data_1uhr_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 1uhr _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.487 ' CE1' ' HB2' ' A' ' 29' ' ' ARG . 23.4 m-85 -120.7 144.61 48.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -80.05 130.36 35.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.445 HD23 ' CD1' ' A' ' 32' ' ' ILE . 6.4 mt -84.64 145.83 27.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -55.02 167.66 0.62 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -16.9 20.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.572 1.827 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.95 -27.5 14.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.429 ' C ' ' N ' ' A' ' 20' ' ' ARG . 7.3 tp -91.65 -46.59 7.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.83 -30.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.429 ' N ' ' C ' ' A' ' 18' ' ' LEU . 27.6 mtt85 -95.57 -44.61 7.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.455 HD21 ' CD1' ' A' ' 63' ' ' ILE . 13.9 tp -41.25 -59.26 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 mt -87.43 -35.23 18.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.79 12.67 52.59 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 27' ' ' GLN . 19.5 mt -91.59 99.22 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -50.37 -62.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.582 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 m -157.36 114.67 3.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.42 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.463 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 0.9 OUTLIER -135.26 -173.0 3.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.52 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 24.6 p -79.33 -177.48 5.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.418 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.609 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 2.8 ttt180 -78.42 -44.89 2.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.91 -6.2 17.79 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.52 ' CG2' ' OG1' ' A' ' 28' ' ' THR . 43.8 t -99.55 -31.54 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.445 ' CD1' HD23 ' A' ' 14' ' ' LEU . 63.4 mt -84.6 -53.35 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.446 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.7 tt -41.43 -43.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.356 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 37' ' ' TRP . 16.3 mm-40 -65.3 -62.51 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.47 -29.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 5.9 tp -80.75 -51.08 9.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.446 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 69.0 m95 -52.55 -43.98 65.53 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.4 ' HA ' ' NE2' ' A' ' 38' ' ' GLN . 10.7 tp60 -60.93 -13.63 17.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.601 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.3 t80 -86.11 -47.3 9.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.476 ' CD1' HG22 ' A' ' 54' ' ' VAL . 47.8 mt -68.05 -23.63 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.91 -49.61 9.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.9 m -71.17 -43.88 66.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.419 1.074 . . . . 0.0 110.392 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.601 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.3 m-70 -83.31 0.73 44.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.599 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 43' ' ' HIS . 8.7 mttt 39.66 58.09 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.474 ' CD1' HD13 ' A' ' 60' ' ' LEU . 89.7 mt -82.6 1.57 37.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.428 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.2 tt0 -52.01 127.83 22.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' A' ' 50' ' ' GLU . 31.1 t70 -57.92 129.88 82.35 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -11.34 21.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.786 . . . . 0.0 111.043 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.513 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -88.01 -55.08 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.631 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' A' ' 47' ' ' ASP . 5.2 mm-40 -111.02 175.23 5.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.428 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 31.2 mtt180 -112.19 -5.05 14.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.606 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 4.1 pm0 -107.48 -20.91 13.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.606 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 62.0 m-85 -90.63 167.69 12.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.532 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -146.55 121.46 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.476 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 3.7 mt -80.97 113.38 19.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 18.3 m -63.9 133.38 53.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 108.358 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.96 179.77 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -48.27 -51.44 25.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.524 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 3.8 m-30 -59.64 -60.14 4.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.474 HD13 ' CD1' ' A' ' 45' ' ' LEU . 54.0 mt -51.84 -42.79 62.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -58.03 -17.74 19.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -99.2 -14.41 19.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.455 ' CD1' HD21 ' A' ' 21' ' ' LEU . 10.8 mt -102.54 -57.81 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.571 ' CD1' ' HE2' ' A' ' 69' ' ' MET . 46.7 m-85 -79.61 -39.59 31.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 111.042 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 68.63 31.12 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.65 95.59 4.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -43.45 -46.97 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.476 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 14.9 ttt180 -142.69 124.57 15.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.571 ' HE2' ' CD1' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -139.2 166.34 24.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.582 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -86.48 144.18 27.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 3.8 m-85 -53.52 -28.75 32.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.403 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 9.2 t -79.4 -11.12 59.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.016 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -96.18 1.39 52.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.24 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.3 mm -74.8 -45.29 5.21 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.99 -11.7 21.5 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -87.81 -16.69 33.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.2 -16.82 14.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' LEU . 9.3 mt -65.51 -43.47 89.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.458 ' CD2' ' O ' ' A' ' 75' ' ' PRO . 98.7 m-70 -41.56 -36.21 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.57 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.05 -50.84 37.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.453 HD11 ' CG2' ' A' ' 63' ' ' ILE . 23.4 mt -64.33 -26.39 68.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.423 HD21 ' CD2' ' A' ' 14' ' ' LEU . 80.4 mt -88.12 121.36 30.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 55.1 mtm -123.05 158.51 57.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 113.65 3.84 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.46 1.768 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.479 1.779 . . . . 0.0 110.975 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -109.05 149.63 28.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -81.83 137.13 35.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.445 HD23 ' CD1' ' A' ' 32' ' ' ILE . 4.6 mt -88.3 145.37 25.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.49 166.95 1.46 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -16.32 20.27 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -97.29 -27.26 14.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.442 ' C ' ' N ' ' A' ' 20' ' ' ARG . 7.3 tp -92.34 -46.63 7.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.28 -29.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.442 ' N ' ' C ' ' A' ' 18' ' ' LEU . 16.9 mtt-85 -94.98 -48.22 6.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' ARG . 12.2 tp -40.32 -60.51 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.9 mt -82.76 -38.36 23.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.39 6.51 56.56 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.407 ' CG2' HD11 ' A' ' 14' ' ' LEU . 9.2 mt -88.68 109.49 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.767 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -63.19 -61.35 2.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.565 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 m -154.6 115.22 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.427 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.475 ' CG ' ' CG1' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -136.85 -166.97 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.576 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 34.3 p -84.77 -167.08 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.424 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.568 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 12.0 ttp85 -82.88 -47.73 0.83 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.02 -4.77 15.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.534 1.807 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.576 ' CG2' ' OG1' ' A' ' 28' ' ' THR . 51.0 t -100.5 -27.45 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.445 ' CD1' HD23 ' A' ' 14' ' ' LEU . 86.0 mt -91.0 -44.23 14.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' A' ' 29' ' ' ARG . 2.4 tt -54.88 -41.82 59.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.415 ' C ' ' N ' ' A' ' 36' ' ' LEU . 91.0 mm-40 -64.48 -57.91 7.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.79 -26.27 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.588 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 6.1 tp -84.26 -49.55 8.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.441 ' HZ3' ' CD1' ' A' ' 71' ' ' PHE . 72.3 m95 -54.4 -44.29 72.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 108.021 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -62.17 -12.79 21.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.545 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.4 t80 -86.96 -47.63 8.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.474 ' CD1' HG21 ' A' ' 54' ' ' VAL . 37.6 mt -69.01 -21.94 25.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -84.1 -47.98 10.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.3 m -73.25 -41.91 63.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.441 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.545 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.2 m-70 -85.05 1.52 47.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.583 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 43' ' ' HIS . 11.7 mmtt 38.85 60.06 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.446 ' CD1' HD11 ' A' ' 60' ' ' LEU . 82.9 mt -84.64 1.5 45.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.429 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -51.88 129.01 25.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' A' ' 50' ' ' GLU . 30.2 t70 -59.28 129.6 86.65 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -12.62 21.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.545 1.813 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.52 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -85.98 -53.88 4.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.59 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 47' ' ' ASP . 6.0 mm-40 -110.35 -175.58 2.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.429 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.1 -13.82 9.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.596 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 7.0 pm0 -100.95 -21.44 15.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.587 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 45.5 m-85 -86.35 166.46 15.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.558 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -146.26 119.2 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.46 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 11.7 mt -79.55 105.54 10.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 36.0 m -56.61 137.55 53.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 108.235 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.08 179.4 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -56.52 -33.84 66.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.421 ' N ' ' HG2' ' A' ' 58' ' ' LYS . 14.0 m-85 -73.25 -52.67 13.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.446 HD11 ' CD1' ' A' ' 45' ' ' LEU . 91.8 mt -62.22 -39.63 93.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -56.63 -19.62 17.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -99.3 -13.53 19.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.475 ' CG2' HD11 ' A' ' 81' ' ' LEU . 12.9 mt -101.65 -59.9 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CD2' ' HE1' ' A' ' 69' ' ' MET . 33.6 m-85 -76.03 -37.73 58.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 69.48 30.16 4.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.453 ' OG ' ' NH1' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -126.77 93.55 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -41.45 -48.91 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.463 ' HD3' ' CD2' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -141.64 122.95 14.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.566 ' HE1' ' CD2' ' A' ' 64' ' ' PHE . 1.2 ptm -138.1 162.7 33.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.584 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -82.56 144.58 30.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 3.7 m-85 -53.45 -25.99 18.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.0 -12.1 60.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -96.44 2.97 53.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.9 mm -76.19 -45.33 3.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.98 -12.21 21.55 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -93.31 -15.4 25.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.508 ' HB3' ' CD2' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -103.38 -12.72 17.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 82' ' ' LEU . 9.0 mt -70.46 -37.14 74.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -45.34 -33.12 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.674 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.47 -47.3 49.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.475 HD11 ' CG2' ' A' ' 63' ' ' ILE . 12.2 mt -71.86 -13.46 61.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 78' ' ' LEU . 86.0 mt -99.84 117.12 33.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 59.6 mtm -118.11 158.7 45.57 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 115.73 4.38 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.447 1.761 . . . . 0.0 111.018 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.436 1.756 . . . . 0.0 111.001 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -104.74 150.82 24.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -82.46 130.75 35.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.453 HD23 ' CD1' ' A' ' 32' ' ' ILE . 5.4 mt -82.1 146.0 29.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.509 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.52 166.84 1.52 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.0 20.43 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -97.32 -27.53 14.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 21' ' ' LEU . 7.2 tp -92.14 -47.2 7.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -42.43 -30.1 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -95.36 -33.92 12.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.082 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.459 ' CD2' HD23 ' A' ' 60' ' ' LEU . 12.7 tp -53.37 -61.08 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.7 mt -84.69 -29.62 25.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.66 9.23 63.04 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 111.029 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.8 mt -88.71 107.05 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -58.76 -62.73 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.581 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 m -156.55 110.97 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.487 ' CG ' HG12 ' A' ' 31' ' ' VAL . 1.2 mp0 -129.63 -167.59 1.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.562 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 33.5 p -84.18 -167.14 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.569 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.5 ttp-105 -82.73 -47.65 0.86 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.98 -4.68 15.77 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.562 ' CG2' ' OG1' ' A' ' 28' ' ' THR . 46.7 t -100.34 -29.37 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.453 ' CD1' HD23 ' A' ' 14' ' ' LEU . 83.5 mt -88.56 -45.21 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.452 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.8 tt -53.94 -42.65 54.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.427 ' C ' ' N ' ' A' ' 36' ' ' LEU . 42.9 mm-40 -64.72 -61.53 2.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.356 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -41.82 -28.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 5.9 tp -81.48 -50.38 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 75.3 m95 -52.93 -46.19 68.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 107.997 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -59.57 -14.91 15.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.709 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 4.8 t80 -85.54 -47.54 9.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.5 mt -66.18 -23.55 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -84.4 -51.39 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.5 m -68.82 -42.43 77.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.709 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.6 m-70 -85.14 2.3 44.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.588 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt 42.57 58.41 3.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.576 ' CD1' ' CD1' ' A' ' 60' ' ' LEU . 75.3 mt -80.84 -5.05 56.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -51.78 124.02 11.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.302 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 50' ' ' GLU . 32.9 t70 -56.26 130.68 75.18 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -12.74 21.48 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.761 . . . . 0.0 110.978 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.519 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -86.98 -54.49 4.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.585 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.0 mm-40 -109.26 -176.74 3.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.426 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 4.3 mmt-85 -118.97 -10.61 9.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.615 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 3.9 pm0 -103.59 -20.73 13.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.615 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 53.6 m-85 -88.65 168.23 12.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.566 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -147.29 120.1 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.452 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 5.2 mt -81.8 105.54 13.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.0 m -57.45 132.82 54.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 108.316 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -68.11 178.67 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -49.23 -48.47 45.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.494 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 4.8 m-30 -60.05 -60.46 3.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.576 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 93.8 mt -53.24 -42.18 66.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -56.48 -18.56 11.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -99.3 -14.75 19.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.482 ' CG2' HD11 ' A' ' 81' ' ' LEU . 13.5 mt -101.68 -59.83 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.504 ' CD1' ' HE1' ' A' ' 69' ' ' MET . 36.9 m-85 -75.39 -37.4 60.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 68.9 28.88 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.56 98.49 5.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -47.26 -44.65 23.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.452 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 29.3 ttp180 -142.32 123.86 14.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.261 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.504 ' HE1' ' CD1' ' A' ' 64' ' ' PHE . 2.3 ptm -138.99 165.38 27.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.575 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -86.25 143.84 27.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.566 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.9 m-85 -54.25 -29.01 45.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.7 t -77.39 -11.88 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -96.28 2.76 53.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.623 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.4 mm -75.66 -45.48 4.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.02 -11.57 21.45 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.461 1.769 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -93.16 -16.0 25.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.01 -18.13 15.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 82' ' ' LEU . 8.2 mt -65.77 -39.81 91.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -43.17 -33.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.607 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.77 -47.59 37.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.482 HD11 ' CG2' ' A' ' 63' ' ' ILE . 14.4 mt -68.71 -16.9 63.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' LEU . 61.1 mt -96.1 124.15 39.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.47 ' CE ' ' HA ' ' A' ' 15' ' ' ASP . 40.7 mtm -120.59 158.55 51.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 113.41 3.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.466 1.772 . . . . 0.0 111.015 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -102.08 151.13 22.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.406 ' O ' ' SD ' ' A' ' 83' ' ' MET . 2.7 ttpp -86.22 125.32 33.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 mt -76.3 145.2 39.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -54.99 167.24 0.66 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.93 19.87 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.535 1.808 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -97.51 -27.06 14.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.423 ' C ' ' N ' ' A' ' 20' ' ' ARG . 6.7 tp -91.77 -45.65 8.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.37 -32.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.423 ' N ' ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -93.43 -47.87 6.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.452 ' CD2' HD22 ' A' ' 60' ' ' LEU . 12.5 tp -40.1 -60.51 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.8 mt -84.27 -38.65 20.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.66 7.88 58.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.555 1.159 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.438 ' CG2' ' HB2' ' A' ' 27' ' ' GLN . 12.8 mt -89.6 96.52 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -50.82 -62.0 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.578 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 84.9 m -152.28 124.48 8.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.438 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 0.8 OUTLIER -146.99 -171.19 3.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.524 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 32.0 p -81.14 -176.72 6.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.419 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.612 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.5 ttt180 -78.75 -44.48 1.9 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.99 -6.54 18.19 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.524 ' CG2' ' OG1' ' A' ' 28' ' ' THR . 37.6 t -97.84 -36.85 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 53.1 mt -78.15 -50.31 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.593 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.4 tt -48.14 -40.24 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.424 ' C ' ' N ' ' A' ' 36' ' ' LEU . 3.3 mm100 -67.11 -61.03 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.02 -27.83 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.491 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 5.8 tp -82.67 -49.13 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.593 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 76.5 m95 -53.55 -44.3 69.14 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -12.67 24.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.628 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.2 t80 -86.52 -47.82 8.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.04 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.462 ' CD1' HG23 ' A' ' 54' ' ' VAL . 22.7 mt -68.26 -22.15 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.26 -48.6 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -72.17 -42.3 66.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.628 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 5.7 m-70 -84.59 3.41 36.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 38.86 59.11 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.463 ' CD1' HD11 ' A' ' 60' ' ' LEU . 83.7 mt -84.71 -0.97 55.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.3 tt0 -51.57 126.95 18.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 50' ' ' GLU . 27.3 t70 -58.56 128.47 83.33 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -11.47 21.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.52 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -86.5 -52.92 5.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 109.59 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.463 ' O ' ' O ' ' A' ' 47' ' ' ASP . 5.7 mm-40 -112.7 -176.0 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.425 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.34 -12.77 9.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.607 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 4.8 pm0 -101.26 -21.73 14.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.607 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 57.7 m-85 -88.01 167.21 13.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.546 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -147.28 121.98 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.475 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 2.1 mt -81.94 110.05 16.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.3 m -59.6 141.13 55.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 108.294 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.77 176.53 6.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.552 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -51.89 -37.61 52.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.552 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 10.6 m-85 -71.53 -54.9 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 45' ' ' LEU . 88.8 mt -58.69 -41.22 85.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -56.83 -18.27 12.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -99.54 -13.71 19.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 110.226 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.438 ' CG2' HD12 ' A' ' 81' ' ' LEU . 13.4 mt -101.94 -57.61 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.577 ' CD1' ' HE3' ' A' ' 69' ' ' MET . 42.5 m-85 -79.03 -39.05 35.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 70.22 30.25 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.4 95.75 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -46.61 -44.26 18.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.475 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 14.9 ttt180 -144.9 123.16 12.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.577 ' HE3' ' CD1' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -139.67 166.42 24.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.998 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.6 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -86.63 142.93 27.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.546 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.4 m-85 -52.27 -31.91 34.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.402 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -74.34 -11.69 60.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -95.98 2.13 53.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.3 mm -75.53 -45.35 4.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.07 -11.2 21.35 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -93.0 -15.48 26.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.49 -15.97 14.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.7 mt -67.65 -37.44 82.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -46.44 -29.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.581 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.44 -46.73 30.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.506 HD13 ' CZ ' ' A' ' 64' ' ' PHE . 16.1 mt -70.76 -20.45 62.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.5 mt -94.23 113.76 25.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -112.65 157.48 40.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 111.011 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.5 3.81 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.542 1.812 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -103.92 152.54 21.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -83.01 127.24 33.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.472 HD23 ' CD1' ' A' ' 32' ' ' ILE . 4.9 mt -80.39 145.65 31.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.24 166.88 1.36 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -15.05 20.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.2 mtm-85 -97.52 -28.22 14.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.449 HD11 ' CD2' ' A' ' 21' ' ' LEU . 6.4 tp -91.92 -47.92 7.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.38 -29.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.442 ' N ' ' C ' ' A' ' 18' ' ' LEU . 1.2 ptt180 -95.82 -41.62 8.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.449 ' CD2' HD11 ' A' ' 18' ' ' LEU . 14.6 tp -45.57 -59.66 2.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.5 mt -87.4 -34.02 18.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.59 12.88 55.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.461 ' CG2' ' HB2' ' A' ' 27' ' ' GLN . 11.3 mt -90.42 102.39 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -58.07 -59.27 5.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.589 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 54.4 m -156.01 114.85 3.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.461 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 0.7 OUTLIER -138.14 -176.06 4.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.543 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 16.3 p -74.74 179.39 4.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.627 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 23.2 ttp180 -78.07 -43.97 2.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.99 -6.01 17.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.543 ' CG2' ' OG1' ' A' ' 28' ' ' THR . 41.3 t -99.17 -37.04 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' HD23 ' A' ' 14' ' ' LEU . 58.2 mt -76.78 -49.18 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.566 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.4 tt -48.37 -39.92 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.424 ' N ' HG23 ' A' ' 33' ' ' ILE . 1.6 mm100 -65.67 -58.9 4.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.02 -27.95 0.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.589 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 5.9 tp -82.97 -49.59 9.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.566 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 88.7 m95 -53.82 -48.13 70.19 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.407 ' HA ' ' NE2' ' A' ' 38' ' ' GLN . 13.5 tp60 -59.01 -15.79 14.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.487 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 5.1 t80 -84.04 -48.09 10.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.0 mt -67.25 -27.91 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -53.17 7.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.5 m -66.24 -44.92 82.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.378 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' LYS . 5.5 m-70 -84.07 1.85 42.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.555 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 43' ' ' HIS . 49.9 mttt 39.65 58.97 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.468 ' CD1' HD12 ' A' ' 60' ' ' LEU . 86.9 mt -82.0 0.34 40.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.424 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.1 tt0 -52.23 125.61 16.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.438 ' O ' ' O ' ' A' ' 50' ' ' GLU . 31.0 t70 -54.67 130.54 64.46 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -12.17 21.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.51 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -86.35 -53.08 5.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.628 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 47' ' ' ASP . 3.9 mm-40 -111.45 -173.07 2.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.424 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 10.0 mmt180 -120.23 -12.35 9.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.598 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 3.4 pm0 -102.16 -21.05 14.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.598 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 52.1 m-85 -86.97 164.4 16.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.557 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -143.04 118.71 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 68' ' ' ARG . 12.7 mt -79.12 98.5 6.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 12.4 m -54.84 135.33 47.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 108.241 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.545 ' OD2' ' CG ' ' A' ' 59' ' ' TYR . 5.0 p-10 -73.07 -178.92 3.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -50.31 -48.94 54.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.545 ' CG ' ' OD2' ' A' ' 57' ' ' ASP . 7.3 m-30 -58.11 -62.12 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.468 HD12 ' CD1' ' A' ' 45' ' ' LEU . 93.2 mt -54.07 -42.0 68.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -56.76 -19.75 18.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -98.83 -14.53 19.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.46 ' CG2' HD11 ' A' ' 81' ' ' LEU . 11.4 mt -102.0 -62.49 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 60' ' ' LEU . 34.5 m-85 -73.03 -35.16 66.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 66.29 30.07 9.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.67 96.2 4.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -44.95 -46.17 10.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.247 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.479 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -146.3 121.95 10.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.275 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.73 167.61 21.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -85.98 143.8 27.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.557 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 4.7 m-85 -53.04 -25.39 12.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.9 t -78.02 -12.05 59.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -96.08 3.04 53.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.619 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 1.9 mm -74.83 -45.42 5.14 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.95 -12.05 21.6 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -93.3 -14.89 26.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.453 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -105.1 -13.17 15.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 81' ' ' LEU . 8.5 mt -70.5 -41.03 73.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -40.54 -36.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.63 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.05 -49.11 48.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.46 HD11 ' CG2' ' A' ' 63' ' ' ILE . 8.3 mt -66.81 -19.87 65.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' LEU . 42.3 mt -98.05 118.19 34.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 61.9 mtm -116.57 158.77 42.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 113.41 3.79 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.78 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.502 1.791 . . . . 0.0 111.005 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -104.25 147.63 27.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -80.06 144.97 32.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 25' ' ' HIS . 3.2 mt -96.48 138.94 33.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -53.83 164.96 0.82 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -14.37 21.09 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.528 1.804 . . . . 