.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.616 ' O ' ' N ' ' A' ' 7' ' ' ILE . 1.8 mm? -79.2 16.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.455 ' H ' ' C ' ' A' ' 2' ' ' ASN . 60.1 mtp180 -47.49 -48.03 27.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.608 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -64.61 -31.56 72.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 110.254 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.537 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.09 -43.94 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.616 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.48 -54.94 26.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -69.87 -22.18 63.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.608 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.45 -63.1 1.26 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.35 -30.05 7.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.551 1.157 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.936 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.7 mt -84.24 -65.43 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.574 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER 25.4 72.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.591 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.936 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.02 -50.73 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.1 -26.81 5.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.695 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -74.52 -26.83 60.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.54 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.0 OUTLIER -93.53 30.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -127.45 92.67 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.958 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 O-C-N 124.541 1.151 . . . . 0.0 110.997 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.674 HD13 HG13 ' A' ' 6' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -48.11 -48.77 33.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.62 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 3.5 mtm180 -64.62 -30.86 71.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.674 HG13 HD13 ' A' ' 3' ' ' LEU . 1.1 mm -83.4 -43.65 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.659 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.82 -54.67 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.589 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -71.71 -19.89 61.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.62 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.24 -63.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.14 -30.89 7.95 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.993 HG22 ' CG1' ' A' ' 13' ' ' ILE . 2.1 mt -82.32 -64.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.589 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 1.1 m170 26.57 72.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.993 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.52 -50.18 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.47 -24.04 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -78.32 -26.43 46.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.525 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.5 mttm -92.8 31.11 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.608 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.6 mm? . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.0 mtt85 -48.05 -48.93 32.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.623 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -64.3 -31.72 73.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.559 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -82.5 -43.86 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.608 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.8 -54.46 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.58 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -71.95 -19.83 61.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.623 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -53.27 -63.59 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.2 -30.84 8.04 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.56 1.163 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.98 HG22 ' CG1' ' A' ' 13' ' ' ILE . 2.1 mt -82.4 -64.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.763 . . . . 0.0 109.256 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.58 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 1.1 m170 26.5 72.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.591 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.98 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.54 -50.17 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.49 -24.01 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -78.42 -26.35 46.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.533 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.3 mttm -92.8 31.1 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.968 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.649 ' O ' ' N ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -47.66 -47.87 29.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.616 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 2.1 mtt85 -64.87 -30.79 71.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.551 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.91 -43.42 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.649 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.2 mt -58.73 -55.08 25.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.54 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -70.59 -21.02 62.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.616 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 2.2 mmtt -53.18 -63.47 1.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.21 -30.4 7.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.576 1.173 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.966 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.9 mt -83.37 -65.02 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.556 0.798 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.563 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER 26.25 72.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.573 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.966 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.1 -50.01 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.53 -24.07 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -78.32 -26.42 46.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.4 mttm -92.76 31.09 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.03 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.648 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.8 mm? . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 4' ' ' ARG . 14.2 mtp-105 -47.92 -48.94 31.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.623 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -64.63 -30.8 71.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.55 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.54 -43.76 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.648 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.69 -54.92 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -70.83 -20.97 62.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.265 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.623 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 1.0 OUTLIER -53.03 -63.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.33 -30.43 7.99 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.968 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.9 mt -83.19 -64.87 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 0.75 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.555 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER 26.18 72.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.576 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.968 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.28 -50.1 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.5 -24.06 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -78.34 -26.33 46.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.529 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.6 mttm -92.69 31.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.605 ' O ' ' N ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.3 mtp85 -47.6 -48.03 28.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.629 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -64.69 -30.93 71.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.58 HG13 HD13 ' A' ' 3' ' ' LEU . 1.1 mm -83.74 -43.25 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.605 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.2 mt -58.84 -54.84 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.58 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -71.56 -19.92 62.