0.0 110.971 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mtm-85 -97.62 -28.29 14.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' LEU . 9.2 tp -92.27 -45.88 8.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -47.97 -29.54 3.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -91.36 -26.01 19.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.473 ' CD2' HD23 ' A' ' 60' ' ' LEU . 12.4 tp -66.73 -58.77 4.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.3 mt -82.08 -40.06 22.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.88 12.26 28.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.525 1.14 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.8 mt -106.86 128.53 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.451 ' CD2' ' H ' ' A' ' 25' ' ' HIS . 5.4 p80 -86.53 -65.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.608 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.421 ' O ' ' CD ' ' A' ' 27' ' ' GLN . 3.2 m -133.4 117.2 16.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.379 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.476 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -144.94 -174.71 4.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.542 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 46.4 p -80.93 -175.37 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.373 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.607 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.3 tpp85 -78.28 -45.58 2.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.97 -5.85 17.33 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.542 ' CG2' ' OG1' ' A' ' 28' ' ' THR . 40.6 t -99.24 -24.62 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CD1' ' O ' ' A' ' 28' ' ' THR . 26.0 mt -94.4 -52.89 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.6 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.2 tt -45.82 -42.75 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 37' ' ' TRP . 34.2 mm-40 -68.61 -61.12 1.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -41.64 -28.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 5.6 tp -82.97 -48.92 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.6 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 71.8 m95 -52.79 -51.9 58.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.02 -19.74 2.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.281 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.755 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 4.8 t80 -80.25 -47.37 14.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 45' ' ' LEU . 72.6 mt -62.92 -28.03 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.41 ' O ' ' CE ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -81.95 -55.5 4.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.6 m -62.63 -39.89 95.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.755 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.1 m-70 -90.24 4.77 49.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.632 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.41 ' CE ' ' O ' ' A' ' 41' ' ' LYS . 3.0 mmpt? 39.59 59.39 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.45 ' CD1' ' CD1' ' A' ' 60' ' ' LEU . 93.0 mt -81.29 -4.84 56.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.9 OUTLIER -51.69 123.76 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' A' ' 50' ' ' GLU . 33.3 t70 -57.92 130.5 82.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -11.68 21.6 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.459 1.768 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.54 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -88.12 -55.38 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.575 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' A' ' 47' ' ' ASP . 7.6 mm-40 -111.31 173.99 6.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.426 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 25.5 mtt180 -112.14 -2.83 14.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.621 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 1.7 pm0 -108.15 -21.73 12.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.621 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 72.7 m-85 -92.47 167.81 11.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.535 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -145.51 122.12 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.478 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 3.4 mt -80.31 107.39 13.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 12.6 m -55.76 141.21 39.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.312 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.98 177.49 7.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.41 ' HE3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -54.24 -31.85 54.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.41 ' CE1' ' HE3' ' A' ' 58' ' ' LYS . 12.1 m-85 -76.01 -52.84 9.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.473 HD23 ' CD2' ' A' ' 21' ' ' LEU . 93.7 mt -62.6 -39.22 93.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -56.84 -19.44 17.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -99.29 -13.77 19.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.5 mt -101.98 -59.37 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.54 ' CD1' ' HE2' ' A' ' 69' ' ' MET . 45.0 m-85 -77.15 -37.92 52.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 68.23 30.6 5.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.83 97.09 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -45.83 -45.75 15.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 10.2 ttt180 -142.77 124.37 14.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.54 ' HE2' ' CD1' ' A' ' 64' ' ' PHE . 1.2 ptm -139.31 166.31 24.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.584 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -84.43 141.67 30.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.544 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 3.4 m-85 -51.55 -35.95 43.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -11.37 60.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.049 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -96.15 3.35 53.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.4 mm -76.62 -45.35 3.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.98 -11.65 21.52 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.789 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -88.17 -14.75 37.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.418 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -106.62 -15.85 14.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.35 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 82' ' ' LEU . 8.8 mt -65.64 -39.72 91.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -42.59 -32.06 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.088 . . . . 0.0 109.575 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.88 -47.96 27.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' LEU . 15.0 mt -72.59 -9.51 58.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 78' ' ' LEU . 91.6 mt -104.36 112.05 24.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 55.1 mtm -115.78 158.68 41.47 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 117.91 5.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.526 1.803 . . . . 0.0 111.025 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -103.84 154.16 19.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -84.65 133.0 34.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.465 HD22 ' CD1' ' A' ' 32' ' ' ILE . 5.2 mt -86.9 144.78 26.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -54.86 167.47 0.62 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -16.69 20.09 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.491 1.785 . . . . 0.0 110.961 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -96.93 -27.14 14.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.28 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.43 ' C ' ' N ' ' A' ' 20' ' ' ARG . 7.0 tp -92.35 -47.31 7.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.6 -30.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.43 ' N ' ' C ' ' A' ' 18' ' ' LEU . 5.3 ptm180 -94.78 -41.54 9.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.424 ' CD2' HD13 ' A' ' 18' ' ' LEU . 15.2 tp -45.72 -59.97 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.0 mt -85.27 -31.88 22.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.08 8.02 63.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.418 ' CG2' ' HB2' ' A' ' 27' ' ' GLN . 9.8 mt -88.05 102.41 12.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -54.85 -61.21 2.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.579 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 m -157.71 113.35 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.374 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.418 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 1.0 OUTLIER -133.93 -175.56 3.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.527 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 17.8 p -75.11 -177.45 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.429 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.595 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 13.9 ttp85 -78.04 -45.9 2.26 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.98 -5.64 17.05 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.527 ' CG2' ' OG1' ' A' ' 28' ' ' THR . 39.7 t -98.57 -32.81 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.465 ' CD1' HD22 ' A' ' 14' ' ' LEU . 67.8 mt -83.38 -54.18 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.552 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.5 tt -40.77 -41.32 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 37' ' ' TRP . 2.6 mm-40 -67.91 -60.84 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.29 -29.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 6.0 tp -81.26 -50.53 9.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.552 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 78.8 m95 -53.51 -43.82 68.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 107.995 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -62.35 -12.64 22.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.628 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.7 t80 -86.95 -47.77 8.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.458 ' CD1' HG21 ' A' ' 54' ' ' VAL . 29.1 mt -69.01 -21.37 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -84.62 -47.47 10.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -74.04 -44.36 54.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.628 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.8 m-70 -80.98 1.05 32.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.59 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.67 58.82 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.45 ' CD1' HD12 ' A' ' 60' ' ' LEU . 90.0 mt -86.51 3.02 45.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.418 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.2 tt0 -51.42 127.17 19.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.472 ' OD1' ' CG ' ' A' ' 49' ' ' HIS . 61.6 t0 -59.92 125.43 80.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.436 ' HD2' ' OD1' ' A' ' 47' ' ' ASP . 18.4 Cg_endo -74.99 -7.03 18.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.038 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.514 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -91.57 -49.66 6.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.574 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.2 mm-40 -123.76 168.3 12.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.418 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -102.54 -10.73 19.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.608 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -99.17 -21.79 15.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.608 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 66.0 m-85 -93.24 166.98 12.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.589 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -147.88 123.86 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.6 mt -79.49 114.21 18.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 18.5 m -64.12 135.93 56.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 108.283 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.56 177.34 2.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.529 ' HE2' ' CZ ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -52.63 -35.05 53.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.097 . . . . 0.0 109.348 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.529 ' CZ ' ' HE2' ' A' ' 58' ' ' LYS . 30.7 m-85 -76.89 -49.94 14.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.45 HD12 ' CD1' ' A' ' 45' ' ' LEU . 94.5 mt -61.26 -35.91 78.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -64.1 -20.7 66.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -99.21 -13.02 19.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.447 ' CG2' HD12 ' A' ' 81' ' ' LEU . 20.8 mt -101.53 -57.93 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 60' ' ' LEU . 38.2 m-85 -78.05 -37.9 45.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 70.28 30.74 3.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.05 96.68 4.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -44.36 -46.54 9.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.538 ' CZ ' ' CE2' ' A' ' 53' ' ' PHE . 7.2 ttp180 -143.26 123.28 13.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.8 ptm -138.09 160.69 38.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.582 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -77.94 141.27 39.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.589 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 2.5 m-85 -52.26 -29.8 24.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.403 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 9.3 t -76.68 -11.21 59.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -95.96 1.05 52.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.0 mm -74.26 -45.48 6.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -75.01 -11.61 21.46 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.444 1.76 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -92.69 -15.28 26.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -104.42 -15.6 15.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.32 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' LEU . 8.5 mt -67.72 -40.97 84.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -41.6 -35.27 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.561 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.24 -50.84 28.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.447 HD12 ' CG2' ' A' ' 63' ' ' ILE . 19.5 mt -64.84 -21.41 66.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.6 mt -92.73 122.58 35.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 71.1 mtm -120.59 160.2 45.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 116.23 4.53 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.791 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 110.957 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -95.51 154.6 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -88.31 130.23 35.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.465 ' CD2' HD13 ' A' ' 32' ' ' ILE . 5.7 mt -79.5 147.23 32.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -58.29 167.7 1.56 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -17.46 19.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.453 1.765 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mtm-85 -97.12 -26.66 14.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' C ' ' N ' ' A' ' 20' ' ' ARG . 6.8 tp -92.14 -46.56 7.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.86 -31.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 18' ' ' LEU . 2.1 mtp-105 -94.36 -46.29 7.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.7 tp -40.64 -59.99 1.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.6 mt -83.74 -39.79 19.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.7 9.61 45.92 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.586 1.178 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.419 ' CG2' HD13 ' A' ' 14' ' ' LEU . 4.5 mt -92.26 107.97 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 0.764 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -59.43 -64.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 m -152.07 115.61 4.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 110.402 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.46 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -137.4 -171.52 2.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.477 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 74.3 p -81.72 -168.76 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.435 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.625 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 8.5 ttp-105 -83.28 -43.99 0.84 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.03 -7.92 19.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.527 1.804 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.46 HG11 ' CG ' ' A' ' 27' ' ' GLN . 34.5 t -100.85 -27.01 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.465 HD13 ' CD2' ' A' ' 14' ' ' LEU . 89.9 mt -88.6 -42.83 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.473 ' HB ' ' O ' ' A' ' 29' ' ' ARG . 1.7 tt -56.31 -42.09 72.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' TRP . 30.0 mm-40 -64.13 -63.4 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.241 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.43 -29.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.534 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 6.0 tp -80.34 -51.09 9.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.471 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 78.6 m95 -53.09 -44.99 68.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 107.974 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -60.08 -14.23 15.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.56 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.2 t80 -86.45 -47.35 9.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 111.038 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.453 ' CD1' HG21 ' A' ' 54' ' ' VAL . 62.5 mt -69.38 -22.85 25.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.8 -47.72 11.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.0 m -73.59 -43.5 59.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.418 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.56 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.2 m-70 -82.84 1.34 39.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.596 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' HIS . 1.5 mmpt? 39.51 59.94 1.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.469 ' CD1' HD13 ' A' ' 60' ' ' LEU . 83.9 mt -84.3 0.83 47.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.428 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.1 tt0 -52.11 126.73 19.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 50' ' ' GLU . 28.3 t70 -58.91 129.12 85.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -17.35 19.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.512 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -79.3 -54.99 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.644 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.8 mm-40 -108.3 -174.13 2.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.428 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 6.3 mmt180 -120.52 -6.67 9.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.584 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 7.0 pm0 -111.76 -10.52 14.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.584 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 38.0 m-85 -95.37 165.4 12.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.535 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -143.76 117.69 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 68' ' ' ARG . 14.2 mt -77.82 102.15 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 32.7 m -52.64 137.51 30.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 108.315 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -179.13 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.559 ' HE3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -56.55 -32.63 65.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.559 ' CE1' ' HE3' ' A' ' 58' ' ' LYS . 12.7 m-30 -74.28 -55.32 6.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.469 HD13 ' CD1' ' A' ' 45' ' ' LEU . 88.8 mt -60.81 -38.16 84.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -57.07 -20.81 27.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.26 -13.96 19.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.428 ' CG2' HD11 ' A' ' 81' ' ' LEU . 12.2 mt -101.71 -64.38 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.536 ' CE2' ' HB3' ' A' ' 77' ' ' ARG . 30.3 m-85 -71.46 -35.66 70.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 66.86 30.17 7.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.02 95.07 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.042 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -43.84 -47.09 8.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.469 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . 6.8 ttp180 -143.65 122.76 12.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.254 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.96 168.15 20.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -87.67 143.91 26.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.535 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 4.2 m-85 -53.27 -24.57 11.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.8 m -80.38 -11.35 59.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.034 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -96.48 1.64 51.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.1 mm -74.8 -45.05 5.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.01 -12.86 21.5 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.487 1.783 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -93.43 -14.53 26.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.536 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -104.05 -12.88 16.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 81' ' ' LEU . 8.8 mt -70.8 -41.93 70.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -40.83 -36.88 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.619 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.15 -49.23 52.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 78' ' ' LEU . 14.7 mt -66.71 -17.42 64.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 78' ' ' LEU . 63.5 mt -95.81 121.44 37.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 75.6 mtm -119.55 159.21 46.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.42 3.79 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.533 1.807 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.517 1.799 . . . . 0.0 111.053 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.406 ' O ' ' CG ' ' A' ' 85' ' ' PRO . 13.5 mt-30 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.419 ' CE2' ' NH2' ' A' ' 29' ' ' ARG . 53.1 m-85 -99.7 146.89 26.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -80.71 131.06 35.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mt -83.78 143.96 29.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -55.27 166.08 0.96 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -16.7 20.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -97.29 -26.83 14.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 21' ' ' LEU . 7.2 tp -92.41 -45.56 8.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -45.32 -29.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.13 -29.66 15.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' LEU . 11.7 tp -60.12 -61.17 2.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.7 mt -83.21 -33.02 26.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.21 16.26 53.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 27' ' ' GLN . 5.5 mt -97.46 100.76 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -50.99 -64.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.566 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.5 m -155.0 115.17 3.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.436 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.466 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 0.8 OUTLIER -133.06 -168.76 2.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.519 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 17.7 p -84.36 -177.89 6.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.577 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -76.22 -46.58 3.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 110.288 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -74.96 -5.6 17.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.519 ' CG2' ' OG1' ' A' ' 28' ' ' THR . 40.5 t -99.22 -29.17 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.503 ' CD1' ' O ' ' A' ' 28' ' ' THR . 22.8 mt -87.64 -54.79 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.603 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.1 tt -41.85 -45.11 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' ALA . 15.6 mm-40 -65.24 -61.25 2.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.63 -42.61 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.241 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 5.7 tp -67.91 -50.6 55.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.603 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 62.0 m95 -52.53 -42.02 63.99 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -62.62 -12.08 20.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.57 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 6.0 t80 -87.39 -47.48 8.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.425 ' CD1' HG23 ' A' ' 54' ' ' VAL . 26.2 mt -70.3 -20.85 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -84.5 -46.05 12.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 m -75.97 -44.03 41.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.358 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.57 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.0 m-70 -81.69 2.09 31.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.62 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 43' ' ' HIS . 1.4 mtpt 38.8 58.61 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.468 ' CD1' HD12 ' A' ' 60' ' ' LEU . 90.0 mt -85.74 4.2 37.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.57 133.23 30.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 50' ' ' GLU . 22.9 t70 -66.44 126.98 93.06 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -15.07 21.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.477 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.6 OUTLIER -81.29 -56.08 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.609 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.462 ' O ' ' O ' ' A' ' 47' ' ' ASP . 3.1 mm-40 -111.75 -175.62 2.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -116.16 -19.69 10.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.596 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 9.9 pm0 -96.06 -16.14 21.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.596 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 56.2 m-85 -93.85 166.96 11.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.602 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -148.36 127.77 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.466 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 4.1 mt -83.3 115.63 22.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 60' ' ' LEU . 11.1 m -70.99 127.0 31.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.279 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.49 -178.82 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -49.77 -57.37 7.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.534 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 3.9 m-30 -51.69 -58.18 7.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.468 HD12 ' CD1' ' A' ' 45' ' ' LEU . 95.9 mt -54.96 -44.14 74.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -57.24 -18.58 16.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -99.42 -13.72 19.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.468 ' CG2' HD22 ' A' ' 81' ' ' LEU . 65.7 mt -102.22 -60.1 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.571 ' CD1' ' HE2' ' A' ' 69' ' ' MET . 37.0 m-85 -76.93 -36.42 56.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 67.92 30.02 6.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.81 95.91 4.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.977 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.52 -44.84 26.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.466 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 15.4 ttt180 -139.88 122.33 16.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.571 ' HE2' ' CD1' ' A' ' 64' ' ' PHE . 0.9 OUTLIER -139.44 166.12 25.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.573 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -86.93 142.63 27.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.602 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 2.1 m-85 -52.55 -29.01 23.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.412 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 0.3 OUTLIER -78.75 -11.54 59.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.946 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -95.42 -1.13 51.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.3 mm -72.11 -45.85 11.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.99 -12.2 21.52 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.521 1.8 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -85.54 -19.36 31.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.341 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -102.67 -21.12 14.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 82' ' ' LEU . 7.3 mt -60.18 -43.28 95.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -43.15 -34.72 1.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.564 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.08 -45.22 58.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.468 HD22 ' CG2' ' A' ' 63' ' ' ILE . 11.0 mt -72.36 -14.01 61.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 78' ' ' LEU . 49.6 mt -101.08 112.65 25.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 75.5 mtm -113.37 160.13 32.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 113.98 3.92 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.406 ' CG ' ' O ' ' A' ' 11' ' ' GLN . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -105.1 147.38 27.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 ttpp -79.47 131.5 36.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 mt -84.51 142.87 29.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -53.79 166.67 0.58 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -15.39 20.74 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 110.972 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.9 mtm-85 -97.1 -28.55 14.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.446 ' C ' ' N ' ' A' ' 20' ' ' ARG . 8.1 tp -91.73 -47.57 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.97 -30.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.446 ' N ' ' C ' ' A' ' 18' ' ' LEU . 9.6 mtp180 -94.18 -48.07 6.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.349 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.7 tp -41.2 -61.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.9 mt -82.31 -34.04 28.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.27 6.54 62.85 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.463 1.102 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 mt -87.07 107.4 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -59.5 -61.29 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.611 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.8 m -157.14 111.08 2.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.402 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.487 ' CG ' HG13 ' A' ' 31' ' ' VAL . 1.2 mp0 -127.47 -170.9 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.496 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 81.9 p -82.91 -169.1 2.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.623 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 17.6 ttp180 -83.37 -44.11 0.83 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.99 -6.26 17.84 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.487 HG13 ' CG ' ' A' ' 27' ' ' GLN . 20.5 t -100.58 -33.87 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 28' ' ' THR . 58.3 mt -79.16 -43.93 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.227 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.601 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.2 tt -55.17 -41.51 60.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' TRP . 63.6 mm-40 -69.81 -62.87 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.43 -30.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 5.4 tp -80.63 -51.69 8.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 57.3 m95 -51.95 -45.84 64.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 108.021 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -58.06 -16.1 11.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.639 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.1 t80 -84.43 -46.8 11.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.427 ' CD1' HG22 ' A' ' 54' ' ' VAL . 65.4 mt -66.91 -24.11 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 0.0 109.354 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -84.5 -50.41 7.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.8 m -68.66 -39.7 80.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.639 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.2 m-70 -88.84 -2.22 58.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.616 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.8 mttt 43.68 58.69 3.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.464 ' CD1' HD13 ' A' ' 60' ' ' LEU . 53.3 mt -82.39 1.99 34.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.1 tt0 -51.49 128.14 22.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' A' ' 50' ' ' GLU . 33.4 t70 -63.06 130.23 93.99 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.73 20.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.548 1.815 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.516 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -83.44 -57.22 3.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.6 mm-40 -111.22 167.34 10.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.421 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 1.3 mmt-85 -104.82 -5.56 21.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.59 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 10.3 pm0 -104.99 -22.78 13.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.59 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 61.0 m-85 -90.48 167.8 12.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.522 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -146.45 120.49 2.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.464 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 6.9 mt -78.1 116.7 18.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.0 m -69.21 138.14 53.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 108.282 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -72.89 166.99 21.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.507 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -41.21 -41.65 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.507 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 12.3 m-85 -65.48 -63.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' ' 45' ' ' LEU . 83.8 mt -53.0 -40.19 63.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -57.86 -19.95 32.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -98.96 -12.8 20.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.401 ' CG2' HD22 ' A' ' 81' ' ' LEU . 47.7 mt -101.75 -63.02 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.563 ' CZ ' HD11 ' A' ' 81' ' ' LEU . 27.2 m-85 -73.22 -36.59 66.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 69.88 30.07 3.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.348 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.31 91.97 3.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.2 -45.22 16.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.464 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 17.7 ttt180 -138.85 122.06 16.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.514 ' HE2' ' CD1' ' A' ' 64' ' ' PHE . 0.3 OUTLIER -139.13 166.41 24.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 111.036 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -88.18 143.83 26.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 2.6 m-85 -52.68 -25.92 12.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.416 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 48.1 t -82.74 -11.56 58.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -95.86 1.49 53.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.623 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.5 mm -76.42 -45.64 3.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.94 -12.07 21.62 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.472 1.775 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -92.05 -16.55 26.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.344 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.453 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -101.71 -16.32 16.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 82' ' ' LEU . 8.5 mt -65.58 -42.28 91.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -39.96 -37.54 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.572 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.94 -51.72 36.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.563 HD11 ' CZ ' ' A' ' 64' ' ' PHE . 11.9 mt -65.85 -18.91 65.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 78' ' ' LEU . 89.0 mt -95.29 119.8 34.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 73.7 mtm -118.92 159.91 42.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 116.12 4.49 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.416 1.746 . . . . 0.0 111.042 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -111.74 156.26 22.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -90.68 130.92 36.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.486 HD23 ' CG2' ' A' ' 32' ' ' ILE . 5.2 mt -81.89 146.76 29.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -58.83 167.55 1.85 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -16.39 20.21 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 110.974 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -97.1 -27.28 14.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.443 ' C ' ' N ' ' A' ' 20' ' ' ARG . 6.4 tp -92.34 -47.67 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.38 -30.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.443 ' N ' ' C ' ' A' ' 18' ' ' LEU . 1.7 ptm180 -95.13 -39.81 9.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.461 ' CD2' HD22 ' A' ' 60' ' ' LEU . 10.9 tp -48.12 -60.86 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.5 mt -83.55 -34.72 25.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.83 15.5 52.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.3 mt -96.17 99.66 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.761 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -49.95 -66.51 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.625 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.421 ' O ' ' CD ' ' A' ' 27' ' ' GLN . 2.7 m -151.72 121.07 6.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.505 ' CG ' ' CG1' ' A' ' 31' ' ' VAL . 1.5 mp0 -142.55 -167.59 2.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.437 ' OG1' ' HB ' ' A' ' 31' ' ' VAL . 46.6 p -85.35 -166.78 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.36 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.585 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 12.4 ttp85 -83.66 -46.42 0.78 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.99 -6.81 18.53 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.439 1.757 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.505 ' CG1' ' CG ' ' A' ' 27' ' ' GLN . 44.2 t -101.04 -22.51 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.486 ' CG2' HD23 ' A' ' 14' ' ' LEU . 86.7 mt -97.36 -40.47 10.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.467 ' HB ' ' O ' ' A' ' 29' ' ' ARG . 3.1 tt -58.73 -40.58 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -65.65 -58.95 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.39 -27.31 0.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.487 HD23 ' CG2' ' A' ' 74' ' ' ILE . 5.4 tp -82.51 -47.43 12.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.441 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 60.9 m95 -55.06 -43.38 73.78 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.02 -14.6 49.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.738 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 6.5 t80 -84.06 -45.5 12.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.9 mt -67.13 -24.87 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -84.13 -49.07 9.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.6 m -69.62 -37.3 76.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.376 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.738 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 5.4 m170 -92.22 1.07 57.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 43' ' ' HIS . 8.2 mttt 39.62 59.53 1.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.46 ' CD1' HD11 ' A' ' 60' ' ' LEU . 80.1 mt -84.97 1.25 48.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.427 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.2 tt0 -51.65 129.72 26.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 50' ' ' GLU . 26.7 t70 -64.45 128.18 93.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -11.45 21.6 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.493 1.786 . . . . 0.0 111.047 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.581 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -83.27 -51.37 7.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.561 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.462 ' O ' ' O ' ' A' ' 47' ' ' ASP . 3.1 mm-40 -116.76 -174.23 2.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.427 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.27 -15.59 9.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.311 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.618 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 6.5 pm0 -98.79 -22.56 15.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.618 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 54.5 m-85 -87.0 166.33 15.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.564 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -147.83 121.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.478 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 2.6 mt -81.8 115.47 21.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.2 m -65.46 139.0 58.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 108.272 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.71 -177.55 1.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.457 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 1.6 ptpt -57.19 -39.47 75.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.457 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 14.1 m-85 -68.31 -53.18 26.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 64' ' ' PHE . 95.8 mt -61.33 -41.9 97.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -55.32 -18.77 7.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -99.03 -15.29 19.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.439 HG23 ' CD2' ' A' ' 81' ' ' LEU . 8.9 mt -101.59 -59.64 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.496 ' CD1' ' HE1' ' A' ' 69' ' ' MET . 38.4 m-85 -76.35 -39.47 53.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 68.91 30.17 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.12 94.13 4.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -45.34 -44.85 12.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 13.0 ttt180 -143.99 123.57 13.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.496 ' HE1' ' CD1' ' A' ' 64' ' ' PHE . 0.3 OUTLIER -139.31 166.25 25.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.944 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.591 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -86.97 142.72 27.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.615 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 3.2 m-85 -53.78 -20.23 5.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.1 -11.69 56.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -97.53 0.84 48.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.629 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 3.1 mm -74.65 -44.94 5.46 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.0 -13.76 21.32 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -93.45 -16.61 24.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.86 -18.61 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 82' ' ' LEU . 7.2 mt -64.64 -39.59 93.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -43.39 -38.07 2.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.594 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.22 -47.91 72.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.491 HD11 ' CZ ' ' A' ' 64' ' ' PHE . 13.6 mt -70.41 -20.27 62.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 78' ' ' LEU . 81.7 mt -92.39 120.01 32.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.408 ' CE ' ' HA ' ' A' ' 15' ' ' ASP . 30.9 mtm -117.38 158.24 45.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 115.67 4.36 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -115.13 145.79 42.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 tmmt? -79.74 126.56 31.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mt -79.03 143.74 35.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -55.75 167.14 0.86 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -15.35 20.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.542 1.812 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -97.5 -27.98 14.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.438 ' C ' ' N ' ' A' ' 20' ' ' ARG . 6.8 tp -92.11 -47.71 7.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.94 -30.74 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.438 ' N ' ' C ' ' A' ' 18' ' ' LEU . 3.9 ptm180 -95.13 -40.99 9.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.424 ' CD2' HD12 ' A' ' 18' ' ' LEU . 12.8 tp -45.07 -60.15 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.3 mt -84.72 -35.85 22.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.19 -0.42 57.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.6 mt -82.2 109.88 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -61.29 -64.38 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.567 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -152.28 114.13 4.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.399 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.443 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -132.99 -169.61 2.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.427 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 76.7 p -83.59 -168.25 2.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.604 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 6.1 ttp-105 -84.07 -45.2 0.76 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -75.04 -5.78 17.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.534 1.807 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.443 HG11 ' CG ' ' A' ' 27' ' ' GLN . 31.2 t -100.84 -30.75 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.1 mt -85.37 -51.06 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.486 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.4 tt -46.04 -45.04 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 37' ' ' TRP . 4.8 mm-40 -64.66 -60.64 2.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.09 -29.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.581 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 6.0 tp -80.92 -51.16 8.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.486 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 86.8 m95 -52.41 -46.23 66.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 108.028 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -59.64 -14.75 15.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.263 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.589 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.1 t80 -86.41 -48.53 8.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.7 mt -66.51 -22.3 29.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -85.29 -50.82 7.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.234 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.0 m -69.63 -39.8 76.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.433 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.589 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 5.9 m-70 -88.61 4.66 46.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' HIS . 9.6 mmtt 40.18 59.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.244 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.542 ' CD1' ' CD1' ' A' ' 60' ' ' LEU . 81.1 mt -81.9 -4.12 55.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.9 OUTLIER -51.91 126.3 17.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.278 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 50' ' ' GLU . 32.7 t70 -59.67 130.8 88.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.27 21.48 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.519 1.799 . . . . 0.0 111.032 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.563 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -85.13 -54.68 4.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.58 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.457 ' O ' ' O ' ' A' ' 47' ' ' ASP . 5.8 mm-40 -110.56 -175.7 2.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.42 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.1 -13.82 9.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.614 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 1.3 pm0 -100.99 -19.67 15.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.614 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 55.2 m-85 -89.61 166.25 13.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.573 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -145.9 122.68 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.445 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 6.3 mt -81.71 111.63 18.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 33.7 m -64.62 134.06 53.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 108.333 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.36 -179.49 2.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -51.8 -45.9 64.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.526 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 4.3 m-30 -62.41 -61.4 2.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.542 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 98.4 mt -52.23 -41.88 63.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -57.3 -19.19 20.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -99.29 -14.28 19.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.406 HG22 ' CD2' ' A' ' 81' ' ' LEU . 13.1 mt -101.67 -60.06 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.567 ' CD1' ' HE3' ' A' ' 69' ' ' MET . 40.9 m-85 -77.62 -40.87 40.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 70.81 30.24 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.243 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.23 94.65 4.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -41.83 -47.24 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.463 ' NE ' ' CD2' ' A' ' 53' ' ' PHE . 8.1 ttp180 -147.33 124.18 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.567 ' HE3' ' CD1' ' A' ' 64' ' ' PHE . 0.8 OUTLIER -138.15 163.33 31.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.573 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -82.07 142.57 32.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.9 m-85 -52.43 -28.57 20.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 38.8 t -76.41 -12.56 60.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -96.07 3.56 53.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.3 mm -74.92 -45.99 4.97 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.02 -10.86 21.36 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.553 1.817 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -91.05 -18.67 24.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -101.56 -23.43 14.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' LEU . 7.3 mt -59.11 -37.71 77.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -46.55 -28.26 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.614 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.81 -45.49 28.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.563 HD12 ' CZ ' ' A' ' 64' ' ' PHE . 11.8 mt -75.08 -10.54 59.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 78' ' ' LEU . 83.7 mt -103.69 117.27 33.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 28.7 mtm -118.35 158.54 46.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 114.31 4.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.498 1.788 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.53 1.805 . . . . 0.0 110.985 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -104.58 146.38 28.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 ttpp -80.74 129.54 34.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.448 ' CD2' HD21 ' A' ' 82' ' ' LEU . 4.5 mt -83.42 143.5 30.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -53.01 167.37 0.41 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -17.55 19.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.772 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -96.67 -26.74 15.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.442 ' C ' ' N ' ' A' ' 20' ' ' ARG . 7.2 tp -92.14 -47.69 7.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.91 -30.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.358 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.442 ' N ' ' C ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -95.08 -46.31 6.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.424 ' CD2' HD22 ' A' ' 60' ' ' LEU . 14.5 tp -40.48 -58.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.5 mt -86.59 -35.14 19.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.83 12.98 54.87 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.404 ' CG2' ' HB2' ' A' ' 27' ' ' GLN . 10.7 mt -93.39 104.78 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 0.777 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -58.84 -60.14 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.583 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.2 m -156.99 112.32 2.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 110.432 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.455 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -132.18 -170.16 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.536 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 34.2 p -82.24 -176.06 5.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.455 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.609 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 3.6 ttt-85 -78.92 -44.8 1.81 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.04 -6.21 17.74 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.466 1.772 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.536 ' CG2' ' OG1' ' A' ' 28' ' ' THR . 42.3 t -99.13 -33.1 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.3 mt -82.32 -55.43 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.569 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.1 tt -41.01 -44.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 37' ' ' TRP . 14.2 mt-30 -67.35 -59.53 3.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.75 -30.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.515 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 5.9 tp -81.76 -51.54 8.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.569 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 85.5 m95 -51.91 -45.14 64.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 108.008 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -59.29 -14.76 12.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.584 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.4 t80 -86.18 -47.54 9.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.431 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 41.9 mt -67.42 -24.1 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -82.78 -50.75 8.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.4 m -69.66 -43.55 72.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.584 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 5.7 m-70 -84.75 3.98 34.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.604 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.2 mttt 41.03 58.35 2.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.464 ' CD1' HD12 ' A' ' 60' ' ' LEU . 91.2 mt -79.44 -3.33 46.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.9 OUTLIER -51.32 123.42 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' A' ' 50' ' ' GLU . 36.2 t70 -59.58 132.22 88.54 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -14.51 21.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.451 1.763 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.568 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -84.43 -57.08 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.587 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.458 ' O ' ' O ' ' A' ' 47' ' ' ASP . 6.7 mm-40 -113.38 173.24 6.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.442 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -107.06 -13.78 15.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.597 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 4.8 pm0 -97.14 -20.76 17.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.346 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.597 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 58.0 m-85 -91.04 167.52 12.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.602 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -148.02 122.25 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.414 ' CD2' ' OD1' ' A' ' 47' ' ' ASP . 6.0 mt -78.54 108.45 11.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 20.8 m -62.49 128.88 38.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 108.291 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -178.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -54.74 -47.12 74.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.529 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 4.1 m-30 -61.02 -56.39 21.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.464 HD12 ' CD1' ' A' ' 45' ' ' LEU . 90.7 mt -56.2 -42.72 77.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -56.11 -17.88 8.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -99.01 -15.08 19.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.422 HG22 ' CD2' ' A' ' 81' ' ' LEU . 13.3 mt -101.67 -58.5 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.484 ' CD1' ' HE2' ' A' ' 69' ' ' MET . 38.7 m-85 -78.07 -40.38 38.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 69.46 30.78 3.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.04 94.82 4.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -42.01 -47.64 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.264 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.547 ' NE ' ' CD2' ' A' ' 53' ' ' PHE . 6.0 ttp180 -142.51 123.13 14.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.484 ' HE2' ' CD1' ' A' ' 64' ' ' PHE . 2.0 ptm -138.15 162.05 35.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -80.18 140.46 36.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.602 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 2.3 m-85 -51.62 -32.2 28.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 t -73.64 -12.29 60.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -95.85 3.49 53.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.422 1.076 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.616 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.1 mm -75.19 -45.95 4.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.0 -11.47 21.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.46 1.768 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -88.62 -17.26 30.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.438 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -104.8 -16.88 14.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' LEU . 8.9 mt -66.0 -42.78 89.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 75' ' ' PRO . 98.4 m-70 -42.56 -34.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.6 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.89 -47.01 55.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 78' ' ' LEU . 16.3 mt -70.74 -17.58 62.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' LEU . 61.5 mt -97.36 110.21 22.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 50.2 mtm -110.19 159.04 33.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 113.55 3.82 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.022 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 29' ' ' ARG . 15.9 m-85 -102.04 151.66 21.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -92.15 131.12 37.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.451 ' CD1' HG22 ' A' ' 24' ' ' ILE . 3.8 mt -81.97 146.14 29.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.6 167.37 1.38 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.232 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.61 20.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.85 -27.76 14.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.441 ' C ' ' N ' ' A' ' 20' ' ' ARG . 7.3 tp -92.1 -47.45 7.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.31 -31.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.441 ' N ' ' C ' ' A' ' 18' ' ' LEU . 2.7 mpt_? -93.92 -48.81 6.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' ARG . 10.6 tp -39.96 -59.79 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.1 mt -83.6 -32.7 25.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.04 -9.87 63.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.451 HG22 ' CD1' ' A' ' 14' ' ' LEU . 35.7 mt -71.4 135.12 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -90.42 -64.37 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.578 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 m -158.16 136.56 11.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 110.38 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.434 ' NE2' HG23 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -175.15 -166.97 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.258 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.544 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 14.9 p -64.98 175.01 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.666 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 7.7 ttp-105 -78.62 -41.07 1.78 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.1 -4.62 15.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.544 ' CG2' ' OG1' ' A' ' 28' ' ' THR . 19.8 t -97.65 -19.18 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.433 ' CD1' ' O ' ' A' ' 28' ' ' THR . 5.6 mt -101.26 -44.19 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.53 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.4 tt -51.54 -42.11 28.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.425 ' N ' HG21 ' A' ' 33' ' ' ILE . 24.8 mm-40 -63.5 -47.24 82.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.436 ' CB ' ' CD1' ' A' ' 24' ' ' ILE . . . -55.64 -24.46 33.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.603 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 6.0 tp -85.96 -47.14 9.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.53 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 95.4 m95 -55.49 -42.29 74.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 108.033 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -67.4 -15.1 63.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.735 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 8.0 t80 -85.05 -44.69 12.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.443 HG22 ' CG2' ' A' ' 54' ' ' VAL . 30.9 mt -69.5 -25.25 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.48 -49.8 10.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m -68.74 -43.92 74.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.735 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 5.6 m-70 -82.41 -1.72 50.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.62 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt 47.5 57.08 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.463 ' CD1' HD13 ' A' ' 60' ' ' LEU . 90.0 mt -81.59 -5.49 58.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.427 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.9 OUTLIER -51.51 125.88 15.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.44 ' O ' ' O ' ' A' ' 50' ' ' GLU . 36.8 t70 -59.57 132.02 88.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -12.99 21.53 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.782 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.566 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -85.58 -54.64 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.585 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 47' ' ' ASP . 2.8 mm-40 -110.76 -174.21 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.427 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.13 -18.46 9.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 110.334 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.617 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 6.4 pm0 -95.73 -23.6 16.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.617 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 52.1 m-85 -85.48 165.44 17.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.587 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -145.64 124.34 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.436 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 6.2 mt -82.98 100.45 10.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 60.4 m -51.83 141.14 17.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 108.325 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.06 174.15 11.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.494 ' HE2' ' CZ ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -48.71 -33.28 9.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.494 ' CZ ' ' HE2' ' A' ' 58' ' ' LYS . 14.3 m-85 -73.73 -62.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 45' ' ' LEU . 89.4 mt -54.26 -38.62 66.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -57.58 -19.85 28.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -99.4 -12.81 19.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.42 HG22 ' CD2' ' A' ' 81' ' ' LEU . 19.9 mt -101.92 -58.98 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' LEU . 31.2 m-85 -77.02 -36.21 56.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 68.59 30.49 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.93 98.29 5.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -48.74 -43.29 37.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.436 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 15.3 ttt180 -144.09 122.07 12.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.97 168.24 20.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.617 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -88.75 142.58 27.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.587 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.0 m-85 -55.97 -23.92 35.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.62 -13.9 59.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.37 7.33 46.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.606 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 1.4 mm -75.71 -46.23 4.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.97 -11.28 21.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.23 -17.52 23.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -102.98 -23.35 13.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.352 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 82' ' ' LEU . 6.7 mt -60.54 -39.66 88.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -41.02 -34.1 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.28 -50.92 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 78' ' ' LEU . 17.3 mt -67.84 -15.44 63.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 78' ' ' LEU . 82.9 mt -99.39 113.23 25.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 44.6 mtm -115.87 159.17 40.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 114.55 4.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.708 ' CZ ' ' CZ ' ' A' ' 29' ' ' ARG . 52.1 m-85 -101.17 148.71 24.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -77.99 132.98 38.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.51 ' CD1' ' O ' ' A' ' 24' ' ' ILE . 3.9 mt -85.41 144.74 27.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.513 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -54.63 162.12 1.88 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -16.2 20.19 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.772 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -97.46 -27.62 14.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 19' ' ' ALA . 6.8 tp -92.35 -45.81 8.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -38.49 -35.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -90.45 -47.82 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.257 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 20' ' ' ARG . 12.5 tp -40.16 -55.02 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.7 mt -87.14 -36.8 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.09 -16.88 38.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.51 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 85.3 mt -84.77 120.58 35.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.565 0.803 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -89.05 -36.6 15.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.576 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.466 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 9.2 m -146.86 139.14 24.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.38 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 26' ' ' THR . 1.5 tp-100 -175.44 -177.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.48 ' HB ' ' HD2' ' A' ' 30' ' ' PRO . 74.3 p -76.64 -170.01 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.458 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.708 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 4.3 tpp180 -84.49 -43.51 0.72 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.95 -9.98 21.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.431 1.753 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.464 ' CG1' ' HG2' ' A' ' 27' ' ' GLN . 77.6 t -101.49 -14.48 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CD1' HD21 ' A' ' 14' ' ' LEU . 42.4 mt -100.34 -36.3 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.551 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.0 OUTLIER -65.7 -43.91 93.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.439 ' N ' HG22 ' A' ' 33' ' ' ILE . 57.7 mm-40 -65.21 -58.54 5.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.87 -30.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.597 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 5.9 tp -81.59 -52.05 7.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.551 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 93.6 m95 -52.28 -45.56 65.52 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -14.3 17.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.503 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 5.4 t80 -86.19 -49.12 7.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.2 mt -68.11 -25.43 31.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -51.27 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.3 m -68.82 -44.29 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.408 ' CD2' ' O ' ' A' ' 39' ' ' TYR . 6.1 m-70 -83.05 0.5 44.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 109.609 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 mttt 40.45 59.41 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.466 ' CD1' HD13 ' A' ' 60' ' ' LEU . 85.3 mt -85.25 2.83 42.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.08 134.32 32.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.262 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' A' ' 50' ' ' GLU . 23.2 t70 -66.86 128.67 93.96 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.73 20.06 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.513 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -78.09 -53.69 7.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.619 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.443 ' O ' ' O ' ' A' ' 47' ' ' ASP . 9.0 mm-40 -111.79 -173.18 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.62 -10.27 10.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.574 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 9.6 pm0 -108.0 -15.64 14.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.574 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 36.5 m-85 -90.28 165.31 13.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.597 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -144.81 124.7 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 68' ' ' ARG . 10.4 mt -81.98 105.12 12.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.7 m -58.68 131.3 50.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 108.332 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.1 178.06 2.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.471 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 2.2 ptpt -53.33 -33.16 52.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.471 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 14.7 m-85 -72.44 -56.07 6.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.466 HD13 ' CD1' ' A' ' 45' ' ' LEU . 90.8 mt -60.64 -35.93 77.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -59.39 -19.85 50.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.098 . . . . 0.0 110.312 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -99.34 -13.63 19.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.459 HG23 ' CD2' ' A' ' 81' ' ' LEU . 11.8 mt -102.1 -61.98 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 77' ' ' ARG . 36.8 m-85 -76.38 -36.93 57.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 66.4 31.08 8.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 110.329 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.13 94.07 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -40.37 -48.33 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.475 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . 4.5 ttp180 -147.24 122.75 10.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.411 ' SD ' HD11 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.01 167.64 21.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 110.983 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -83.65 142.31 30.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.597 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.7 m-85 -52.3 -28.54 19.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 t -74.35 -12.98 60.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.973 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -95.56 5.71 50.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.597 ' CG2' ' CD2' ' A' ' 36' ' ' LEU . 1.6 mm -76.54 -46.88 3.25 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.1 Cg_endo -74.98 -11.46 21.52 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.496 1.787 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -91.56 -13.88 31.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.505 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -108.23 -11.77 15.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.281 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 81' ' ' LEU . 9.8 mt -73.57 -41.64 62.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.416 ' CD2' ' O ' ' A' ' 75' ' ' PRO . 96.8 m-70 -41.19 -36.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.62 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.53 -49.28 42.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.459 ' CD2' HG23 ' A' ' 63' ' ' ILE . 38.3 mt -65.07 -12.11 47.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.6 mt -101.24 122.89 44.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 61.8 mtm -123.35 160.51 50.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 113.56 3.82 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 111.009 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -106.74 151.14 25.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -84.82 126.42 33.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.473 HD22 ' CD1' ' A' ' 32' ' ' ILE . 4.8 mt -78.91 144.66 34.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.47 167.14 1.39 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.16 20.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.798 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -96.89 -27.41 14.