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.629 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.21 -63.71 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.04 -30.93 7.76 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.979 HG22 ' CG1' ' A' ' 13' ' ' ILE . 2.0 mt -82.34 -64.25 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.58 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 1.1 m170 26.53 72.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.613 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.979 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.48 -50.17 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.47 -23.96 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -78.39 -26.41 46.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.536 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.3 mttm -92.74 31.07 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.643 ' O ' ' N ' ' A' ' 7' ' ' ILE . 2.1 mm? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -47.73 -47.81 30.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.622 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -64.93 -30.73 71.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.53 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.96 -43.7 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.643 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.3 mt -58.5 -54.91 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.587 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -70.32 -21.93 62.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.247 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.622 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -52.98 -63.22 1.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.16 -30.5 7.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.946 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.42 -65.05 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.587 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 0.9 OUTLIER 25.9 72.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.608 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.946 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.08 -50.08 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.53 -24.05 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -78.4 -26.22 46.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.54 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.7 mttm -92.78 30.97 1.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.682 ' O ' HG13 ' A' ' 7' ' ' ILE . 3.2 mm? . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -51.77 -49.75 62.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.62 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -61.85 -32.35 72.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.266 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.552 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -82.47 -43.72 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.682 HG13 ' O ' ' A' ' 3' ' ' LEU . 1.9 mt -58.54 -54.43 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.583 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -72.0 -20.12 61.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.62 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.03 -63.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.24 -30.85 8.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.981 HG22 ' CG1' ' A' ' 13' ' ' ILE . 2.1 mt -82.42 -64.25 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 0.744 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.583 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 1.1 m170 26.37 72.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.609 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.981 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.42 -50.08 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.52 -24.01 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -78.36 -26.41 46.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.523 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.8 mttm -92.79 31.11 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.654 ' O ' ' N ' ' A' ' 7' ' ' ILE . 2.3 mm? . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -48.05 -48.75 33.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.262 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.626 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 5.3 mtt-85 -64.76 -30.62 71.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.598 HG13 HD13 ' A' ' 3' ' ' LEU . 1.1 mm -83.72 -43.78 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.654 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.6 -55.01 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.525 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.5 -21.25 62.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.626 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.28 -63.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.42 -30.34 8.09 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.94 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.43 -64.92 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.562 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER 25.72 73.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.571 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.94 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.72 -49.1 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.09 -19.72 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.2 -30.02 31.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.519 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.2 mttm -90.5 32.89 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.649 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.8 mm? . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -48.02 -48.69 32.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.624 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 5.9 mtt180 -64.84 -30.63 71.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.255 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.537 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.68 -43.9 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.649 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.47 -55.0 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.537 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.45 -21.33 62.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.624 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -53.29 -63.24 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.4 -30.26 7.99 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.926 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.6 -64.91 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.571 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER 25.7 73.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.593 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.926 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.7 -49.12 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.12 -19.67 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.407 ' CE ' ' ND1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -82.2 -30.02 31.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.0 OUTLIER -90.58 32.93 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.632 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.7 mm? . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.403 ' HB2' ' NH1' ' A' ' 4' ' ' ARG . 19.2 mtm105 -47.94 -48.79 31.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.607 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 2.4 mtm180 -64.81 -30.49 71.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.542 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.82 -44.03 18.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.632 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.5 mt -58.41 -55.04 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.559 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -69.76 -22.2 63.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.607 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 2.0 mmtt -53.4 -62.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.39 -30.19 7.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.904 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.7 mt -84.05 -65.27 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.576 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER 24.95 74.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.62 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.904 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.57 -49.13 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.16 -19.67 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.25 -30.0 30.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.532 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.7 mttm -90.51 32.85 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.628 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.7 mm? . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -48.2 -48.64 34.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.606 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 13.7 mtt180 -64.91 -30.48 71.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.515 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.85 -44.06 18.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.628 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.5 mt -58.39 -54.99 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.555 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -69.83 -22.19 63.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.606 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 1.8 mmtp -53.32 -63.0 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.4 -30.22 7.95 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.885 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.6 mt -83.94 -65.18 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.782 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.583 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER 24.68 74.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.617 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.885 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.68 -49.2 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.12 -19.72 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.12 -30.04 31.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.523 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 0.9 OUTLIER -90.53 32.84 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.604 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.7 mm? . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -47.89 -48.88 31.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.618 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 2.4 ptt180 -64.46 -31.53 72.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.552 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -82.68 -44.1 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.604 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.5 mt -58.58 -54.76 28.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.531 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -70.85 -21.14 62.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.618 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.23 -63.25 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.43 -30.39 8.15 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.939 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.33 -64.77 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.575 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER 25.58 74.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.589 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.939 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.75 -49.33 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.99 -19.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.19 -29.85 31.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.527 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 6.6 mttt -90.29 32.58 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.663 HD13 HG13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -48.03 -48.71 32.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.626 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -64.85 -30.59 71.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.663 HG13 HD13 ' A' ' 3' ' ' LEU . 1.1 mm -83.67 -43.61 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.624 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.87 -54.93 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.527 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.81 -20.53 62.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.313 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.626 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -53.43 -64.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.7 -30.06 4.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.9 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.7 mt -84.16 -67.02 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.53 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER 29.65 65.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.596 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.9 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.82 -47.58 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.6 -24.08 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -78.92 -25.75 43.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.549 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.0 mttm -93.44 31.46 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.597 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.0 mm? . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.423 ' NH1' ' HB3' ' A' ' 4' ' ' ARG . 11.7 mtp-105 -47.59 -48.01 28.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.602 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -64.9 -30.36 71.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 110.315 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.518 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -84.33 -43.28 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.597 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.2 mt -58.88 -55.48 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.591 ' HD3' ' CD2' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -69.24 -20.42 63.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.602 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -56.07 -63.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.52 -28.23 4.79 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.659 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.2 mt -85.11 -68.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.616 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER 20.66 73.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.592 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.659 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -121.72 -49.08 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.28 -24.03 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -78.54 -26.01 45.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.547 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.6 mttm -92.93 30.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.984 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.62 ' O ' ' N ' ' A' ' 7' ' ' ILE . 1.4 mm? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.411 ' HB2' ' NH1' ' A' ' 4' ' ' ARG . 18.6 mtm105 -47.86 -48.17 31.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.612 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 3.2 mtt-85 -64.82 -30.73 71.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.556 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.86 -43.61 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.62 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.3 mt -58.71 -55.01 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.531 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.56 -21.11 62.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.612 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.27 -63.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.39 -30.33 8.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.937 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.45 -64.87 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.567 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER 25.62 73.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.593 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.937 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.77 -49.03 3.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.16 -19.68 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.413 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.18 -30.04 31.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.523 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.6 mttm -90.53 32.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.976 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.586 ' O ' HG13 ' A' ' 7' ' ' ILE . 1.4 mm? . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.3 mtm105 -47.74 -48.24 29.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.629 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 4.1 mtt180 -64.73 -30.95 71.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.562 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.61 -43.43 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' ' 3' ' ' LEU . 2.3 mt -58.82 -54.68 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.584 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -71.69 -19.91 62.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.629 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.23 -63.62 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.24 -30.84 8.13 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.966 HG22 ' CG1' ' A' ' 13' ' ' ILE . 