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 21' ' ' LEU . 7.8 tp -92.46 -47.55 7.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -44.82 -28.74 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.58 -30.12 13.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.458 ' CD2' HD22 ' A' ' 60' ' ' LEU . 14.4 tp -58.85 -61.4 2.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.4 mt -81.48 -34.08 31.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.16 17.3 43.76 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.9 mt -100.26 105.69 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -53.67 -67.04 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.612 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 m -151.3 121.37 7.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.493 ' CG ' ' CG1' ' A' ' 31' ' ' VAL . 1.9 mp0 -138.96 -171.31 3.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.553 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 36.2 p -81.44 -167.29 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.576 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 11.0 ttp180 -83.61 -47.22 0.77 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.01 -4.51 15.52 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.553 ' CG2' ' OG1' ' A' ' 28' ' ' THR . 47.0 t -100.83 -23.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.473 ' CD1' HD22 ' A' ' 14' ' ' LEU . 92.4 mt -95.66 -47.75 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.519 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.3 tt -48.94 -45.59 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 37' ' ' TRP . 7.8 mm100 -64.88 -61.18 2.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.52 -31.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.499 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.9 tp -78.55 -50.68 11.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.519 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 84.1 m95 -52.86 -46.33 67.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -58.41 -15.53 11.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.616 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.2 t80 -85.07 -47.62 10.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.419 HG22 ' CG2' ' A' ' 54' ' ' VAL . 47.9 mt -67.34 -24.42 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.24 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.77 -50.41 8.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.4 m -69.51 -43.82 72.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.386 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.616 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.9 m-70 -82.94 -3.38 57.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.61 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.2 mttt 44.69 58.13 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 60' ' ' LEU . 33.0 mt -82.23 0.83 39.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -51.4 131.55 28.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 50' ' ' GLU . 31.0 t70 -65.77 129.96 94.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -16.39 20.3 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.537 1.809 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.54 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -81.15 -55.56 4.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.572 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' A' ' 47' ' ' ASP . 3.5 mm-40 -109.04 -174.77 2.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.417 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -119.13 -16.21 9.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.592 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 7.9 pm0 -99.05 -19.81 17.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.592 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 53.0 m-85 -89.22 169.09 11.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.587 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 1.3 p -149.41 123.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.472 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 4.1 mt -80.76 114.55 19.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.5 m -63.89 141.72 58.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.52 173.74 12.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.495 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 4.8 ptpt -45.67 -41.0 9.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.495 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 11.3 m-85 -68.23 -62.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.981 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.458 HD22 ' CD2' ' A' ' 21' ' ' LEU . 78.4 mt -51.94 -40.34 60.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -58.06 -20.44 39.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.84 -13.16 20.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.427 ' CG2' HD22 ' A' ' 81' ' ' LEU . 25.1 mt -101.94 -60.82 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.537 ' CD1' ' HE2' ' A' ' 69' ' ' MET . 37.7 m-85 -75.08 -36.98 61.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.95 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 68.86 30.34 4.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.89 100.74 6.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -51.27 -43.16 61.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.472 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 11.9 ttt180 -141.65 122.96 14.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.537 ' HE2' ' CD1' ' A' ' 64' ' ' PHE . 1.9 ptm -139.37 166.34 24.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -89.41 143.32 26.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.587 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.4 m-85 -52.22 -34.17 44.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.28 -12.27 60.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.026 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -95.37 3.29 54.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.613 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.1 mm -76.12 -46.15 3.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.03 -11.22 21.42 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -91.8 -16.87 26.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.25 -16.05 15.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 82' ' ' LEU . 7.8 mt -67.01 -36.95 83.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -45.21 -32.5 1.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.585 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.22 -47.22 36.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.427 HD22 ' CG2' ' A' ' 63' ' ' ILE . 8.9 mt -70.89 -13.38 62.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 78' ' ' LEU . 84.7 mt -101.62 111.24 23.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 78.5 mtm -111.15 159.8 31.42 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 117.66 4.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.535 1.808 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.023 179.969 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -101.35 151.81 21.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 tmmt? -83.87 128.31 34.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.467 HD21 ' CD1' ' A' ' 32' ' ' ILE . 4.1 mt -81.37 144.2 31.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -54.73 167.24 0.63 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -17.11 19.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.432 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 25.7 mtm180 -97.21 -26.91 14.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.472 HD12 ' CD2' ' A' ' 21' ' ' LEU . 6.2 tp -92.15 -45.1 8.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.97 -33.11 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.432 ' NE ' ' HA ' ' A' ' 17' ' ' ARG . 25.2 ptt180 -93.47 -38.62 11.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.472 ' CD2' HD12 ' A' ' 18' ' ' LEU . 12.2 tp -48.06 -59.57 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.2 mt -86.65 -30.0 22.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.93 0.88 63.57 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.444 ' CG2' ' HB2' ' A' ' 27' ' ' GLN . 23.2 mt -86.58 113.68 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -72.7 -56.64 4.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.604 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.1 m -152.6 112.11 3.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.39 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.444 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 0.9 OUTLIER -139.16 -179.08 5.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.531 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 18.6 p -71.88 -179.03 2.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.615 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.8 ttt180 -78.6 -44.29 1.97 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.96 -5.79 17.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.531 ' CG2' ' OG1' ' A' ' 28' ' ' THR . 39.2 t -98.67 -35.62 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.467 ' CD1' HD21 ' A' ' 14' ' ' LEU . 65.5 mt -79.31 -52.52 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.582 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.3 tt -44.09 -41.55 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.423 ' N ' HG21 ' A' ' 33' ' ' ILE . 14.9 mm-40 -67.3 -61.03 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -42.31 -28.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 6.0 tp -81.57 -50.55 9.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.582 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 79.4 m95 -52.57 -45.05 66.29 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -60.53 -14.24 18.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.597 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.8 t80 -86.02 -46.66 10.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.462 ' CD1' HG23 ' A' ' 54' ' ' VAL . 67.3 mt -68.99 -23.65 27.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -48.39 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.7 m -71.91 -43.27 65.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.597 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.1 m-70 -83.82 2.17 39.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.093 . . . . 0.0 109.583 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 43' ' ' HIS . 2.0 mmpt? 39.46 60.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.472 ' CD1' HD12 ' A' ' 60' ' ' LEU . 45.9 mt -85.53 2.06 46.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.44 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.2 tm0? -51.63 127.86 21.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 50' ' ' GLU . 28.9 t70 -63.59 130.48 94.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -19.16 18.13 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.439 1.757 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.523 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -75.96 -54.91 6.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.588 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.519 ' CB ' ' CD1' ' A' ' 53' ' ' PHE . 4.1 mm-40 -108.66 -173.27 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.44 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -119.22 -10.47 9.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.614 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -109.41 -14.71 14.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 12.1 m-85 -88.28 167.68 13.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.488 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -147.77 119.81 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.423 ' CD2' ' HB2' ' A' ' 68' ' ' ARG . 12.8 mt -78.69 110.07 13.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 35.5 m -61.94 133.63 55.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 108.306 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -72.68 178.57 4.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -48.3 -48.55 35.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 8.0 m-30 -59.21 -63.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.472 HD12 ' CD1' ' A' ' 45' ' ' LEU . 94.3 mt -51.67 -40.95 60.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -56.32 -21.13 22.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.88 -13.58 21.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.43 HG21 ' CD2' ' A' ' 81' ' ' LEU . 15.3 mt -101.87 -61.35 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.513 ' CD1' ' HE1' ' A' ' 69' ' ' MET . 34.2 m-85 -75.86 -41.96 50.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 71.26 32.07 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.341 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' GLN . 0.4 OUTLIER -126.84 91.76 3.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.962 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -38.42 -49.63 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.423 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . 8.8 ttp180 -141.29 124.81 16.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.513 ' HE1' ' CD1' ' A' ' 64' ' ' PHE . 1.6 ptm -138.36 165.56 26.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 1.2 mttt -86.89 144.42 26.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.614 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 2.4 m-85 -52.57 -28.45 21.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.18 -11.62 59.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -96.14 2.88 53.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.338 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.3 mm -76.36 -45.26 3.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.03 -11.49 21.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.42 1.747 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -92.87 -14.86 27.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.489 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -106.08 -14.1 15.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 82' ' ' LEU . 7.8 mt -69.01 -37.49 78.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -45.59 -28.74 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.611 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.55 -44.3 29.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.43 ' CD2' HG21 ' A' ' 63' ' ' ILE . 8.1 mt -75.41 -12.01 60.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 78' ' ' LEU . 78.0 mt -102.29 119.17 38.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.434 ' CE ' ' HA ' ' A' ' 15' ' ' ASP . 57.7 mtm -122.84 159.54 53.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 115.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.126 0 O-C-N 124.52 1.8 . . . . 0.0 111.0 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -105.18 144.15 32.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -78.42 131.6 36.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 mt -84.96 146.01 27.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -55.5 167.62 0.72 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -15.57 20.73 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.434 ' NH2' ' OD2' ' A' ' 15' ' ' ASP . 26.9 mtm180 -97.15 -28.21 14.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.431 ' C ' ' N ' ' A' ' 20' ' ' ARG . 7.6 tp -91.97 -48.18 6.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.48 -31.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.431 ' N ' ' C ' ' A' ' 18' ' ' LEU . 8.7 mtt180 -93.37 -46.56 7.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.34 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.6 tp -40.71 -59.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 mt -87.31 -29.73 21.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.47 -6.21 71.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.447 ' CG2' ' HB2' ' A' ' 27' ' ' GLN . 3.7 mt -75.24 106.4 4.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 0.744 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -63.77 -55.43 23.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.614 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 93.2 m -157.44 110.79 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.457 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -130.52 -169.28 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.521 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 37.0 p -83.09 -177.12 6.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.409 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.619 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 46.9 ttp85 -79.57 -43.84 1.6 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.09 -5.83 17.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.521 ' CG2' ' OG1' ' A' ' 28' ' ' THR . 38.1 t -99.31 -44.11 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.4 mt -68.25 -49.49 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.587 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.2 tt -48.77 -44.53 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' TRP . 15.4 mm100 -68.62 -61.21 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.44 -30.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.524 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 5.7 tp -81.02 -49.29 11.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 65.6 m95 -52.71 -43.12 65.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 107.99 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -62.01 -12.88 21.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.524 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 6.3 t80 -85.66 -48.97 8.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.459 ' CD1' HG21 ' A' ' 54' ' ' VAL . 42.5 mt -67.01 -24.75 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.47 -52.04 7.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.8 m -67.44 -43.14 81.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.439 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.435 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.9 m-70 -84.36 2.51 40.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.621 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' HIS . 22.2 mttt 39.0 58.11 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.2 mt -85.76 3.09 42.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.432 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.4 tt0 -51.16 133.52 27.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' A' ' 50' ' ' GLU . 64.1 t0 -65.95 125.66 90.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.423 ' HD2' ' OD1' ' A' ' 47' ' ' ASP . 18.2 Cg_endo -75.01 -10.58 21.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.779 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.468 ' CB ' ' OE2' ' A' ' 50' ' ' GLU . 3.1 m170 -83.04 -48.79 10.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.468 ' OE2' ' CB ' ' A' ' 49' ' ' HIS . 13.1 mp0 -119.95 -171.77 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.432 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 4.9 mmt-85 -119.96 -10.56 9.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.611 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 3.0 pm0 -107.29 -13.48 15.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.611 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 57.7 m-85 -96.14 167.43 11.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.517 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -145.22 130.26 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 mt -87.71 109.28 19.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 88.4 m -62.38 130.68 46.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 108.323 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.545 ' OD2' ' CD2' ' A' ' 59' ' ' TYR . 20.2 p-10 -68.61 -169.41 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -65.8 -33.3 75.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.545 ' CD2' ' OD2' ' A' ' 57' ' ' ASP . 12.4 m-30 -72.85 -52.55 14.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.54 -37.66 86.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -57.69 -18.93 23.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -99.23 -13.5 19.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.432 ' CG2' HD11 ' A' ' 81' ' ' LEU . 12.2 mt -102.29 -59.69 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 77' ' ' ARG . 42.1 m-85 -79.76 -40.18 29.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 70.69 29.92 3.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.66 94.74 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -42.37 -47.68 4.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -141.11 122.37 14.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.43 ' SD ' HG12 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.36 168.45 19.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 111.001 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.544 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 4.4 mttt -86.63 145.75 26.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.7 m-85 -54.49 -30.82 54.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.419 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 0.6 OUTLIER -76.74 -10.35 59.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.055 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -95.52 3.21 54.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 7.7 mt -77.89 -45.52 2.36 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.97 -12.12 21.57 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.516 1.798 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -89.64 -17.28 28.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.46 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -105.68 -8.66 17.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.297 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 81' ' ' LEU . 8.4 mt -74.07 -36.53 64.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -43.06 -33.57 0.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.603 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.5 -44.96 33.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' LEU . 13.9 mt -71.24 -10.84 60.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' LEU . 38.8 mt -106.07 112.85 26.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.371 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 66.1 mtm -117.86 158.91 44.58 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 115.42 4.27 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.496 1.788 . . . . 0.0 110.968 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -101.61 155.16 18.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -86.61 138.67 31.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.366 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.513 ' CD1' ' O ' ' A' ' 24' ' ' ILE . 3.9 mt -89.0 144.36 26.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -55.99 167.75 0.81 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -17.19 19.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -97.35 -26.77 14.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.413 HD13 ' CD2' ' A' ' 21' ' ' LEU . 6.4 tp -92.2 -45.2 8.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.95 -33.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.28 -41.45 9.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.47 ' CD2' HD23 ' A' ' 60' ' ' LEU . 11.9 tp -45.31 -57.51 3.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 mt -87.16 -34.56 19.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.55 -4.57 54.16 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.543 1.152 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.513 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 33.6 mt -95.16 127.0 47.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.764 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -90.5 -57.55 2.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.638 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.423 ' O ' ' OE1' ' A' ' 27' ' ' GLN . 45.3 m -130.74 126.54 36.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.403 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.513 ' CG ' ' CG1' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -160.07 171.67 18.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.51 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 72.9 p -67.9 -174.31 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.662 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 6.9 ttp-105 -83.71 -42.1 0.79 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.95 -4.77 15.9 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.492 1.785 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.513 ' CG1' ' CG ' ' A' ' 27' ' ' GLN . 11.8 t -100.61 -32.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.1 mt -82.13 -53.96 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.58 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 0.7 OUTLIER -44.23 -46.83 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' LEU . 61.2 mm-40 -65.59 -61.6 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.12 -30.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.24 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.593 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 7.4 tp -80.48 -52.39 7.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.58 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 92.5 m95 -52.2 -45.35 65.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 108.005 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -59.17 -14.62 11.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.689 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.2 t80 -86.11 -48.3 8.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.1 mt -67.77 -23.74 29.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.97 -49.77 10.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -72.13 -46.87 54.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.394 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.689 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 5.7 m170 -78.6 -0.26 29.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.612 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt 41.04 59.73 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.458 ' CD1' HD13 ' A' ' 60' ' ' LEU . 78.5 mt -84.58 0.52 49.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -51.95 128.48 24.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' O ' ' A' ' 50' ' ' GLU . 35.1 t70 -61.22 131.16 92.07 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -12.15 21.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.544 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -87.69 -56.12 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.607 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 47' ' ' ASP . 5.1 mm-40 -112.67 171.68 7.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.417 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 6.7 mmt180 -107.39 -11.88 15.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.608 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 6.7 pm0 -98.57 -22.38 16.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.608 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 64.2 m-85 -90.75 168.47 11.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.598 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -147.63 123.58 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.478 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 4.9 mt -81.83 106.42 13.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 21.3 m -61.3 133.35 55.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 108.28 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 4.1 p-10 -73.69 166.54 23.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.22 -32.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.416 ' N ' ' C ' ' A' ' 57' ' ' ASP . 10.1 m-30 -70.83 -66.76 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.47 HD23 ' CD2' ' A' ' 21' ' ' LEU . 96.9 mt -57.23 -30.23 64.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -64.72 -18.63 65.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.36 -15.04 18.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.7 mt -101.74 -59.3 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.557 ' CZ ' HD12 ' A' ' 81' ' ' LEU . 34.5 m-85 -76.4 -36.43 58.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 66.81 30.7 7.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.61 96.08 4.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.952 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 68' ' ' ARG . 11.5 pt20 -46.39 -45.29 17.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 16.6 ttt180 -145.2 122.32 11.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 110.25 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.483 ' SD ' ' CD1' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.91 167.99 20.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.6 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -85.37 140.78 30.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.598 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 2.3 m-85 -52.14 -31.88 33.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -12.88 61.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.097 . . . . 0.0 109.992 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -95.43 4.79 52.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.61 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 1.6 mm -76.07 -46.37 3.75 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.99 -11.43 21.49 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.469 1.773 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -92.12 -15.32 27.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.479 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -104.82 -14.92 15.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 82' ' ' LEU . 9.1 mt -67.66 -37.37 82.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -44.15 -32.18 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.594 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.55 -48.32 22.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.557 HD12 ' CZ ' ' A' ' 64' ' ' PHE . 9.4 mt -68.36 -13.48 62.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 78' ' ' LEU . 81.8 mt -101.56 119.94 39.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 62.1 mtm -120.48 160.88 42.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 113.56 3.82 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -100.16 157.65 16.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -91.19 129.52 37.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 mt -80.21 148.37 30.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -59.25 166.7 2.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -15.65 20.8 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.564 1.823 . . . . 0.0 111.028 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.26 -28.14 14.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.45 ' C ' ' N ' ' A' ' 20' ' ' ARG . 6.5 tp -92.06 -46.71 7.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.12 -30.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.45 ' N ' ' C ' ' A' ' 18' ' ' LEU . 1.3 mtt180 -94.53 -45.18 7.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.3 tp -40.54 -60.75 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.4 mt -85.39 -37.4 19.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.91 13.86 44.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.0 mt -94.19 99.74 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -50.81 -62.94 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.599 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -157.12 119.8 3.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.375 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.481 ' CG ' ' CG1' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -138.59 -168.36 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.565 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 34.4 p -83.47 -166.96 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.565 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 11.4 ttp180 -83.54 -47.85 0.76 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.02 -5.39 16.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.565 ' CG2' ' OG1' ' A' ' 28' ' ' THR . 48.1 t -99.79 -24.66 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.446 ' CD1' ' O ' ' A' ' 28' ' ' THR . 68.2 mt -94.78 -54.03 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.604 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.0 OUTLIER -42.45 -41.94 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.439 ' N ' HG22 ' A' ' 33' ' ' ILE . 45.1 mm-40 -66.04 -60.15 3.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.04 -29.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.596 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 5.7 tp -81.39 -52.28 7.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 90.0 m95 -52.49 -45.49 66.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -61.87 -12.72 19.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.594 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 4.7 t80 -87.98 -49.9 6.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.6 mt -68.11 -20.62 25.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.85 -47.85 10.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -74.31 -44.6 51.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.594 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 5.8 m-70 -80.43 2.9 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.618 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' HIS . 10.7 mmtt 39.27 60.09 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.486 ' CD1' HD11 ' A' ' 60' ' ' LEU . 90.7 mt -87.36 0.05 56.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.435 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.8 tt0 -52.04 128.37 24.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' O ' ' A' ' 50' ' ' GLU . 27.9 t70 -58.41 129.42 83.8 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -11.98 21.44 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.523 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -85.33 -54.35 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.618 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.2 mm-40 -113.89 -175.4 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.435 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 7.2 mmt180 -116.38 -15.29 10.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.627 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 4.5 pm0 -98.39 -21.32 16.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.627 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 52.9 m-85 -88.43 165.49 14.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.597 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -146.5 124.99 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.483 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 3.6 mt -84.4 108.08 17.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 56.2 m -61.05 131.79 51.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 108.304 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.19 -178.84 2.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.52 -56.95 6.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.508 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 4.4 m-30 -53.4 -62.6 1.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.486 HD11 ' CD1' ' A' ' 45' ' ' LEU . 85.0 mt -50.69 -42.86 57.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -58.14 -16.9 15.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.19 -14.73 19.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.429 HG22 ' CD2' ' A' ' 81' ' ' LEU . 8.8 mt -102.95 -59.15 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.558 ' CZ ' HD11 ' A' ' 81' ' ' LEU . 58.9 m-85 -83.15 -38.17 22.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 65.35 28.39 11.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 77.4 p -111.85 89.72 3.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -41.66 -44.78 3.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.483 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 28.8 ttt180 -149.37 121.25 8.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.51 169.05 18.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.618 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -87.91 143.43 27.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.597 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.5 m-85 -53.69 -28.87 36.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.9 t -74.8 -11.71 60.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -95.76 3.82 53.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.612 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 1.5 mm -75.95 -45.82 3.88 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.97 -11.12 21.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.769 . . . . 0.0 111.027 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -92.95 -13.66 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.31 -16.39 14.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 82' ' ' LEU . 8.1 mt -67.58 -39.35 84.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -42.42 -35.29 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.604 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.44 -51.4 29.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.558 HD11 ' CZ ' ' A' ' 64' ' ' PHE . 23.1 mt -65.43 -18.73 65.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 78' ' ' LEU . 86.9 mt -95.74 114.42 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 75.9 mtm -114.6 161.28 29.58 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 113.76 3.86 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 110.981 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 t -166.25 110.28 0.79 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 0.774 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.1 p -92.15 159.51 15.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.018 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.09 -174.39 0.11 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -167.07 103.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 0.787 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m 56.75 95.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.58 172.57 12.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -39.95 143.07 0.62 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.2 39.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 95.04 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.445 1.761 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -107.36 139.42 41.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.487 ' CE1' ' HB2' ' A' ' 29' ' ' ARG . 23.4 m-85 -120.7 144.61 48.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -80.05 130.36 35.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.445 HD23 ' CD1' ' A' ' 32' ' ' ILE . 6.4 mt -84.64 145.83 27.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -55.02 167.66 0.62 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -16.9 20.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.572 1.827 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.95 -27.5 14.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.429 ' C ' ' N ' ' A' ' 20' ' ' ARG . 