2.0 mt -82.32 -64.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.584 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 1.0 OUTLIER 26.23 73.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.557 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.966 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.06 -49.15 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.02 -19.77 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.15 -30.0 31.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.535 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.5 mttm -90.59 32.9 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.599 ' O ' HG13 ' A' ' 7' ' ' ILE . 3.2 mm? . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -48.02 -48.65 32.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.62 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 2.5 mtt180 -64.85 -30.78 71.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.535 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.51 -43.99 18.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.599 HG13 ' O ' ' A' ' 3' ' ' LEU . 2.6 mt -58.55 -54.29 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -71.29 -20.62 62.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.62 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -54.01 -63.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.24 -30.11 7.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.931 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.42 -65.02 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.575 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER 25.57 73.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.596 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.931 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.63 -49.07 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.13 -19.7 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.24 -29.94 31.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.532 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -90.58 32.88 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.684 ' O ' HG13 ' A' ' 7' ' ' ILE . 3.3 mm? . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -51.89 -49.64 62.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.604 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 6.4 mtt180 -62.22 -31.27 71.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.547 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -83.53 -43.69 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.684 HG13 ' O ' ' A' ' 3' ' ' LEU . 1.9 mt -58.36 -54.86 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.52 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.86 -21.12 62.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.604 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 1.7 mmtp -53.18 -63.21 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.5 -30.37 8.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.933 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.33 -64.79 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.57 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER 25.64 73.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.614 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.933 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.79 -49.3 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.97 -19.69 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -29.78 31.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.535 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.1 mttm -90.36 32.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.69 ' O ' HG13 ' A' ' 7' ' ' ILE . 3.2 mm? . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -51.82 -49.63 62.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.613 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -62.06 -32.23 72.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.545 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -82.52 -44.15 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.69 HG13 ' O ' ' A' ' 3' ' ' LEU . 2.1 mt -58.29 -54.52 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.172 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.537 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -71.2 -21.08 62.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.613 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 2.7 mmtp -53.17 -63.11 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.52 -30.42 8.38 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.43 1.082 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.932 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.27 -64.83 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.555 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER 25.75 73.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.604 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.932 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.72 -49.1 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.14 -19.66 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.27 -29.95 30.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.51 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.3 mttm -90.58 32.94 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 111.006 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.616 ' O ' ' N ' ' A' ' 7' ' ' ILE . 1.8 mm? . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -47.49 -48.03 27.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.608 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -64.61 -31.56 72.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 110.254 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.537 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.09 -43.94 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.616 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.48 -54.94 26.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -69.87 -22.18 63.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.608 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.45 -63.1 1.26 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.35 -30.05 7.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.551 1.157 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.936 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.7 mt -84.24 -65.43 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.574 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER 25.4 72.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.591 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.936 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.02 -50.73 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.1 -26.81 5.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.695 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -74.52 -26.83 60.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.54 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.0 OUTLIER -93.53 30.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.958 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.416 ' N ' ' HD3' ' A' ' 4' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.441 ' C ' ' N ' ' A' ' 4' ' ' ARG . 29.1 t30 -115.3 159.12 21.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.674 HD13 HG13 ' A' ' 6' ' ' ILE . 0.6 OUTLIER 47.83 20.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.441 ' N ' ' C ' ' A' ' 2' ' ' ASN . 57.0 mtm180 -48.11 -48.77 33.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.62 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 3.5 mtm180 -64.62 -30.86 71.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.674 HG13 HD13 ' A' ' 3' ' ' LEU . 1.1 mm -83.4 -43.65 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.659 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.82 -54.67 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.589 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -71.71 -19.89 61.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.62 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.24 -63.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.14 -30.89 7.95 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.993 HG22 ' CG1' ' A' ' 13' ' ' ILE . 2.1 mt -82.32 -64.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.589 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 1.1 m170 26.57 72.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.993 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.52 -50.18 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.47 -24.04 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -78.32 -26.43 46.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.525 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.5 mttm -92.8 31.11 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -127.24 162.58 25.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.093 . . . . 0.0 111.025 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.443 ' C ' ' N ' ' A' ' 4' ' ' ARG . 3.1 t-20 -62.15 -156.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.608 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.6 mm? 47.86 20.59 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.443 ' N ' ' C ' ' A' ' 2' ' ' ASN . 9.0 mtt85 -48.05 -48.93 32.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.623 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -64.3 -31.72 73.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.559 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -82.5 -43.86 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.608 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.8 -54.46 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.58 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -71.95 -19.83 61.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.623 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -53.27 -63.59 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.2 -30.84 8.04 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.56 1.163 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.98 HG22 ' CG1' ' A' ' 13' ' ' ILE . 2.1 mt -82.4 -64.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.763 . . . . 0.0 109.256 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.58 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 1.1 m170 26.5 72.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.591 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.98 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.54 -50.17 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.49 -24.01 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -78.42 -26.35 46.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.533 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.3 mttm -92.8 31.1 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -127.29 149.72 49.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.451 ' C ' ' H ' ' A' ' 4' ' ' ARG . 87.8 m-20 -85.25 8.1 19.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.649 ' O ' ' N ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -79.25 16.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.451 ' H ' ' C ' ' A' ' 2' ' ' ASN . 2.6 mtt85 -47.66 -47.87 29.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.616 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 2.1 mtt85 -64.87 -30.79 71.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.551 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.91 -43.42 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.649 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.2 mt -58.73 -55.08 25.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.54 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -70.59 -21.02 62.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.616 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 2.2 mmtt -53.18 -63.47 1.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.21 -30.4 7.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.576 1.173 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.966 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.9 mt -83.37 -65.02 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.556 0.798 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.563 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER 26.25 72.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.573 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.966 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.1 -50.01 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.53 -24.07 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -78.32 -26.42 46.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.4 mttm -92.76 31.09 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -127.23 140.58 52.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 4' ' ' ARG . 14.3 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.482 ' CB ' ' HG3' ' A' ' 4' ' ' ARG . 3.9 m-20 65.67 9.84 6.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.648 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.8 mm? 47.32 20.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.482 ' HG3' ' CB ' ' A' ' 2' ' ' ASN . 14.2 mtp-105 -47.92 -48.94 31.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.623 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -64.63 -30.8 71.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.55 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.54 -43.76 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.648 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.69 -54.92 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -70.83 -20.97 62.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.265 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.623 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 1.0 OUTLIER -53.03 -63.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.33 -30.43 7.99 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.968 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.9 mt -83.19 -64.87 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 0.75 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.555 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER 26.18 72.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.576 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.968 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.28 -50.1 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.5 -24.06 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -78.34 -26.33 46.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.529 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.6 mttm -92.69 31.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -127.27 141.7 51.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.0 tptt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.441 ' C ' ' H ' ' A' ' 4' ' ' ARG . 20.2 m-20 46.98 73.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.605 ' O ' ' N ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -79.21 16.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.441 ' H ' ' C ' ' A' ' 2' ' ' ASN . 38.3 mtp85 -47.6 -48.03 28.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.629 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -64.69 -30.93 71.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.58 HG13 HD13 ' A' ' 3' ' ' LEU . 1.1 mm -83.74 -43.25 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.605 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.2 mt -58.84 -54.84 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.58 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -71.56 -19.92 62.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.629 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.21 -63.71 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.04 -30.93 7.76 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.979 HG22 ' CG1' ' A' ' 13' ' ' ILE . 2.0 mt -82.34 -64.25 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.58 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 1.1 m170 26.53 72.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.613 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.979 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.48 -50.17 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.47 -23.96 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -78.39 -26.41 46.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.536 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.3 mttm -92.74 31.07 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -127.23 93.13 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.115 . . . . 0.0 110.955 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.6 mttp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.44 ' C ' ' H ' ' A' ' 4' ' ' ARG . 3.2 t30 -110.73 -31.92 7.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.643 ' O ' ' N ' ' A' ' 7' ' ' ILE . 2.1 mm? -79.23 16.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.44 ' H ' ' C ' ' A' ' 2' ' ' ASN . 2.1 mtt180 -47.73 -47.81 30.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.622 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -64.93 -30.73 71.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.53 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.96 -43.7 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.643 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.3 mt -58.5 -54.91 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.587 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -70.32 -21.93 62.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.247 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.622 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -52.98 -63.22 1.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.16 -30.5 7.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.946 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.42 -65.05 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.587 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 0.9 OUTLIER 25.9 72.