7.3 tp -91.65 -46.59 7.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.83 -30.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.429 ' N ' ' C ' ' A' ' 18' ' ' LEU . 27.6 mtt85 -95.57 -44.61 7.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.455 HD21 ' CD1' ' A' ' 63' ' ' ILE . 13.9 tp -41.25 -59.26 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 mt -87.43 -35.23 18.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.79 12.67 52.59 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 27' ' ' GLN . 19.5 mt -91.59 99.22 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -50.37 -62.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.582 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 m -157.36 114.67 3.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.42 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.463 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 0.9 OUTLIER -135.26 -173.0 3.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.52 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 24.6 p -79.33 -177.48 5.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.418 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.609 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 2.8 ttt180 -78.42 -44.89 2.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.91 -6.2 17.79 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.52 ' CG2' ' OG1' ' A' ' 28' ' ' THR . 43.8 t -99.55 -31.54 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.445 ' CD1' HD23 ' A' ' 14' ' ' LEU . 63.4 mt -84.6 -53.35 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.446 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.7 tt -41.43 -43.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.356 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 37' ' ' TRP . 16.3 mm-40 -65.3 -62.51 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.47 -29.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 5.9 tp -80.75 -51.08 9.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.446 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 69.0 m95 -52.55 -43.98 65.53 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.4 ' HA ' ' NE2' ' A' ' 38' ' ' GLN . 10.7 tp60 -60.93 -13.63 17.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.601 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.3 t80 -86.11 -47.3 9.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.476 ' CD1' HG22 ' A' ' 54' ' ' VAL . 47.8 mt -68.05 -23.63 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.91 -49.61 9.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.9 m -71.17 -43.88 66.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.419 1.074 . . . . 0.0 110.392 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.601 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.3 m-70 -83.31 0.73 44.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.599 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 43' ' ' HIS . 8.7 mttt 39.66 58.09 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.474 ' CD1' HD13 ' A' ' 60' ' ' LEU . 89.7 mt -82.6 1.57 37.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.428 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.2 tt0 -52.01 127.83 22.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' A' ' 50' ' ' GLU . 31.1 t70 -57.92 129.88 82.35 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -11.34 21.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.786 . . . . 0.0 111.043 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.513 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -88.01 -55.08 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.631 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' A' ' 47' ' ' ASP . 5.2 mm-40 -111.02 175.23 5.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.428 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 31.2 mtt180 -112.19 -5.05 14.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.606 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 4.1 pm0 -107.48 -20.91 13.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.606 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 62.0 m-85 -90.63 167.69 12.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.532 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -146.55 121.46 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.476 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 3.7 mt -80.97 113.38 19.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 18.3 m -63.9 133.38 53.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 108.358 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.96 179.77 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -48.27 -51.44 25.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.524 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 3.8 m-30 -59.64 -60.14 4.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.474 HD13 ' CD1' ' A' ' 45' ' ' LEU . 54.0 mt -51.84 -42.79 62.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -58.03 -17.74 19.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -99.2 -14.41 19.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.455 ' CD1' HD21 ' A' ' 21' ' ' LEU . 10.8 mt -102.54 -57.81 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.571 ' CD1' ' HE2' ' A' ' 69' ' ' MET . 46.7 m-85 -79.61 -39.59 31.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 111.042 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 68.63 31.12 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.65 95.59 4.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -43.45 -46.97 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.476 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 14.9 ttt180 -142.69 124.57 15.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.571 ' HE2' ' CD1' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -139.2 166.34 24.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.582 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -86.48 144.18 27.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 3.8 m-85 -53.52 -28.75 32.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.403 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 9.2 t -79.4 -11.12 59.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.016 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -96.18 1.39 52.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.24 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.3 mm -74.8 -45.29 5.21 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.99 -11.7 21.5 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -87.81 -16.69 33.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.2 -16.82 14.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' LEU . 9.3 mt -65.51 -43.47 89.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.458 ' CD2' ' O ' ' A' ' 75' ' ' PRO . 98.7 m-70 -41.56 -36.21 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.57 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.05 -50.84 37.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.453 HD11 ' CG2' ' A' ' 63' ' ' ILE . 23.4 mt -64.33 -26.39 68.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.423 HD21 ' CD2' ' A' ' 14' ' ' LEU . 80.4 mt -88.12 121.36 30.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 55.1 mtm -123.05 158.51 57.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 113.65 3.84 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.46 1.768 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 55.23 3.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.779 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -151.73 155.68 34.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.253 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.458 1.768 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.6 p -171.57 -40.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -173.36 158.57 28.12 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 157.48 42.49 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.6 t 65.03 98.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.58 152.81 40.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.954 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.626 ' N ' HH21 ' A' ' 29' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.63 157.2 24.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.753 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.95 104.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.983 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.68 146.84 4.9 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 42.3 89.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 0.799 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.95 -56.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.94 145.2 7.2 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 39.69 86.69 0.13 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.342 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 171.97 17.29 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.44 1.758 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 134.68 18.11 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.569 1.826 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -138.14 120.69 16.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -109.05 149.63 28.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -81.83 137.13 35.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.445 HD23 ' CD1' ' A' ' 32' ' ' ILE . 4.6 mt -88.3 145.37 25.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.49 166.95 1.46 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -16.32 20.27 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -97.29 -27.26 14.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.442 ' C ' ' N ' ' A' ' 20' ' ' ARG . 7.3 tp -92.34 -46.63 7.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.28 -29.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.442 ' N ' ' C ' ' A' ' 18' ' ' LEU . 16.9 mtt-85 -94.98 -48.22 6.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' ARG . 12.2 tp -40.32 -60.51 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.9 mt -82.76 -38.36 23.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.39 6.51 56.56 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.407 ' CG2' HD11 ' A' ' 14' ' ' LEU . 9.2 mt -88.68 109.49 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.767 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -63.19 -61.35 2.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.565 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 m -154.6 115.22 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.427 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.475 ' CG ' ' CG1' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -136.85 -166.97 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.576 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 34.3 p -84.77 -167.08 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.424 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.626 HH21 ' N ' ' A' ' 1' ' ' GLY . 12.0 ttp85 -82.88 -47.73 0.83 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.02 -4.77 15.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.534 1.807 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.576 ' CG2' ' OG1' ' A' ' 28' ' ' THR . 51.0 t -100.5 -27.45 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.445 ' CD1' HD23 ' A' ' 14' ' ' LEU . 86.0 mt -91.0 -44.23 14.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' A' ' 29' ' ' ARG . 2.4 tt -54.88 -41.82 59.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.415 ' C ' ' N ' ' A' ' 36' ' ' LEU . 91.0 mm-40 -64.48 -57.91 7.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.79 -26.27 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.588 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 6.1 tp -84.26 -49.55 8.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.441 ' HZ3' ' CD1' ' A' ' 71' ' ' PHE . 72.3 m95 -54.4 -44.29 72.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 108.021 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -62.17 -12.79 21.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.545 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.4 t80 -86.96 -47.63 8.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.474 ' CD1' HG21 ' A' ' 54' ' ' VAL . 37.6 mt -69.01 -21.94 25.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -84.1 -47.98 10.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.3 m -73.25 -41.91 63.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.441 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.545 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.2 m-70 -85.05 1.52 47.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.583 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 43' ' ' HIS . 11.7 mmtt 38.85 60.06 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.446 ' CD1' HD11 ' A' ' 60' ' ' LEU . 82.9 mt -84.64 1.5 45.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.429 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -51.88 129.01 25.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' A' ' 50' ' ' GLU . 30.2 t70 -59.28 129.6 86.65 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -12.62 21.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.545 1.813 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.52 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -85.98 -53.88 4.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.59 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 47' ' ' ASP . 6.0 mm-40 -110.35 -175.58 2.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.429 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.1 -13.82 9.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.596 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 7.0 pm0 -100.95 -21.44 15.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.587 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 45.5 m-85 -86.35 166.46 15.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.558 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -146.26 119.2 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.46 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 11.7 mt -79.55 105.54 10.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 36.0 m -56.61 137.55 53.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 108.235 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.08 179.4 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -56.52 -33.84 66.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.421 ' N ' ' HG2' ' A' ' 58' ' ' LYS . 14.0 m-85 -73.25 -52.67 13.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.446 HD11 ' CD1' ' A' ' 45' ' ' LEU . 91.8 mt -62.22 -39.63 93.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -56.63 -19.62 17.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -99.3 -13.53 19.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.475 ' CG2' HD11 ' A' ' 81' ' ' LEU . 12.9 mt -101.65 -59.9 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CD2' ' HE1' ' A' ' 69' ' ' MET . 33.6 m-85 -76.03 -37.73 58.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 69.48 30.16 4.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.453 ' OG ' ' NH1' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -126.77 93.55 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -41.45 -48.91 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.463 ' HD3' ' CD2' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -141.64 122.95 14.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.566 ' HE1' ' CD2' ' A' ' 64' ' ' PHE . 1.2 ptm -138.1 162.7 33.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.584 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -82.56 144.58 30.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 3.7 m-85 -53.45 -25.99 18.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.0 -12.1 60.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -96.44 2.97 53.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.9 mm -76.19 -45.33 3.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.98 -12.21 21.55 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -93.31 -15.4 25.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.508 ' HB3' ' CD2' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -103.38 -12.72 17.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 82' ' ' LEU . 9.0 mt -70.46 -37.14 74.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -45.34 -33.12 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.674 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.47 -47.3 49.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.475 HD11 ' CG2' ' A' ' 63' ' ' ILE . 12.2 mt -71.86 -13.46 61.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 78' ' ' LEU . 86.0 mt -99.84 117.12 33.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 59.6 mtm -118.11 158.7 45.57 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 115.73 4.38 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.447 1.761 . . . . 0.0 111.018 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 54.97 3.8 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.436 1.756 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -147.81 156.0 44.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -42.05 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.545 1.813 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.35 93.06 4.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.049 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -93.05 158.46 23.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -52.64 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 t -101.87 97.75 8.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.9 t 56.36 104.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.45 1.094 . . . . 0.0 110.971 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.4 88.37 7.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.798 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -164.53 138.49 5.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.2 -147.64 9.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t 62.64 116.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 0.73 . . . . 0.0 110.014 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.7 143.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.004 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.29 -112.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -54.11 145.01 36.51 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 154.96 43.0 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.454 ' O ' ' CG2' ' A' ' 28' ' ' THR . 18.1 Cg_endo -75.02 171.32 18.56 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.523 1.801 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -164.28 118.1 1.41 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -104.74 150.82 24.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -82.46 130.75 35.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.453 HD23 ' CD1' ' A' ' 32' ' ' ILE . 5.4 mt -82.1 146.0 29.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.509 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.52 166.84 1.52 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.0 20.43 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -97.32 -27.53 14.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 21' ' ' LEU . 7.2 tp -92.14 -47.2 7.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -42.43 -30.1 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -95.36 -33.92 12.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.082 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.459 ' CD2' HD23 ' A' ' 60' ' ' LEU . 12.7 tp -53.37 -61.08 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.7 mt -84.69 -29.62 25.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.66 9.23 63.04 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 111.029 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.8 mt -88.71 107.05 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -58.76 -62.73 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.581 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 m -156.55 110.97 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.487 ' CG ' HG12 ' A' ' 31' ' ' VAL . 1.2 mp0 -129.63 -167.59 1.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.562 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 33.5 p -84.18 -167.14 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.569 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.5 ttp-105 -82.73 -47.65 0.86 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.98 -4.68 15.77 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.562 ' CG2' ' OG1' ' A' ' 28' ' ' THR . 46.7 t -100.34 -29.37 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.453 ' CD1' HD23 ' A' ' 14' ' ' LEU . 83.5 mt -88.56 -45.21 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.452 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.8 tt -53.94 -42.65 54.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.427 ' C ' ' N ' ' A' ' 36' ' ' LEU . 42.9 mm-40 -64.72 -61.53 2.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.356 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -41.82 -28.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 5.9 tp -81.48 -50.38 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 75.3 m95 -52.93 -46.19 68.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 107.997 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -59.57 -14.91 15.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.709 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 4.8 t80 -85.54 -47.54 9.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.5 mt -66.18 -23.55 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -84.4 -51.39 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.5 m -68.82 -42.43 77.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.709 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.6 m-70 -85.14 2.3 44.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.588 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt 42.57 58.41 3.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.576 ' CD1' ' CD1' ' A' ' 60' ' ' LEU . 75.3 mt -80.84 -5.05 56.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -51.78 124.02 11.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.302 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 50' ' ' GLU . 32.9 t70 -56.26 130.68 75.18 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -12.74 21.48 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.761 . . . . 0.0 110.978 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.519 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -86.98 -54.49 4.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.585 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.0 mm-40 -109.26 -176.74 3.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.426 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 4.3 mmt-85 -118.97 -10.61 9.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.615 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 3.9 pm0 -103.59 -20.73 13.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.615 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 53.6 m-85 -88.65 168.23 12.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.566 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -147.29 120.1 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.452 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 5.2 mt -81.8 105.54 13.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.0 m -57.45 132.82 54.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 108.316 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -68.11 178.67 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -49.23 -48.47 45.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.494 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 4.8 m-30 -60.05 -60.46 3.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.576 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 93.8 mt -53.24 -42.18 66.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -56.48 -18.56 11.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -99.3 -14.75 19.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.482 ' CG2' HD11 ' A' ' 81' ' ' LEU . 13.5 mt -101.68 -59.83 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.504 ' CD1' ' HE1' ' A' ' 69' ' ' MET . 36.9 m-85 -75.39 -37.4 60.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 68.9 28.88 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.56 98.49 5.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -47.26 -44.65 23.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.452 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 29.3 ttp180 -142.32 123.86 14.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.261 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.504 ' HE1' ' CD1' ' A' ' 64' ' ' PHE . 2.3 ptm -138.99 165.38 27.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.575 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -86.25 143.84 27.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.566 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.9 m-85 -54.25 -29.01 45.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.7 t -77.39 -11.88 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -96.28 2.76 53.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.623 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.4 mm -75.66 -45.48 4.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.02 -11.57 21.45 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.461 1.769 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -93.16 -16.0 25.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.01 -18.13 15.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 82' ' ' LEU . 8.2 mt -65.77 -39.81 91.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -43.17 -33.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.607 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.77 -47.59 37.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.482 HD11 ' CG2' ' A' ' 63' ' ' ILE . 14.4 mt -68.71 -16.9 63.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' LEU . 61.1 mt -96.1 124.15 39.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.47 ' CE ' ' HA ' ' A' ' 15' ' ' ASP . 40.7 mtm -120.59 158.55 51.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 113.41 3.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.95 3.8 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.772 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -136.86 156.85 75.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -49.72 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.78 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.9 t 67.74 102.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -56.65 162.74 6.59 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 64.03 6.0 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 m -87.62 96.07 10.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.4 t -63.68 160.54 16.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.578 1.174 . . . . 0.0 111.038 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.54 -58.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 0.77 . . . . 0.0 110.042 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.9 t -52.65 134.01 36.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.03 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.91 -164.55 36.62 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -139.56 155.35 47.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 110.039 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.6 p -98.84 155.71 17.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.96 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.44 -138.29 48.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.78 121.27 2.28 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.52 0.776 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 170.69 19.86 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 171.15 18.88 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -164.18 110.27 1.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -102.08 151.13 22.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' O ' ' SD ' ' A' ' 83' ' ' MET . 2.7 ttpp -86.22 125.32 33.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 mt -76.3 145.2 39.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -54.99 167.24 0.66 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.93 19.87 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.535 1.808 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -97.51 -27.06 14.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.423 ' C ' ' N ' ' A' ' 20' ' ' ARG . 6.7 tp -91.77 -45.65 8.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.37 -32.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' N ' ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -93.43 -47.87 6.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.452 ' CD2' HD22 ' A' ' 60' ' ' LEU . 12.5 tp -40.1 -60.51 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.8 mt -84.27 -38.65 20.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.66 7.88 58.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.555 1.159 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.438 ' CG2' ' HB2' ' A' ' 27' ' ' GLN . 12.8 mt -89.6 96.52 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -50.82 -62.0 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.578 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 84.9 m -152.28 124.48 8.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.438 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 0.8 OUTLIER -146.99 -171.19 3.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.524 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 32.0 p -81.14 -176.72 6.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.419 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.612 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.5 ttt180 -78.75 -44.48 1.9 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.99 -6.54 18.19 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.524 ' CG2' ' OG1' ' A' ' 28' ' ' THR . 37.6 t -97.84 -36.85 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 53.1 mt -78.15 -50.31 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.593 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.4 tt -48.14 -40.24 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.424 ' C ' ' N ' ' A' ' 36' ' ' LEU . 3.3 mm100 -67.11 -61.03 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.02 -27.83 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.491 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 5.8 tp -82.67 -49.13 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.593 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 76.5 m95 -53.55 -44.3 69.14 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -12.67 24.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.628 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.2 t80 -86.52 -47.82 8.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.04 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.462 ' CD1' HG23 ' A' ' 54' ' ' VAL . 22.7 mt -68.26 -22.15 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.26 -48.6 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -72.17 -42.3 66.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.628 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 5.7 m-70 -84.59 3.41 36.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 38.86 59.11 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.463 ' CD1' HD11 ' A' ' 60' ' ' LEU . 83.7 mt -84.71 -0.97 55.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.3 tt0 -51.57 126.95 18.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 50' ' ' GLU . 27.3 t70 -58.56 128.47 83.33 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -11.47 21.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.52 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -86.5 -52.92 5.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 109.59 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.463 ' O ' ' O ' ' A' ' 47' ' ' ASP . 5.7 mm-40 -112.7 -176.0 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.425 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.34 -12.77 9.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.607 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 4.8 pm0 -101.26 -21.73 14.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.607 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 57.7 m-85 -88.01 167.21 13.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.546 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -147.28 121.98 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.475 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 2.1 mt -81.94 110.05 16.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.3 m -59.6 141.13 55.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 108.294 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.77 176.53 6.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.552 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -51.89 -37.61 52.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.552 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 10.6 m-85 -71.53 -54.9 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 45' ' ' LEU . 88.8 mt -58.69 -41.22 85.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -56.83 -18.27 12.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -99.54 -13.71 19.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 110.226 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.438 ' CG2' HD12 ' A' ' 81' ' ' LEU . 13.4 mt -101.94 -57.61 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.577 ' CD1' ' HE3' ' A' ' 69' ' ' MET . 42.5 m-85 -79.03 -39.05 35.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 70.22 30.25 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.4 95.75 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -46.61 -44.26 18.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.475 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 14.9 ttt180 -144.9 123.16 12.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.577 ' HE3' ' CD1' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -139.67 166.42 24.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.998 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.6 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -86.63 142.93 27.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.546 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.4 m-85 -52.27 -31.91 34.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.402 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -74.34 -11.69 60.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -95.98 2.13 53.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.3 mm -75.53 -45.35 4.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.07 -11.2 21.35 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -93.0 -15.48 26.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.49 -15.97 14.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.7 mt -67.65 -37.44 82.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -46.44 -29.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.581 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.44 -46.73 30.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.506 HD13 ' CZ ' ' A' ' 64' ' ' PHE . 16.1 mt -70.76 -20.45 62.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.5 mt -94.23 113.76 25.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -112.65 157.48 40.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 111.011 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.5 3.81 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.542 1.812 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 54.73 3.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -147.38 154.28 45.21 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t 50.21 81.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -122.93 169.87 15.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 88.24 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.474 1.776 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 t -135.81 -59.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.11 94.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -164.84 -58.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 110.023 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 p -161.21 132.45 5.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.986 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.83 -150.24 5.19 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.443 1.089 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 m 51.11 98.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.982 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.61 148.05 6.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.46 -59.03 6.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -113.32 112.93 48.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 158.87 41.93 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 171.03 19.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.526 1.803 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -165.93 109.37 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -103.92 152.54 21.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -83.01 127.24 33.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.472 HD23 ' CD1' ' A' ' 32' ' ' ILE . 4.9 mt -80.39 145.65 31.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.24 166.88 1.36 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -15.05 20.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.2 mtm-85 -97.52 -28.22 14.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.449 HD11 ' CD2' ' A' ' 21' ' ' LEU . 6.4 tp -91.92 -47.92 7.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.38 -29.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.442 ' N ' ' C ' ' A' ' 18' ' ' LEU . 1.2 ptt180 -95.82 -41.62 8.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.449 ' CD2' HD11 ' A' ' 18' ' ' LEU . 14.6 tp -45.57 -59.66 2.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.5 mt -87.4 -34.02 18.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.59 12.88 55.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.461 ' CG2' ' HB2' ' A' ' 27' ' ' GLN . 11.3 mt -90.42 102.39 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -58.07 -59.27 5.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.589 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 54.4 m -156.01 114.85 3.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.461 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 0.7 OUTLIER -138.14 -176.06 4.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.543 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 16.3 p -74.74 179.39 4.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.627 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 23.2 ttp180 -78.07 -43.97 2.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.99 -6.01 17.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.543 ' CG2' ' OG1' ' A' ' 28' ' ' THR . 41.3 t -99.17 -37.04 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' HD23 ' A' ' 14' ' ' LEU . 58.2 mt -76.78 -49.18 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.566 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.4 tt -48.37 -39.92 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.424 ' N ' HG23 ' A' ' 33' ' ' ILE . 