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.608 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.946 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.08 -50.08 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.53 -24.05 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -78.4 -26.22 46.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.54 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.7 mttm -92.78 30.97 1.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -127.23 151.89 48.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.5 mptt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.865 ' C ' HD22 ' A' ' 3' ' ' LEU . 4.3 t-20 -82.35 58.06 3.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.865 HD22 ' C ' ' A' ' 2' ' ' ASN . 3.2 mm? -147.48 16.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -51.77 -49.75 62.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.62 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -61.85 -32.35 72.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.266 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.552 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -82.47 -43.72 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.682 HG13 ' O ' ' A' ' 3' ' ' LEU . 1.9 mt -58.54 -54.43 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.583 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -72.0 -20.12 61.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.62 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.03 -63.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.24 -30.85 8.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.981 HG22 ' CG1' ' A' ' 13' ' ' ILE . 2.1 mt -82.42 -64.25 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 0.744 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.583 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 1.1 m170 26.37 72.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.609 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.981 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.42 -50.08 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.52 -24.01 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -78.36 -26.41 46.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.523 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.8 mttm -92.79 31.11 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -127.2 177.54 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.0 mttp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.463 ' C ' ' N ' ' A' ' 4' ' ' ARG . 0.7 OUTLIER -116.74 174.09 6.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.654 ' O ' ' N ' ' A' ' 7' ' ' ILE . 2.3 mm? 47.82 20.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.097 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.463 ' N ' ' C ' ' A' ' 2' ' ' ASN . 72.7 mtm180 -48.05 -48.75 33.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.262 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.626 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 5.3 mtt-85 -64.76 -30.62 71.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.598 HG13 HD13 ' A' ' 3' ' ' LEU . 1.1 mm -83.72 -43.78 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.654 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.6 -55.01 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.525 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.5 -21.25 62.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.626 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.28 -63.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.42 -30.34 8.09 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.94 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.43 -64.92 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.562 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER 25.72 73.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.571 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.94 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.72 -49.1 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.09 -19.72 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.2 -30.02 31.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.519 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.2 mttm -90.5 32.89 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -127.26 97.96 5.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.546 ' O ' HD22 ' A' ' 3' ' ' LEU . 75.4 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.482 ' ND2' ' NE ' ' A' ' 4' ' ' ARG . 1.0 OUTLIER 72.14 -73.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.649 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.8 mm? 47.84 20.61 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.482 ' NE ' ' ND2' ' A' ' 2' ' ' ASN . 71.1 mtm180 -48.02 -48.69 32.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.624 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 5.9 mtt180 -64.84 -30.63 71.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.255 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.537 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.68 -43.9 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.649 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.47 -55.0 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.537 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.45 -21.33 62.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.624 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -53.29 -63.24 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.4 -30.26 7.99 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.926 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.6 -64.91 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.571 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER 25.7 73.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.593 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.926 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.7 -49.12 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.12 -19.67 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.407 ' CE ' ' ND1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -82.2 -30.02 31.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.0 OUTLIER -90.58 32.93 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -127.29 -177.21 3.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.445 ' C ' ' N ' ' A' ' 4' ' ' ARG . 9.9 t30 -148.18 44.5 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.632 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.7 mm? 47.9 20.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.445 ' N ' ' C ' ' A' ' 2' ' ' ASN . 19.2 mtm105 -47.94 -48.79 31.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.607 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 2.4 mtm180 -64.81 -30.49 71.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.542 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.82 -44.03 18.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.632 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.5 mt -58.41 -55.04 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.559 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -69.76 -22.2 63.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.607 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 2.0 mmtt -53.4 -62.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.39 -30.19 7.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.904 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.7 mt -84.05 -65.27 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.576 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER 24.95 74.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.62 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.904 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.57 -49.13 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.16 -19.67 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.25 -30.0 30.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.532 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.7 mttm -90.51 32.85 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -127.2 -46.12 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.558 1.161 . . . . 0.0 111.014 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.449 ' C ' ' N ' ' A' ' 4' ' ' ARG . 66.4 m-20 -167.71 52.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.628 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.7 mm? 47.86 20.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.449 ' N ' ' C ' ' A' ' 2' ' ' ASN . 72.6 mtp180 -48.2 -48.64 34.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.606 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 13.7 mtt180 -64.91 -30.48 71.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.515 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.85 -44.06 18.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.628 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.5 mt -58.39 -54.99 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.555 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -69.83 -22.19 63.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.606 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 1.8 mmtp -53.32 -63.0 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.4 -30.22 7.95 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.885 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.6 mt -83.94 -65.18 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.782 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.583 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER 24.68 74.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.617 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.885 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.68 -49.2 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.12 -19.72 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.12 -30.04 31.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.523 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 0.9 OUTLIER -90.53 32.84 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -127.22 -178.38 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.484 ' O ' ' CG ' ' A' ' 4' ' ' ARG . 5.1 pttp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.44 ' C ' ' N ' ' A' ' 4' ' ' ARG . 7.3 m-20 -95.3 -173.75 3.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.604 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.7 mm? 47.87 20.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' A' ' 1' ' ' LYS . 5.9 mtm180 -47.89 -48.88 31.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.618 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 2.4 ptt180 -64.46 -31.53 72.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.552 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -82.68 -44.1 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.604 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.5 mt -58.58 -54.76 28.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.531 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -70.85 -21.14 62.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.618 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.23 -63.25 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.43 -30.39 8.15 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.939 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.33 -64.77 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.575 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER 25.58 74.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.589 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.939 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.75 -49.33 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.99 -19.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.19 -29.85 31.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.527 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 6.6 mttt -90.29 32.58 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -127.37 165.02 20.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.461 ' C ' ' N ' ' A' ' 4' ' ' ARG . 2.0 m-20 -54.18 -75.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.663 HD13 HG13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER 47.82 20.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.461 ' N ' ' C ' ' A' ' 2' ' ' ASN . 10.3 mtp180 -48.03 -48.71 32.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.626 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -64.85 -30.59 71.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.663 HG13 HD13 ' A' ' 3' ' ' LEU . 1.1 mm -83.67 -43.61 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.624 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.87 -54.93 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.527 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.81 -20.53 62.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.313 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.626 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -53.43 -64.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.7 -30.06 4.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.9 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.7 mt -84.16 -67.02 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.53 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER 29.65 65.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.596 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.9 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.82 -47.58 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.6 -24.08 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -78.92 -25.75 43.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.549 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.0 mttm -93.44 31.46 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -127.19 -53.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.552 1.158 . . . . 0.0 111.015 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.464 ' HB3' ' CD ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.458 ' C ' ' H ' ' A' ' 4' ' ' ARG . 18.6 m-80 -113.85 -35.77 5.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.597 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.0 mm? -79.23 16.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.464 ' CD ' ' HB3' ' A' ' 1' ' ' LYS . 11.7 mtp-105 -47.59 -48.01 28.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.602 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -64.9 -30.36 71.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 110.315 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.518 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -84.33 -43.28 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.597 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.2 mt -58.88 -55.48 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.591 ' HD3' ' CD2' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -69.24 -20.42 63.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.602 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -56.07 -63.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.52 -28.23 4.79 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.659 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.2 mt -85.11 -68.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.616 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER 20.66 73.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.592 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.659 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -121.72 -49.08 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.28 -24.03 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -78.54 -26.01 45.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.547 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.6 mttm -92.93 30.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -127.37 102.96 7.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.54 1.15 . . . . 0.0 110.982 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.588 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 1.1 m120 -124.57 23.31 8.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.62 ' O ' ' N ' ' A' ' 7' ' ' ILE . 1.4 mm? 79.27 17.6 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.411 ' HB2' ' NH1' ' A' ' 4' ' ' ARG . 18.6 mtm105 -47.86 -48.17 31.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.612 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 3.2 mtt-85 -64.82 -30.73 71.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.556 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.86 -43.61 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.62 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.3 mt -58.71 -55.01 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.531 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.56 -21.11 62.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.612 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.27 -63.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.39 -30.33 8.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.937 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.45 -64.87 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.567 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER 25.62 73.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.593 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.937 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.77 -49.03 3.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.16 -19.68 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.18 -30.04 31.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.523 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.6 mttm -90.53 32.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -127.2 177.66 6.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.61 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 12.3 p30 -40.31 153.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.61 ' HB2' ' O ' ' A' ' 2' ' ' ASN . 1.4 mm? 79.31 17.65 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.3 mtm105 -47.74 -48.24 29.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.629 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 4.1 mtt180 -64.73 -30.95 71.