1.6 mm100 -65.67 -58.9 4.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.02 -27.95 0.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.589 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 5.9 tp -82.97 -49.59 9.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.566 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 88.7 m95 -53.82 -48.13 70.19 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.407 ' HA ' ' NE2' ' A' ' 38' ' ' GLN . 13.5 tp60 -59.01 -15.79 14.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.487 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 5.1 t80 -84.04 -48.09 10.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.0 mt -67.25 -27.91 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -53.17 7.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.5 m -66.24 -44.92 82.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.378 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' LYS . 5.5 m-70 -84.07 1.85 42.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.555 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 43' ' ' HIS . 49.9 mttt 39.65 58.97 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.468 ' CD1' HD12 ' A' ' 60' ' ' LEU . 86.9 mt -82.0 0.34 40.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.424 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.1 tt0 -52.23 125.61 16.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.438 ' O ' ' O ' ' A' ' 50' ' ' GLU . 31.0 t70 -54.67 130.54 64.46 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -12.17 21.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.51 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -86.35 -53.08 5.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.628 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 47' ' ' ASP . 3.9 mm-40 -111.45 -173.07 2.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.424 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 10.0 mmt180 -120.23 -12.35 9.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.598 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 3.4 pm0 -102.16 -21.05 14.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.598 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 52.1 m-85 -86.97 164.4 16.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.557 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -143.04 118.71 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 68' ' ' ARG . 12.7 mt -79.12 98.5 6.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 12.4 m -54.84 135.33 47.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 108.241 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.545 ' OD2' ' CG ' ' A' ' 59' ' ' TYR . 5.0 p-10 -73.07 -178.92 3.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -50.31 -48.94 54.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.545 ' CG ' ' OD2' ' A' ' 57' ' ' ASP . 7.3 m-30 -58.11 -62.12 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.468 HD12 ' CD1' ' A' ' 45' ' ' LEU . 93.2 mt -54.07 -42.0 68.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -56.76 -19.75 18.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -98.83 -14.53 19.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.46 ' CG2' HD11 ' A' ' 81' ' ' LEU . 11.4 mt -102.0 -62.49 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 60' ' ' LEU . 34.5 m-85 -73.03 -35.16 66.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 66.29 30.07 9.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.67 96.2 4.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -44.95 -46.17 10.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.247 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.479 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -146.3 121.95 10.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.275 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.73 167.61 21.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -85.98 143.8 27.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.557 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 4.7 m-85 -53.04 -25.39 12.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.9 t -78.02 -12.05 59.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -96.08 3.04 53.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.619 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 1.9 mm -74.83 -45.42 5.14 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.95 -12.05 21.6 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -93.3 -14.89 26.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.453 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -105.1 -13.17 15.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 81' ' ' LEU . 8.5 mt -70.5 -41.03 73.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -40.54 -36.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.63 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.05 -49.11 48.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.46 HD11 ' CG2' ' A' ' 63' ' ' ILE . 8.3 mt -66.81 -19.87 65.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' LEU . 42.3 mt -98.05 118.19 34.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 61.9 mtm -116.57 158.77 42.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 113.41 3.79 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.78 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 169.37 22.77 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.502 1.791 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -127.18 156.2 74.98 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -37.18 2.17 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.89 -34.16 68.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.08 155.43 52.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 65.3 6.08 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.83 -61.15 2.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.971 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.3 t -109.74 -56.84 2.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.542 1.151 . . . . 0.0 111.035 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.9 p -109.6 167.15 10.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.955 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.73 84.98 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.34 71.47 2.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 p -124.45 158.98 31.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.974 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -129.86 80.87 1.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.011 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.33 -79.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.44 144.42 28.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 164.58 33.1 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 143.77 29.36 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -148.65 106.56 3.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -104.25 147.63 27.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -80.06 144.97 32.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 25' ' ' HIS . 3.2 mt -96.48 138.94 33.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -53.83 164.96 0.82 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -14.37 21.09 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.528 1.804 . . . . 0.0 110.971 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mtm-85 -97.62 -28.29 14.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' LEU . 9.2 tp -92.27 -45.88 8.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -47.97 -29.54 3.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -91.36 -26.01 19.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.473 ' CD2' HD23 ' A' ' 60' ' ' LEU . 12.4 tp -66.73 -58.77 4.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.3 mt -82.08 -40.06 22.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.88 12.26 28.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.525 1.14 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.8 mt -106.86 128.53 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.451 ' CD2' ' H ' ' A' ' 25' ' ' HIS . 5.4 p80 -86.53 -65.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.608 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.421 ' O ' ' CD ' ' A' ' 27' ' ' GLN . 3.2 m -133.4 117.2 16.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.379 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.476 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -144.94 -174.71 4.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.542 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 46.4 p -80.93 -175.37 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.373 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.607 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.3 tpp85 -78.28 -45.58 2.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.97 -5.85 17.33 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.542 ' CG2' ' OG1' ' A' ' 28' ' ' THR . 40.6 t -99.24 -24.62 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CD1' ' O ' ' A' ' 28' ' ' THR . 26.0 mt -94.4 -52.89 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.6 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.2 tt -45.82 -42.75 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 37' ' ' TRP . 34.2 mm-40 -68.61 -61.12 1.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -41.64 -28.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 5.6 tp -82.97 -48.92 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.6 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 71.8 m95 -52.79 -51.9 58.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.02 -19.74 2.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.281 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.755 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 4.8 t80 -80.25 -47.37 14.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 45' ' ' LEU . 72.6 mt -62.92 -28.03 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' O ' ' CE ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -81.95 -55.5 4.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.6 m -62.63 -39.89 95.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.755 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.1 m-70 -90.24 4.77 49.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.632 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.41 ' CE ' ' O ' ' A' ' 41' ' ' LYS . 3.0 mmpt? 39.59 59.39 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.45 ' CD1' ' CD1' ' A' ' 60' ' ' LEU . 93.0 mt -81.29 -4.84 56.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.9 OUTLIER -51.69 123.76 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' A' ' 50' ' ' GLU . 33.3 t70 -57.92 130.5 82.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -11.68 21.6 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.459 1.768 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.54 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -88.12 -55.38 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.575 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' A' ' 47' ' ' ASP . 7.6 mm-40 -111.31 173.99 6.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.426 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 25.5 mtt180 -112.14 -2.83 14.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.621 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 1.7 pm0 -108.15 -21.73 12.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.621 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 72.7 m-85 -92.47 167.81 11.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.535 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -145.51 122.12 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.478 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 3.4 mt -80.31 107.39 13.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 12.6 m -55.76 141.21 39.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.312 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.98 177.49 7.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.41 ' HE3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -54.24 -31.85 54.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.41 ' CE1' ' HE3' ' A' ' 58' ' ' LYS . 12.1 m-85 -76.01 -52.84 9.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.473 HD23 ' CD2' ' A' ' 21' ' ' LEU . 93.7 mt -62.6 -39.22 93.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -56.84 -19.44 17.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -99.29 -13.77 19.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.5 mt -101.98 -59.37 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.54 ' CD1' ' HE2' ' A' ' 69' ' ' MET . 45.0 m-85 -77.15 -37.92 52.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 68.23 30.6 5.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.83 97.09 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -45.83 -45.75 15.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 10.2 ttt180 -142.77 124.37 14.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.54 ' HE2' ' CD1' ' A' ' 64' ' ' PHE . 1.2 ptm -139.31 166.31 24.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.584 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -84.43 141.67 30.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.544 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 3.4 m-85 -51.55 -35.95 43.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -11.37 60.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.049 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -96.15 3.35 53.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.4 mm -76.62 -45.35 3.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.98 -11.65 21.52 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.789 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -88.17 -14.75 37.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.418 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -106.62 -15.85 14.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.35 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 82' ' ' LEU . 8.8 mt -65.64 -39.72 91.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -42.59 -32.06 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.088 . . . . 0.0 109.575 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.88 -47.96 27.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' LEU . 15.0 mt -72.59 -9.51 58.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 78' ' ' LEU . 91.6 mt -104.36 112.05 24.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 55.1 mtm -115.78 158.68 41.47 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 117.91 5.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 54.95 3.8 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.526 1.803 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -123.83 156.29 65.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -35.67 2.99 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.78 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.05 -45.58 21.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.05 164.4 39.44 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -44.99 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 111.046 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.1 p -168.92 -57.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.4 t -96.52 -64.86 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -92.28 -57.52 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.978 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t 61.87 125.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.975 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.42 52.98 0.61 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.558 1.161 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.94 144.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 109.984 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.9 p -90.03 165.17 14.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.08 -144.76 23.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -44.89 150.65 0.7 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.513 0.773 . . . . 0.0 110.288 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 157.3 42.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.18 35.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -162.19 111.46 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 110.303 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -103.84 154.16 19.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -84.65 133.0 34.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.465 HD22 ' CD1' ' A' ' 32' ' ' ILE . 5.2 mt -86.9 144.78 26.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -54.86 167.47 0.62 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -16.69 20.09 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.491 1.785 . . . . 0.0 110.961 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -96.93 -27.14 14.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.28 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.43 ' C ' ' N ' ' A' ' 20' ' ' ARG . 7.0 tp -92.35 -47.31 7.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.6 -30.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.43 ' N ' ' C ' ' A' ' 18' ' ' LEU . 5.3 ptm180 -94.78 -41.54 9.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.424 ' CD2' HD13 ' A' ' 18' ' ' LEU . 15.2 tp -45.72 -59.97 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.0 mt -85.27 -31.88 22.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.08 8.02 63.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.418 ' CG2' ' HB2' ' A' ' 27' ' ' GLN . 9.8 mt -88.05 102.41 12.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -54.85 -61.21 2.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.579 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 m -157.71 113.35 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.374 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.418 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 1.0 OUTLIER -133.93 -175.56 3.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.527 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 17.8 p -75.11 -177.45 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.429 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.595 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 13.9 ttp85 -78.04 -45.9 2.26 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.98 -5.64 17.05 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.527 ' CG2' ' OG1' ' A' ' 28' ' ' THR . 39.7 t -98.57 -32.81 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.465 ' CD1' HD22 ' A' ' 14' ' ' LEU . 67.8 mt -83.38 -54.18 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.552 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.5 tt -40.77 -41.32 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 37' ' ' TRP . 2.6 mm-40 -67.91 -60.84 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.29 -29.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 6.0 tp -81.26 -50.53 9.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.552 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 78.8 m95 -53.51 -43.82 68.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 107.995 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -62.35 -12.64 22.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.628 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.7 t80 -86.95 -47.77 8.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.458 ' CD1' HG21 ' A' ' 54' ' ' VAL . 29.1 mt -69.01 -21.37 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -84.62 -47.47 10.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -74.04 -44.36 54.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.628 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.8 m-70 -80.98 1.05 32.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.59 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.67 58.82 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.45 ' CD1' HD12 ' A' ' 60' ' ' LEU . 90.0 mt -86.51 3.02 45.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.418 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.2 tt0 -51.42 127.17 19.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.472 ' OD1' ' CG ' ' A' ' 49' ' ' HIS . 61.6 t0 -59.92 125.43 80.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.436 ' HD2' ' OD1' ' A' ' 47' ' ' ASP . 18.4 Cg_endo -74.99 -7.03 18.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.038 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.514 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -91.57 -49.66 6.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.574 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.2 mm-40 -123.76 168.3 12.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.418 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -102.54 -10.73 19.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.608 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -99.17 -21.79 15.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.608 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 66.0 m-85 -93.24 166.98 12.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.589 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -147.88 123.86 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.6 mt -79.49 114.21 18.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 18.5 m -64.12 135.93 56.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 108.283 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.56 177.34 2.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.529 ' HE2' ' CZ ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -52.63 -35.05 53.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.097 . . . . 0.0 109.348 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.529 ' CZ ' ' HE2' ' A' ' 58' ' ' LYS . 30.7 m-85 -76.89 -49.94 14.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.45 HD12 ' CD1' ' A' ' 45' ' ' LEU . 94.5 mt -61.26 -35.91 78.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -64.1 -20.7 66.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -99.21 -13.02 19.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.447 ' CG2' HD12 ' A' ' 81' ' ' LEU . 20.8 mt -101.53 -57.93 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 60' ' ' LEU . 38.2 m-85 -78.05 -37.9 45.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 70.28 30.74 3.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.05 96.68 4.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -44.36 -46.54 9.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.538 ' CZ ' ' CE2' ' A' ' 53' ' ' PHE . 7.2 ttp180 -143.26 123.28 13.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.8 ptm -138.09 160.69 38.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.582 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -77.94 141.27 39.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.589 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 2.5 m-85 -52.26 -29.8 24.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.403 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 9.3 t -76.68 -11.21 59.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -95.96 1.05 52.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.0 mm -74.26 -45.48 6.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -75.01 -11.61 21.46 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.444 1.76 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -92.69 -15.28 26.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -104.42 -15.6 15.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.32 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' LEU . 8.5 mt -67.72 -40.97 84.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -41.6 -35.27 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.561 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.24 -50.84 28.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.447 HD12 ' CG2' ' A' ' 63' ' ' ILE . 19.5 mt -64.84 -21.41 66.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.6 mt -92.73 122.58 35.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 71.1 mtm -120.59 160.2 45.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 116.23 4.53 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.791 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 54.88 3.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -100.98 156.3 35.29 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.6 m 58.53 75.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.049 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -82.47 136.23 15.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 63.39 5.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.6 p -44.65 -57.42 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 m -83.25 158.76 22.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.964 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 m -146.16 116.54 7.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.65 163.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.89 75.67 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -68.34 142.2 55.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.016 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 p -169.35 112.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.038 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.99 -82.73 0.23 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -115.28 113.39 43.46 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.464 0.744 . . . . 0.0 110.281 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.07 39.33 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 137.22 21.19 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -138.8 107.69 5.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -95.51 154.6 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -88.31 130.23 35.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.465 ' CD2' HD13 ' A' ' 32' ' ' ILE . 5.7 mt -79.5 147.23 32.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -58.29 167.7 1.56 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -17.46 19.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.453 1.765 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mtm-85 -97.12 -26.66 14.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' C ' ' N ' ' A' ' 20' ' ' ARG . 6.8 tp -92.14 -46.56 7.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.86 -31.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 18' ' ' LEU . 2.1 mtp-105 -94.36 -46.29 7.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.7 tp -40.64 -59.99 1.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.6 mt -83.74 -39.79 19.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.7 9.61 45.92 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.586 1.178 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.419 ' CG2' HD13 ' A' ' 14' ' ' LEU . 4.5 mt -92.26 107.97 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 0.764 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -59.43 -64.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 m -152.07 115.61 4.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 110.402 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.46 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -137.4 -171.52 2.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.477 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 74.3 p -81.72 -168.76 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.435 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.625 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 8.5 ttp-105 -83.28 -43.99 0.84 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.03 -7.92 19.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.527 1.804 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.46 HG11 ' CG ' ' A' ' 27' ' ' GLN . 34.5 t -100.85 -27.01 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.465 HD13 ' CD2' ' A' ' 14' ' ' LEU . 89.9 mt -88.6 -42.83 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.473 ' HB ' ' O ' ' A' ' 29' ' ' ARG . 1.7 tt -56.31 -42.09 72.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' TRP . 30.0 mm-40 -64.13 -63.4 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.241 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.43 -29.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.534 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 6.0 tp -80.34 -51.09 9.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.471 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 78.6 m95 -53.09 -44.99 68.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 107.974 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -60.08 -14.23 15.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.56 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.2 t80 -86.45 -47.35 9.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 111.038 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.453 ' CD1' HG21 ' A' ' 54' ' ' VAL . 62.5 mt -69.38 -22.85 25.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.8 -47.72 11.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.0 m -73.59 -43.5 59.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.418 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.56 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.2 m-70 -82.84 1.34 39.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.596 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' HIS . 1.5 mmpt? 39.51 59.94 1.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.469 ' CD1' HD13 ' A' ' 60' ' ' LEU . 83.9 mt -84.3 0.83 47.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.428 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.1 tt0 -52.11 126.73 19.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 50' ' ' GLU . 28.3 t70 -58.91 129.12 85.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -17.35 19.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.512 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -79.3 -54.99 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.644 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.8 mm-40 -108.3 -174.13 2.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.428 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 6.3 mmt180 -120.52 -6.67 9.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.584 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 7.0 pm0 -111.76 -10.52 14.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.584 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 38.0 m-85 -95.37 165.4 12.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.535 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -143.76 117.69 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 68' ' ' ARG . 14.2 mt -77.82 102.15 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 32.7 m -52.64 137.51 30.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 108.315 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -179.13 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.559 ' HE3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -56.55 -32.63 65.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.559 ' CE1' ' HE3' ' A' ' 58' ' ' LYS . 12.7 m-30 -74.28 -55.32 6.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.469 HD13 ' CD1' ' A' ' 45' ' ' LEU . 88.8 mt -60.81 -38.16 84.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -57.07 -20.81 27.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.26 -13.96 19.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.428 ' CG2' HD11 ' A' ' 81' ' ' LEU . 12.2 mt -101.71 -64.38 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.536 ' CE2' ' HB3' ' A' ' 77' ' ' ARG . 30.3 m-85 -71.46 -35.66 70.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 66.86 30.17 7.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.02 95.07 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.042 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -43.84 -47.09 8.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.469 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . 6.8 ttp180 -143.65 122.76 12.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.254 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.96 168.15 20.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -87.67 143.91 26.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.535 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 4.2 m-85 -53.27 -24.57 11.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.8 m -80.38 -11.35 59.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.034 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -96.48 1.64 51.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.1 mm -74.8 -45.05 5.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.01 -12.86 21.5 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.487 1.783 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -93.43 -14.53 26.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.536 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -104.05 -12.88 16.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 81' ' ' LEU . 8.8 mt -70.8 -41.93 70.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -40.83 -36.88 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.619 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.15 -49.23 52.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 78' ' ' LEU . 14.7 mt -66.71 -17.42 64.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 78' ' ' LEU . 63.5 mt -95.81 121.44 37.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 75.6 mtm -119.55 159.21 46.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.42 3.79 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.533 1.807 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -166.58 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.799 . . . . 0.0 111.053 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -62.82 158.65 51.02 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -35.66 3.06 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.521 1.801 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 t -166.48 121.88 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 110.076 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -139.88 -157.91 7.42 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 178.35 7.39 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.54 1.81 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.55 138.86 50.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.079 . . . . 0.0 109.999 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.3 t -138.54 150.45 46.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.5 m -138.96 103.99 4.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 110.017 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t 62.37 99.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.965 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.92 -99.88 0.31 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 m -111.96 169.11 9.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.737 . . . . 0.0 109.958 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.42 172.46 9.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.025 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.97 132.55 7.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.441 1.088 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 40.17 81.85 0.24 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 110.316 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 172.19 16.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.764 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 161.47 38.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.556 1.819 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.406 ' O ' ' CG ' ' A' ' 85' ' ' PRO . 13.5 mt-30 -159.31 108.74 1.89 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.419 ' CE2' ' NH2' ' A' ' 29' ' ' ARG . 53.1 m-85 -99.7 146.89 26.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -80.71 131.06 35.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mt -83.78 143.96 29.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -55.27 166.08 0.96 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -16.7 20.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -97.29 -26.83 14.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 21' ' ' LEU . 7.2 tp -92.41 -45.56 8.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -45.32 -29.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.13 -29.66 15.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' LEU . 11.7 tp -60.12 -61.17 2.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.7 mt -83.21 -33.02 26.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.21 16.26 53.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 27' ' ' GLN . 5.5 mt -97.46 100.76 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -50.99 -64.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.566 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.5 m -155.0 115.17 3.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.436 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.466 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 0.8 OUTLIER -133.06 -168.76 2.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.519 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 17.7 p -84.36 -177.89 6.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.577 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -76.22 -46.58 3.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 110.288 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -74.96 -5.6 17.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.519 ' CG2' ' OG1' ' A' ' 28' ' ' THR . 40.5 t -99.22 -29.17 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.503 ' CD1' ' O ' ' A' ' 28' ' ' THR . 22.8 mt -87.64 -54.79 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.603 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.1 tt -41.85 -45.11 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' ALA . 15.6 mm-40 -65.24 -61.25 2.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.63 -42.61 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.241 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 5.7 tp -67.91 -50.6 55.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.603 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 62.0 m95 -52.53 -42.02 63.99 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -62.62 -12.08 20.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.57 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 6.0 t80 -87.39 -47.48 8.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.425 ' CD1' HG23 ' A' ' 54' ' ' VAL . 26.2 mt -70.3 -20.85 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -84.5 -46.05 12.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 m -75.97 -44.03 41.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.358 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.57 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.0 m-70 -81.69 2.09 31.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.62 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 43' ' ' HIS . 1.4 mtpt 38.8 58.61 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.468 ' CD1' HD12 ' A' ' 60' ' ' LEU . 90.0 mt -85.74 4.2 37.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.57 133.23 30.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 50' ' ' GLU . 22.9 t70 -66.44 126.98 93.06 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -15.07 21.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.477 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.6 OUTLIER -81.29 -56.08 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.609 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.462 ' O ' ' O ' ' A' ' 47' ' ' ASP . 3.1 mm-40 -111.75 -175.62 2.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -116.16 -19.69 10.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.596 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 9.9 pm0 -96.06 -16.14 21.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.596 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 56.2 m-85 -93.85 166.96 11.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.602 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -148.36 127.77 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.466 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 4.1 mt -83.3 115.63 22.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 60' ' ' LEU . 11.1 m -70.99 127.0 31.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.279 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.49 -178.82 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -49.77 -57.37 7.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.534 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 3.9 m-30 -51.69 -58.18 7.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.468 HD12 ' CD1' ' A' ' 45' ' ' LEU . 95.9 mt -54.96 -44.14 74.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -57.24 -18.58 16.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -99.42 -13.72 19.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.468 ' CG2' HD22 ' A' ' 81' ' ' LEU . 65.7 mt -102.22 -60.1 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.571 ' CD1' ' HE2' ' A' ' 69' ' ' MET . 37.0 m-85 -76.93 -36.42 56.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 67.92 30.02 6.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.81 95.91 4.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.977 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.52 -44.84 26.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.466 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 15.4 ttt180 -139.88 122.33 16.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.571 ' HE2' ' CD1' ' A' ' 64' ' ' PHE . 0.9 OUTLIER -139.44 166.12 25.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.573 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -86.93 142.63 27.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.602 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 2.1 m-85 -52.55 -29.01 23.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.412 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 0.3 OUTLIER -78.75 -11.54 59.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.946 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -95.42 -1.13 51.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.3 mm -72.11 -45.85 11.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.99 -12.2 21.52 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.521 1.8 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -85.54 -19.36 31.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.341 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -102.67 -21.12 14.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 82' ' ' LEU . 7.3 mt -60.18 -43.28 95.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -43.15 -34.72 1.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.564 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.08 -45.22 58.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.468 HD22 ' CG2' ' A' ' 63' ' ' ILE . 11.0 mt -72.36 -14.01 61.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 78' ' ' LEU . 49.6 mt -101.08 112.65 25.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 75.5 mtm -113.37 160.13 32.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 113.98 3.92 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.406 ' CG ' ' O ' ' A' ' 11' ' ' GLN . 18.3 Cg_endo -74.96 54.87 3.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -130.55 155.86 80.52 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.245 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.509 1.794 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.8 m 53.96 84.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -118.94 145.72 18.25 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 120.28 6.0 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.537 1.809 . . . . 0.0 111.0 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 t -95.87 155.94 16.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.8 t -99.39 92.34 5.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 110.936 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.8 p -62.3 160.18 13.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -155.85 98.43 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.035 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.19 -179.49 30.21 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.3 t 179.27 160.86 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.985 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.83 -54.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.42 -115.29 1.42 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.89 119.52 38.39 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.747 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 159.18 41.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 166.13 29.84 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -162.59 116.59 1.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -105.1 147.38 27.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 ttpp -79.47 131.5 36.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 mt -84.51 142.87 29.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -53.79 166.67 0.58 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -15.39 20.74 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 110.972 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.9 mtm-85 -97.1 -28.55 14.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.446 ' C ' ' N ' ' A' ' 20' ' ' ARG . 8.1 tp -91.73 -47.57 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.97 -30.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.446 ' N ' ' C ' ' A' ' 18' ' ' LEU . 9.6 mtp180 -94.18 -48.07 6.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.349 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.7 tp -41.2 -61.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.9 mt -82.31 -34.04 28.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.27 6.54 62.85 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.463 1.102 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 mt -87.07 107.4 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -59.5 -61.29 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.611 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.8 m -157.14 111.08 2.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.402 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.487 ' CG ' HG13 ' A' ' 31' ' ' VAL . 1.2 mp0 -127.47 -170.9 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.496 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 81.9 p -82.91 -169.1 2.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.623 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 17.6 ttp180 -83.37 -44.11 0.83 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.99 -6.26 17.84 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.487 HG13 ' CG ' ' A' ' 27' ' ' GLN . 20.5 t -100.58 -33.87 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 28' ' ' THR . 58.3 mt -79.16 -43.93 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.227 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.601 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.2 tt -55.17 -41.51 60.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' TRP . 63.6 mm-40 -69.81 -62.87 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.43 -30.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 5.4 tp -80.63 -51.69 8.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 57.3 m95 -51.95 -45.84 64.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 108.021 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -58.06 -16.1 11.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.639 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.1 t80 -84.43 -46.8 11.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.427 ' CD1' HG22 ' A' ' 54' ' ' VAL . 65.4 mt -66.91 -24.11 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 0.0 109.354 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -84.5 -50.41 7.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.8 m -68.66 -39.7 80.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.639 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.2 m-70 -88.84 -2.22 58.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.616 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.8 mttt 43.68 58.69 3.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.464 ' CD1' HD13 ' A' ' 60' ' ' LEU . 53.3 mt -82.39 1.99 34.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.1 tt0 -51.49 128.14 22.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' A' ' 50' ' ' GLU . 33.4 t70 -63.06 130.23 93.99 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.73 20.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.548 1.815 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.516 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -83.44 -57.22 3.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.6 mm-40 -111.22 167.34 10.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.421 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 1.3 mmt-85 -104.82 -5.56 21.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.59 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 10.3 pm0 -104.99 -22.78 13.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.59 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 61.0 m-85 -90.48 167.8 12.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.522 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -146.45 120.49 2.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.464 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 6.9 mt -78.1 116.7 18.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.0 m -69.21 138.14 53.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 108.282 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -72.89 166.99 21.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.507 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -41.21 -41.65 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.507 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 12.3 m-85 -65.48 -63.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' ' 45' ' ' LEU . 83.8 mt -53.0 -40.19 63.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -57.86 -19.95 32.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -98.96 -12.8 20.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.401 ' CG2' HD22 ' A' ' 81' ' ' LEU . 47.7 mt -101.75 -63.02 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.563 ' CZ ' HD11 ' A' ' 81' ' ' LEU . 27.2 m-85 -73.22 -36.59 66.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 69.88 30.07 3.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.348 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.31 91.97 3.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.2 -45.22 16.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.464 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 17.7 ttt180 -138.85 122.06 16.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.514 ' HE2' ' CD1' ' A' ' 64' ' ' PHE . 0.3 OUTLIER -139.13 166.41 24.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 111.036 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -88.18 143.83 26.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 2.6 m-85 -52.68 -25.92 12.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.416 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 48.1 t -82.74 -11.56 58.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -95.86 1.49 53.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.623 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.5 mm -76.42 -45.64 3.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.94 -12.07 21.62 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.472 1.775 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -92.05 -16.55 26.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.344 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.453 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -101.71 -16.32 16.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 82' ' ' LEU . 8.5 mt -65.58 -42.28 91.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -39.96 -37.54 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.572 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.94 -51.72 36.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.563 HD11 ' CZ ' ' A' ' 64' ' ' PHE . 11.9 mt -65.85 -18.91 65.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 78' ' ' LEU . 89.0 mt -95.29 119.8 34.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 73.7 mtm -118.92 159.91 42.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 116.12 4.49 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.416 1.746 . . . . 0.0 111.042 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.92 3.79 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.22 155.21 3.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.6 m 50.29 77.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -47.79 158.11 0.72 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -46.27 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.526 1.803 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.99 160.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 79.2 p 47.9 93.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 110.006 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t 53.52 92.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.782 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 p -152.58 151.71 30.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.97 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.16 72.48 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -128.4 -60.29 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.985 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -51.3 146.32 7.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.89 162.98 15.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 43.57 91.68 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.492 0.76 . . . . 0.0 110.322 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 160.79 39.69 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.519 1.799 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 104.58 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.789 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -113.12 127.57 56.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.342 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -111.74 156.26 22.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -90.68 130.92 36.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.486 HD23 ' CG2' ' A' ' 32' ' ' ILE . 5.2 mt -81.89 146.76 29.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -58.83 167.55 1.85 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -16.39 20.21 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 110.974 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -97.1 -27.28 14.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.443 ' C ' ' N ' ' A' ' 20' ' ' ARG . 6.4 tp -92.34 -47.67 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.38 -30.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.443 ' N ' ' C ' ' A' ' 18' ' ' LEU . 1.7 ptm180 -95.13 -39.81 9.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.461 ' CD2' HD22 ' A' ' 60' ' ' LEU . 10.9 tp -48.12 -60.86 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.5 mt -83.55 -34.72 25.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.83 15.5 52.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.3 mt -96.17 99.66 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.761 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -49.95 -66.51 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.625 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.421 ' O ' ' CD ' ' A' ' 27' ' ' GLN . 2.7 m -151.72 121.07 6.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.505 ' CG ' ' CG1' ' A' ' 31' ' ' VAL . 1.5 mp0 -142.55 -167.59 2.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.437 ' OG1' ' HB ' ' A' ' 31' ' ' VAL . 46.6 p -85.35 -166.78 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.36 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.585 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 12.4 ttp85 -83.66 -46.42 0.78 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.99 -6.81 18.53 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.439 1.757 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.505 ' CG1' ' CG ' ' A' ' 27' ' ' GLN . 44.2 t -101.04 -22.51 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.486 ' CG2' HD23 ' A' ' 14' ' ' LEU . 86.7 mt -97.36 -40.47 10.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.467 ' HB ' ' O ' ' A' ' 29' ' ' ARG . 3.1 tt -58.73 -40.58 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -65.65 -58.95 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.39 -27.31 0.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.487 HD23 ' CG2' ' A' ' 74' ' ' ILE . 5.4 tp -82.51 -47.43 12.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.441 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 60.9 m95 -55.06 -43.38 73.78 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.02 -14.6 49.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.738 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 6.5 t80 -84.06 -45.5 12.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.9 mt -67.13 -24.87 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -84.13 -49.07 9.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.6 m -69.62 -37.3 76.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.376 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.738 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 5.4 m170 -92.22 1.07 57.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 43' ' ' HIS . 8.2 mttt 39.62 59.53 1.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.46 ' CD1' HD11 ' A' ' 60' ' ' LEU . 80.1 mt -84.97 1.25 48.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.427 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.2 tt0 -51.65 129.72 26.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 50' ' ' GLU . 26.7 t70 -64.45 128.18 93.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -11.45 21.6 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.493 1.786 . . . . 0.0 111.047 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.581 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -83.27 -51.37 7.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.561 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.462 ' O ' ' O ' ' A' ' 47' ' ' ASP . 3.1 mm-40 -116.76 -174.23 2.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.427 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.27 -15.59 9.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.311 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.618 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 6.5 pm0 -98.79 -22.56 15.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.618 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 54.5 m-85 -87.0 166.33 15.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.564 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -147.83 121.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.478 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 2.6 mt -81.8 115.47 21.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.2 m -65.46 139.0 58.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 108.272 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.71 -177.55 1.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.457 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 1.6 ptpt -57.19 -39.47 75.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.457 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 14.1 m-85 -68.31 -53.18 26.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 64' ' ' PHE . 95.8 mt -61.33 -41.9 97.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -55.32 -18.77 7.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -99.03 -15.29 19.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.439 HG23 ' CD2' ' A' ' 81' ' ' LEU . 8.9 mt -101.59 -59.64 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.496 ' CD1' ' HE1' ' A' ' 69' ' ' MET . 38.4 m-85 -76.35 -39.47 53.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 68.91 30.17 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.12 94.13 4.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -45.34 -44.85 12.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 13.0 ttt180 -143.99 123.57 13.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.496 ' HE1' ' CD1' ' A' ' 64' ' ' PHE . 0.3 OUTLIER -139.31 166.25 25.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.944 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.591 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -86.97 142.72 27.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.615 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 3.2 m-85 -53.78 -20.23 5.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.1 -11.69 56.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -97.53 0.84 48.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.629 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 3.1 mm -74.65 -44.94 5.46 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.0 -13.76 21.32 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -93.45 -16.61 24.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.86 -18.61 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 82' ' ' LEU . 7.2 mt -64.64 -39.59 93.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -43.39 -38.07 2.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.594 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.22 -47.91 72.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.491 HD11 ' CZ ' ' A' ' 64' ' ' PHE . 13.6 mt -70.41 -20.27 62.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 78' ' ' LEU . 81.7 mt -92.39 120.01 32.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.408 ' CE ' ' HA ' ' A' ' 15' ' ' ASP . 30.9 mtm -117.38 158.24 45.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 115.67 4.36 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 54.94 3.83 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -124.03 154.48 68.01 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' A' ' 88' ' ' SER . 18.3 Cg_endo -74.96 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.764 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 87' ' ' PRO . 0.3 OUTLIER 83.72 -49.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.015 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -57.86 170.2 4.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 84.22 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.498 1.789 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 t -115.88 145.23 43.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.977 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.4 t -119.32 -57.32 2.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.972 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 p -64.85 137.05 57.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.78 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -68.69 -46.33 69.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.37 71.5 0.51 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 p -65.29 145.11 56.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -176.02 131.08 0.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.095 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.95 -130.36 47.61 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -83.32 152.91 65.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 169.15 23.26 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.48 18.24 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.517 1.798 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -164.64 127.35 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -115.13 145.79 42.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 tmmt? -79.74 126.56 31.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mt -79.03 143.74 35.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -55.75 167.14 0.86 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -15.35 20.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.542 1.812 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -97.5 -27.98 14.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.438 ' C ' ' N ' ' A' ' 20' ' ' ARG . 6.8 tp -92.11 -47.71 7.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.94 -30.74 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.438 ' N ' ' C ' ' A' ' 18' ' ' LEU . 3.9 ptm180 -95.13 -40.99 9.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.424 ' CD2' HD12 ' A' ' 18' ' ' LEU . 12.8 tp -45.07 -60.15 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.3 mt -84.72 -35.85 22.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.19 -0.42 57.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.6 mt -82.2 109.88 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -61.29 -64.38 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.567 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -152.28 114.13 4.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.399 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.443 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -132.99 -169.61 2.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.427 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 76.7 p -83.59 -168.25 2.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.604 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 6.1 ttp-105 -84.07 -45.2 0.76 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -75.04 -5.78 17.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.534 1.807 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.443 HG11 ' CG ' ' A' ' 27' ' ' GLN . 31.2 t -100.84 -30.75 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.1 mt -85.37 -51.06 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.486 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.4 tt -46.04 -45.04 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 37' ' ' TRP . 4.8 mm-40 -64.66 -60.64 2.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.09 -29.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.581 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 6.0 tp -80.92 -51.16 8.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.486 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 86.8 m95 -52.41 -46.23 66.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 108.028 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -59.64 -14.75 15.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.263 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.589 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.1 t80 -86.41 -48.53 8.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.7 mt -66.51 -22.3 29.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -85.29 -50.82 7.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.234 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.0 m -69.63 -39.8 76.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.433 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.589 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 5.9 m-70 -88.61 4.66 46.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' HIS . 9.6 mmtt 40.18 59.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.244 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.542 ' CD1' ' CD1' ' A' ' 60' ' ' LEU . 81.1 mt -81.9 -4.12 55.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.9 OUTLIER -51.91 126.3 17.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.278 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 50' ' ' GLU . 32.7 t70 -59.67 130.8 88.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.27 21.48 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.519 1.799 . . . . 0.0 111.032 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.563 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -85.13 -54.68 4.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.58 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.457 ' O ' ' O ' ' A' ' 47' ' ' ASP . 5.8 mm-40 -110.56 -175.7 2.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.1 -13.82 9.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.614 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 1.3 pm0 -100.99 -19.67 15.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.614 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 55.2 m-85 -89.61 166.25 13.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.573 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -145.9 122.68 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.445 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 6.3 mt -81.71 111.63 18.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 33.7 m -64.62 134.06 53.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 108.333 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.36 -179.49 2.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -51.8 -45.9 64.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.526 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 4.3 m-30 -62.41 -61.4 2.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.542 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 98.4 mt -52.23 -41.88 63.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -57.3 -19.19 20.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -99.29 -14.28 19.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.406 HG22 ' CD2' ' A' ' 81' ' ' LEU . 13.1 mt -101.67 -60.06 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.567 ' CD1' ' HE3' ' A' ' 69' ' ' MET . 40.9 m-85 -77.62 -40.87 40.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 70.81 30.24 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.243 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.23 94.65 4.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -41.83 -47.24 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.463 ' NE ' ' CD2' ' A' ' 53' ' ' PHE . 8.1 ttp180 -147.33 124.18 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.567 ' HE3' ' CD1' ' A' ' 64' ' ' PHE . 0.8 OUTLIER -138.15 163.33 31.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.573 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -82.07 142.57 32.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.9 m-85 -52.43 -28.57 20.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 38.8 t -76.41 -12.56 60.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -96.07 3.56 53.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.3 mm -74.92 -45.99 4.97 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.02 -10.86 21.36 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.553 1.817 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -91.05 -18.67 24.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -101.56 -23.43 14.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' LEU . 7.3 mt -59.11 -37.71 77.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -46.55 -28.26 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.614 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.81 -45.49 28.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.563 HD12 ' CZ ' ' A' ' 64' ' ' PHE . 11.8 mt -75.08 -10.54 59.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 78' ' ' LEU . 83.7 mt -103.69 117.27 33.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 28.7 mtm -118.35 158.54 46.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 114.31 4.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.498 1.788 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 171.69 17.83 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.53 1.805 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -102.75 158.84 30.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -30.53 7.05 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.51 87.49 2.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.039 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -149.8 124.06 1.7 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 110.962 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 102.08 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.461 1.769 . . . . 0.0 111.021 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 t -74.0 89.43 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.8 t 45.77 84.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.046 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.445 1.091 . . . . 0.0 110.972 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.1 t -117.86 160.05 22.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 109.97 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.9 p -122.75 156.71 33.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.5 138.27 3.59 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.52 1.138 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -145.41 168.61 20.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.973 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -119.49 154.62 33.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.96 -116.77 9.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -44.28 153.19 0.45 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 161.72 38.33 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 171.57 18.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -166.69 113.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -104.58 146.38 28.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 ttpp -80.74 129.54 34.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.448 ' CD2' HD21 ' A' ' 82' ' ' LEU . 4.5 mt -83.42 143.5 30.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -53.01 167.37 0.41 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -17.55 19.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.772 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -96.67 -26.74 15.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.442 ' C ' ' N ' ' A' ' 20' ' ' ARG . 7.2 tp -92.14 -47.69 7.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.91 -30.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.358 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.442 ' N ' ' C ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -95.08 -46.31 6.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.424 ' CD2' HD22 ' A' ' 60' ' ' LEU . 14.5 tp -40.48 -58.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.5 mt -86.59 -35.14 19.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.83 12.98 54.87 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.404 ' CG2' ' HB2' ' A' ' 27' ' ' GLN . 10.7 mt -93.39 104.78 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 0.777 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -58.84 -60.14 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.583 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.2 m -156.99 112.32 2.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 110.432 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.455 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -132.18 -170.16 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.536 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 34.2 p -82.24 -176.06 5.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.455 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.609 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 3.6 ttt-85 -78.92 -44.8 1.81 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.04 -6.21 17.74 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.466 1.772 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.536 ' CG2' ' OG1' ' A' ' 28' ' ' THR . 42.3 t -99.13 -33.1 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.3 mt -82.32 -55.43 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.569 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.1 tt -41.01 -44.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 37' ' ' TRP . 14.2 mt-30 -67.35 -59.53 3.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.75 -30.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.515 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 5.9 tp -81.76 -51.54 8.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.569 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 85.5 m95 -51.91 -45.14 64.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 108.008 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -59.29 -14.76 12.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.584 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.4 t80 -86.18 -47.54 9.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.431 ' CG2' ' HB2' ' A' ' 45' ' ' LEU . 41.9 mt -67.42 -24.1 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -82.78 -50.75 8.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.4 m -69.66 -43.55 72.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.584 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 5.7 m-70 -84.75 3.98 34.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.604 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.2 mttt 41.03 58.35 2.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.464 ' CD1' HD12 ' A' ' 60' ' ' LEU . 91.2 mt -79.44 -3.33 46.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.9 OUTLIER -51.32 123.42 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' A' ' 50' ' ' GLU . 36.2 t70 -59.58 132.22 88.54 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -14.51 21.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.451 1.763 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.568 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -84.43 -57.08 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.587 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.458 ' O ' ' O ' ' A' ' 47' ' ' ASP . 6.7 mm-40 -113.38 173.24 6.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.442 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -107.06 -13.78 15.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.597 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 4.8 pm0 -97.14 -20.76 17.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.346 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.597 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 58.0 m-85 -91.04 167.52 12.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.602 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -148.02 122.25 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.414 ' CD2' ' OD1' ' A' ' 47' ' ' ASP . 6.0 mt -78.54 108.45 11.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 20.8 m -62.49 128.88 38.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 108.291 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -178.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -54.74 -47.12 74.