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.562 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.61 -43.43 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' ' 3' ' ' LEU . 2.3 mt -58.82 -54.68 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.584 ' HD2' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -71.69 -19.91 62.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.629 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.23 -63.62 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.24 -30.84 8.13 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.966 HG22 ' CG1' ' A' ' 13' ' ' ILE . 2.0 mt -82.32 -64.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.584 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 1.0 OUTLIER 26.23 73.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.557 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.966 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.06 -49.15 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.02 -19.77 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.15 -30.0 31.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.535 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.5 mttm -90.59 32.9 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -127.27 -52.18 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 110.972 -179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.6 mttm . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.45 ' C ' ' N ' ' A' ' 4' ' ' ARG . 1.8 t30 -88.86 57.48 4.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.599 ' O ' HG13 ' A' ' 7' ' ' ILE . 3.2 mm? 47.81 20.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.45 ' N ' ' C ' ' A' ' 2' ' ' ASN . 5.5 mtp180 -48.02 -48.65 32.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.62 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 2.5 mtt180 -64.85 -30.78 71.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.535 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.51 -43.99 18.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.599 HG13 ' O ' ' A' ' 3' ' ' LEU . 2.6 mt -58.55 -54.29 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -71.29 -20.62 62.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.62 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -54.01 -63.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.24 -30.11 7.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.931 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.42 -65.02 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.575 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER 25.57 73.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.596 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.931 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.63 -49.07 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.13 -19.7 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -82.24 -29.94 31.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.532 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -90.58 32.88 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -127.22 155.79 42.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.435 1.084 . . . . 0.0 111.011 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.869 ' C ' HD22 ' A' ' 3' ' ' LEU . 1.0 OUTLIER 81.2 34.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.869 HD22 ' C ' ' A' ' 2' ' ' ASN . 3.3 mm? -147.38 16.76 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -51.89 -49.64 62.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.604 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 6.4 mtt180 -62.22 -31.27 71.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.547 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -83.53 -43.69 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.684 HG13 ' O ' ' A' ' 3' ' ' LEU . 1.9 mt -58.36 -54.86 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.52 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.86 -21.12 62.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.604 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 1.7 mmtp -53.18 -63.21 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.5 -30.37 8.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.933 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.33 -64.79 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.57 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER 25.64 73.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.614 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.933 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.79 -49.3 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.97 -19.69 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -29.78 31.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.535 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 2.1 mttm -90.36 32.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -127.4 164.7 21.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.536 1.148 . . . . 0.0 110.962 -179.926 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.884 ' O ' HD22 ' A' ' 3' ' ' LEU . 63.1 m-20 -99.16 45.55 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.884 HD22 ' O ' ' A' ' 2' ' ' ASN . 3.2 mm? -147.45 16.74 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -51.82 -49.63 62.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.613 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -62.06 -32.23 72.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.545 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -82.52 -44.15 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.69 HG13 ' O ' ' A' ' 3' ' ' LEU . 2.1 mt -58.29 -54.52 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.172 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.537 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -71.2 -21.08 62.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.613 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 2.7 mmtp -53.17 -63.11 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.52 -30.42 8.38 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.43 1.082 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.932 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.8 mt -83.27 -64.83 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.555 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER 25.75 73.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.604 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.932 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.72 -49.1 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -52.14 -19.66 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.27 -29.95 30.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.51 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.3 mttm -90.58 32.94 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -127.29 -54.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.565 1.166 . . . . 0.0 111.032 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.455 ' C ' ' H ' ' A' ' 4' ' ' ARG . 1.0 OUTLIER -61.17 -170.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.616 ' O ' ' N ' ' A' ' 7' ' ' ILE . 1.8 mm? -79.2 16.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.455 ' H ' ' C ' ' A' ' 2' ' ' ASN . 60.1 mtp180 -47.49 -48.03 27.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.608 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -64.61 -31.56 72.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 110.254 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.537 ' HA ' ' HB2' ' A' ' 9' ' ' LYS . 1.1 mm -83.09 -43.94 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.616 ' N ' ' O ' ' A' ' 3' ' ' LEU . 2.4 mt -58.48 -54.94 26.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -69.87 -22.18 63.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.608 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.45 -63.1 1.26 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.35 -30.05 7.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.551 1.157 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.936 HG22 ' CG1' ' A' ' 13' ' ' ILE . 1.7 mt -84.24 -65.43 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.574 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER 25.4 72.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.591 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.936 ' CG1' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -119.02 -50.73 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mm -51.1 -26.81 5.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.695 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -74.52 -26.83 60.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.54 ' HD2' ' HA ' ' A' ' 13' ' ' ILE . 1.0 OUTLIER -93.53 30.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -127.45 92.67 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.958 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 O-C-N 124.541 1.151 . . . . 0.0 110.997 -179.999 . . . . . . . . 0 0 . 1 stop_ save_