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.529 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 4.1 m-30 -61.02 -56.39 21.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.464 HD12 ' CD1' ' A' ' 45' ' ' LEU . 90.7 mt -56.2 -42.72 77.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -56.11 -17.88 8.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -99.01 -15.08 19.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.422 HG22 ' CD2' ' A' ' 81' ' ' LEU . 13.3 mt -101.67 -58.5 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.484 ' CD1' ' HE2' ' A' ' 69' ' ' MET . 38.7 m-85 -78.07 -40.38 38.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 69.46 30.78 3.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.04 94.82 4.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -42.01 -47.64 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.264 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.547 ' NE ' ' CD2' ' A' ' 53' ' ' PHE . 6.0 ttp180 -142.51 123.13 14.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.484 ' HE2' ' CD1' ' A' ' 64' ' ' PHE . 2.0 ptm -138.15 162.05 35.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -80.18 140.46 36.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.602 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 2.3 m-85 -51.62 -32.2 28.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 t -73.64 -12.29 60.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -95.85 3.49 53.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.422 1.076 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.616 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.1 mm -75.19 -45.95 4.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.0 -11.47 21.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.46 1.768 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -88.62 -17.26 30.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.438 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -104.8 -16.88 14.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' LEU . 8.9 mt -66.0 -42.78 89.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 75' ' ' PRO . 98.4 m-70 -42.56 -34.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.6 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.89 -47.01 55.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 78' ' ' LEU . 16.3 mt -70.74 -17.58 62.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' LEU . 61.5 mt -97.36 110.21 22.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 50.2 mtm -110.19 159.04 33.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 113.55 3.82 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 55.53 3.96 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.435 ' C ' ' H ' ' A' ' 88' ' ' SER . 0.3 OUTLIER -127.59 156.11 75.9 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 40.03 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.435 ' H ' ' C ' ' A' ' 86' ' ' GLU . 14.0 t -161.22 108.84 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.035 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -168.44 148.34 12.43 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 176.91 9.3 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.444 1.76 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 t -112.72 103.53 11.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.8 t -117.48 -58.63 2.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -156.81 -61.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 0.785 . . . . 0.0 109.962 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.09 141.9 21.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.4 118.72 5.1 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.1 p -176.84 130.3 0.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 109.968 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m 50.4 86.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.426 1.079 . . . . 0.0 109.971 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.88 -125.49 4.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -55.68 137.02 71.26 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 163.92 34.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 143.28 28.76 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -142.89 109.32 5.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 29' ' ' ARG . 15.9 m-85 -102.04 151.66 21.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -92.15 131.12 37.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.451 ' CD1' HG22 ' A' ' 24' ' ' ILE . 3.8 mt -81.97 146.14 29.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.6 167.37 1.38 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.232 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.61 20.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.85 -27.76 14.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.441 ' C ' ' N ' ' A' ' 20' ' ' ARG . 7.3 tp -92.1 -47.45 7.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.31 -31.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.441 ' N ' ' C ' ' A' ' 18' ' ' LEU . 2.7 mpt_? -93.92 -48.81 6.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' ARG . 10.6 tp -39.96 -59.79 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.1 mt -83.6 -32.7 25.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.04 -9.87 63.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.451 HG22 ' CD1' ' A' ' 14' ' ' LEU . 35.7 mt -71.4 135.12 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -90.42 -64.37 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.578 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 m -158.16 136.56 11.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 110.38 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.434 ' NE2' HG23 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -175.15 -166.97 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.258 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.544 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 14.9 p -64.98 175.01 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.666 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 7.7 ttp-105 -78.62 -41.07 1.78 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.1 -4.62 15.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.544 ' CG2' ' OG1' ' A' ' 28' ' ' THR . 19.8 t -97.65 -19.18 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.433 ' CD1' ' O ' ' A' ' 28' ' ' THR . 5.6 mt -101.26 -44.19 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.53 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.4 tt -51.54 -42.11 28.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.425 ' N ' HG21 ' A' ' 33' ' ' ILE . 24.8 mm-40 -63.5 -47.24 82.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.436 ' CB ' ' CD1' ' A' ' 24' ' ' ILE . . . -55.64 -24.46 33.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.603 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 6.0 tp -85.96 -47.14 9.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.53 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 95.4 m95 -55.49 -42.29 74.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 108.033 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -67.4 -15.1 63.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.735 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 8.0 t80 -85.05 -44.69 12.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.443 HG22 ' CG2' ' A' ' 54' ' ' VAL . 30.9 mt -69.5 -25.25 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.48 -49.8 10.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m -68.74 -43.92 74.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.735 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 5.6 m-70 -82.41 -1.72 50.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.62 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt 47.5 57.08 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.463 ' CD1' HD13 ' A' ' 60' ' ' LEU . 90.0 mt -81.59 -5.49 58.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.427 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.9 OUTLIER -51.51 125.88 15.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.44 ' O ' ' O ' ' A' ' 50' ' ' GLU . 36.8 t70 -59.57 132.02 88.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -12.99 21.53 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.782 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.566 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -85.58 -54.64 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.585 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 47' ' ' ASP . 2.8 mm-40 -110.76 -174.21 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.427 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.13 -18.46 9.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 110.334 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.617 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 6.4 pm0 -95.73 -23.6 16.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.617 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 52.1 m-85 -85.48 165.44 17.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.587 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -145.64 124.34 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.436 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 6.2 mt -82.98 100.45 10.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 60.4 m -51.83 141.14 17.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 108.325 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.06 174.15 11.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.494 ' HE2' ' CZ ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -48.71 -33.28 9.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.494 ' CZ ' ' HE2' ' A' ' 58' ' ' LYS . 14.3 m-85 -73.73 -62.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 45' ' ' LEU . 89.4 mt -54.26 -38.62 66.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -57.58 -19.85 28.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -99.4 -12.81 19.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.42 HG22 ' CD2' ' A' ' 81' ' ' LEU . 19.9 mt -101.92 -58.98 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' LEU . 31.2 m-85 -77.02 -36.21 56.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 68.59 30.49 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.93 98.29 5.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -48.74 -43.29 37.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.436 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 15.3 ttt180 -144.09 122.07 12.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.97 168.24 20.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.617 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -88.75 142.58 27.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.587 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.0 m-85 -55.97 -23.92 35.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.62 -13.9 59.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.37 7.33 46.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.606 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 1.4 mm -75.71 -46.23 4.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.97 -11.28 21.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.23 -17.52 23.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -102.98 -23.35 13.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.352 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 82' ' ' LEU . 6.7 mt -60.54 -39.66 88.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -41.02 -34.1 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.28 -50.92 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 78' ' ' LEU . 17.3 mt -67.84 -15.44 63.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 78' ' ' LEU . 82.9 mt -99.39 113.23 25.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 44.6 mtm -115.87 159.17 40.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 114.55 4.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 55.26 3.89 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -119.21 159.48 45.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.553 1.817 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 46.07 85.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.962 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -113.76 -146.65 9.51 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 89.08 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.448 1.762 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 t -40.79 105.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.7 m -151.41 119.74 6.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.94 158.69 15.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.69 171.32 12.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.37 167.7 23.74 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -169.21 126.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 110.012 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.92 164.42 25.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.41 -101.83 1.73 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.407 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 6.3 pt20 -133.66 64.4 67.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.457 0.739 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' A' ' 8' ' ' GLN . 18.2 Cg_endo -75.01 173.2 14.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.461 1.769 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.502 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 18.3 Cg_endo -74.97 168.99 23.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.528 1.804 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 10' ' ' PRO . 14.9 mt-30 -165.37 111.98 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.364 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.708 ' CZ ' ' CZ ' ' A' ' 29' ' ' ARG . 52.1 m-85 -101.17 148.71 24.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -77.99 132.98 38.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.51 ' CD1' ' O ' ' A' ' 24' ' ' ILE . 3.9 mt -85.41 144.74 27.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.513 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -54.63 162.12 1.88 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -16.2 20.19 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.772 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -97.46 -27.62 14.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 19' ' ' ALA . 6.8 tp -92.35 -45.81 8.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -38.49 -35.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -90.45 -47.82 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.257 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 20' ' ' ARG . 12.5 tp -40.16 -55.02 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.7 mt -87.14 -36.8 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.09 -16.88 38.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.51 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 85.3 mt -84.77 120.58 35.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.565 0.803 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -89.05 -36.6 15.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.576 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.466 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 9.2 m -146.86 139.14 24.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.38 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 26' ' ' THR . 1.5 tp-100 -175.44 -177.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.48 ' HB ' ' HD2' ' A' ' 30' ' ' PRO . 74.3 p -76.64 -170.01 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.458 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.708 ' CZ ' ' CZ ' ' A' ' 12' ' ' PHE . 4.3 tpp180 -84.49 -43.51 0.72 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.95 -9.98 21.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.431 1.753 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.464 ' CG1' ' HG2' ' A' ' 27' ' ' GLN . 77.6 t -101.49 -14.48 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CD1' HD21 ' A' ' 14' ' ' LEU . 42.4 mt -100.34 -36.3 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.551 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.0 OUTLIER -65.7 -43.91 93.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.439 ' N ' HG22 ' A' ' 33' ' ' ILE . 57.7 mm-40 -65.21 -58.54 5.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.87 -30.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.597 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 5.9 tp -81.59 -52.05 7.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.551 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 93.6 m95 -52.28 -45.56 65.52 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -14.3 17.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.503 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 5.4 t80 -86.19 -49.12 7.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.2 mt -68.11 -25.43 31.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -51.27 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.3 m -68.82 -44.29 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.408 ' CD2' ' O ' ' A' ' 39' ' ' TYR . 6.1 m-70 -83.05 0.5 44.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 109.609 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 mttt 40.45 59.41 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.466 ' CD1' HD13 ' A' ' 60' ' ' LEU . 85.3 mt -85.25 2.83 42.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.08 134.32 32.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.262 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' A' ' 50' ' ' GLU . 23.2 t70 -66.86 128.67 93.96 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.73 20.06 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.513 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -78.09 -53.69 7.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.619 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.443 ' O ' ' O ' ' A' ' 47' ' ' ASP . 9.0 mm-40 -111.79 -173.18 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.62 -10.27 10.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.574 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 9.6 pm0 -108.0 -15.64 14.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.574 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 36.5 m-85 -90.28 165.31 13.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.597 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -144.81 124.7 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 68' ' ' ARG . 10.4 mt -81.98 105.12 12.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.7 m -58.68 131.3 50.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 108.332 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.1 178.06 2.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.471 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 2.2 ptpt -53.33 -33.16 52.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.471 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 14.7 m-85 -72.44 -56.07 6.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.466 HD13 ' CD1' ' A' ' 45' ' ' LEU . 90.8 mt -60.64 -35.93 77.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -59.39 -19.85 50.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.098 . . . . 0.0 110.312 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -99.34 -13.63 19.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.459 HG23 ' CD2' ' A' ' 81' ' ' LEU . 11.8 mt -102.1 -61.98 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 77' ' ' ARG . 36.8 m-85 -76.38 -36.93 57.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 66.4 31.08 8.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 110.329 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.13 94.07 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -40.37 -48.33 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.475 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . 4.5 ttp180 -147.24 122.75 10.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.411 ' SD ' HD11 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.01 167.64 21.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 110.983 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -83.65 142.31 30.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.597 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.7 m-85 -52.3 -28.54 19.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 t -74.35 -12.98 60.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.973 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -95.56 5.71 50.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.597 ' CG2' ' CD2' ' A' ' 36' ' ' LEU . 1.6 mm -76.54 -46.88 3.25 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.1 Cg_endo -74.98 -11.46 21.52 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.496 1.787 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -91.56 -13.88 31.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.505 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -108.23 -11.77 15.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.281 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 81' ' ' LEU . 9.8 mt -73.57 -41.64 62.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.416 ' CD2' ' O ' ' A' ' 75' ' ' PRO . 96.8 m-70 -41.19 -36.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.62 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.53 -49.28 42.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.459 ' CD2' HG23 ' A' ' 63' ' ' ILE . 38.3 mt -65.07 -12.11 47.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.6 mt -101.24 122.89 44.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 61.8 mtm -123.35 160.51 50.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 113.56 3.82 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.01 156.57 87.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.0 t -116.06 105.38 12.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.18 -179.58 23.9 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 170.02 21.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.557 1.819 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.0 m -157.85 149.98 22.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.2 t -105.33 164.98 11.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 t 62.68 136.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 0.781 . . . . 0.0 109.962 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -116.29 -57.38 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.46 -175.23 26.01 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.496 1.122 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.19 -62.6 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 110.039 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m 47.74 92.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.998 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.97 -149.69 15.78 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -42.34 112.12 1.05 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 163.9 34.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 110.984 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.47 ' O ' ' CG2' ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.04 165.43 31.28 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.487 1.783 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -160.51 121.9 3.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.25 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -106.74 151.14 25.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -84.82 126.42 33.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.473 HD22 ' CD1' ' A' ' 32' ' ' ILE . 4.8 mt -78.91 144.66 34.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.47 167.14 1.39 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.16 20.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.798 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -96.89 -27.41 14.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 21' ' ' LEU . 7.8 tp -92.46 -47.55 7.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -44.82 -28.74 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.58 -30.12 13.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.458 ' CD2' HD22 ' A' ' 60' ' ' LEU . 14.4 tp -58.85 -61.4 2.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.4 mt -81.48 -34.08 31.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.16 17.3 43.76 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.9 mt -100.26 105.69 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -53.67 -67.04 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.612 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 m -151.3 121.37 7.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.493 ' CG ' ' CG1' ' A' ' 31' ' ' VAL . 1.9 mp0 -138.96 -171.31 3.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.553 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 36.2 p -81.44 -167.29 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.576 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 11.0 ttp180 -83.61 -47.22 0.77 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.01 -4.51 15.52 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.553 ' CG2' ' OG1' ' A' ' 28' ' ' THR . 47.0 t -100.83 -23.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.473 ' CD1' HD22 ' A' ' 14' ' ' LEU . 92.4 mt -95.66 -47.75 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.519 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.3 tt -48.94 -45.59 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 37' ' ' TRP . 7.8 mm100 -64.88 -61.18 2.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.52 -31.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.499 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.9 tp -78.55 -50.68 11.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.519 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 84.1 m95 -52.86 -46.33 67.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -58.41 -15.53 11.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.616 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.2 t80 -85.07 -47.62 10.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.419 HG22 ' CG2' ' A' ' 54' ' ' VAL . 47.9 mt -67.34 -24.42 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.24 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.77 -50.41 8.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.4 m -69.51 -43.82 72.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.386 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.616 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.9 m-70 -82.94 -3.38 57.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.61 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.2 mttt 44.69 58.13 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 60' ' ' LEU . 33.0 mt -82.23 0.83 39.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -51.4 131.55 28.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 50' ' ' GLU . 31.0 t70 -65.77 129.96 94.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -16.39 20.3 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.537 1.809 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.54 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -81.15 -55.56 4.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.572 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' A' ' 47' ' ' ASP . 3.5 mm-40 -109.04 -174.77 2.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.417 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -119.13 -16.21 9.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.592 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 7.9 pm0 -99.05 -19.81 17.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.592 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 53.0 m-85 -89.22 169.09 11.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.587 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 1.3 p -149.41 123.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.472 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 4.1 mt -80.76 114.55 19.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.5 m -63.89 141.72 58.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.52 173.74 12.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.495 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 4.8 ptpt -45.67 -41.0 9.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.495 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 11.3 m-85 -68.23 -62.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.981 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.458 HD22 ' CD2' ' A' ' 21' ' ' LEU . 78.4 mt -51.94 -40.34 60.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -58.06 -20.44 39.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.84 -13.16 20.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.427 ' CG2' HD22 ' A' ' 81' ' ' LEU . 25.1 mt -101.94 -60.82 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.537 ' CD1' ' HE2' ' A' ' 69' ' ' MET . 37.7 m-85 -75.08 -36.98 61.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.95 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 68.86 30.34 4.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.89 100.74 6.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -51.27 -43.16 61.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.472 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 11.9 ttt180 -141.65 122.96 14.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.537 ' HE2' ' CD1' ' A' ' 64' ' ' PHE . 1.9 ptm -139.37 166.34 24.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -89.41 143.32 26.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.587 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.4 m-85 -52.22 -34.17 44.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.28 -12.27 60.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.026 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -95.37 3.29 54.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.613 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.1 mm -76.12 -46.15 3.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.03 -11.22 21.42 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -91.8 -16.87 26.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.25 -16.05 15.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 82' ' ' LEU . 7.8 mt -67.01 -36.95 83.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -45.21 -32.5 1.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.585 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.22 -47.22 36.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.427 HD22 ' CG2' ' A' ' 63' ' ' ILE . 8.9 mt -70.89 -13.38 62.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 78' ' ' LEU . 84.7 mt -101.62 111.24 23.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 78.5 mtm -111.15 159.8 31.42 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 117.66 4.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.535 1.808 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 54.87 3.78 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.436 ' C ' ' H ' ' A' ' 88' ' ' SER . 11.8 mt-10 -130.61 154.94 81.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 40.79 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.457 1.767 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.436 ' H ' ' C ' ' A' ' 86' ' ' GLU . 5.1 t -172.05 120.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.048 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -158.23 -173.45 26.67 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -41.96 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.452 1.764 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 44.79 85.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.998 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.2 m -112.46 137.68 50.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.964 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.3 m -151.18 113.0 4.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.75 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.81 159.55 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.54 -105.21 0.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.74 169.2 9.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.2 t -140.58 103.75 4.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.964 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.29 -98.74 2.16 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -83.1 131.57 53.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.272 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 161.51 38.53 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 157.87 42.35 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.477 1.777 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -159.74 109.4 1.85 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -101.35 151.81 21.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 tmmt? -83.87 128.31 34.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.467 HD21 ' CD1' ' A' ' 32' ' ' ILE . 4.1 mt -81.37 144.2 31.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -54.73 167.24 0.63 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -17.11 19.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.432 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 25.7 mtm180 -97.21 -26.91 14.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.472 HD12 ' CD2' ' A' ' 21' ' ' LEU . 6.2 tp -92.15 -45.1 8.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.97 -33.11 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.432 ' NE ' ' HA ' ' A' ' 17' ' ' ARG . 25.2 ptt180 -93.47 -38.62 11.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.472 ' CD2' HD12 ' A' ' 18' ' ' LEU . 12.2 tp -48.06 -59.57 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.2 mt -86.65 -30.0 22.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.93 0.88 63.57 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.444 ' CG2' ' HB2' ' A' ' 27' ' ' GLN . 23.2 mt -86.58 113.68 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -72.7 -56.64 4.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.604 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.1 m -152.6 112.11 3.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.39 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.444 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 0.9 OUTLIER -139.16 -179.08 5.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.531 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 18.6 p -71.88 -179.03 2.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.615 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.8 ttt180 -78.6 -44.29 1.97 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.96 -5.79 17.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.531 ' CG2' ' OG1' ' A' ' 28' ' ' THR . 39.2 t -98.67 -35.62 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.467 ' CD1' HD21 ' A' ' 14' ' ' LEU . 65.5 mt -79.31 -52.52 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.582 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.3 tt -44.09 -41.55 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.423 ' N ' HG21 ' A' ' 33' ' ' ILE . 14.9 mm-40 -67.3 -61.03 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -42.31 -28.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 6.0 tp -81.57 -50.55 9.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.582 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 79.4 m95 -52.57 -45.05 66.29 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -60.53 -14.24 18.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.597 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.8 t80 -86.02 -46.66 10.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.462 ' CD1' HG23 ' A' ' 54' ' ' VAL . 67.3 mt -68.99 -23.65 27.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -48.39 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.7 m -71.91 -43.27 65.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.597 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.1 m-70 -83.82 2.17 39.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.093 . . . . 0.0 109.583 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 43' ' ' HIS . 2.0 mmpt? 39.46 60.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.472 ' CD1' HD12 ' A' ' 60' ' ' LEU . 45.9 mt -85.53 2.06 46.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.44 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.2 tm0? -51.63 127.86 21.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 50' ' ' GLU . 28.9 t70 -63.59 130.48 94.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -19.16 18.13 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.439 1.757 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.523 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -75.96 -54.91 6.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.588 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.519 ' CB ' ' CD1' ' A' ' 53' ' ' PHE . 4.1 mm-40 -108.66 -173.27 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.44 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -119.22 -10.47 9.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.614 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -109.41 -14.71 14.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 12.1 m-85 -88.28 167.68 13.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.488 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -147.77 119.81 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.423 ' CD2' ' HB2' ' A' ' 68' ' ' ARG . 12.8 mt -78.69 110.07 13.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 35.5 m -61.94 133.63 55.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 108.306 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -72.68 178.57 4.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -48.3 -48.55 35.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 8.0 m-30 -59.21 -63.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.472 HD12 ' CD1' ' A' ' 45' ' ' LEU . 94.3 mt -51.67 -40.95 60.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -56.32 -21.13 22.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.88 -13.58 21.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.43 HG21 ' CD2' ' A' ' 81' ' ' LEU . 15.3 mt -101.87 -61.35 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.513 ' CD1' ' HE1' ' A' ' 69' ' ' MET . 34.2 m-85 -75.86 -41.96 50.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 71.26 32.07 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.341 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' GLN . 0.4 OUTLIER -126.84 91.76 3.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.962 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -38.42 -49.63 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.423 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . 8.8 ttp180 -141.29 124.81 16.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.513 ' HE1' ' CD1' ' A' ' 64' ' ' PHE . 1.6 ptm -138.36 165.56 26.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 1.2 mttt -86.89 144.42 26.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.614 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 2.4 m-85 -52.57 -28.45 21.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.18 -11.62 59.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -96.14 2.88 53.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.338 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.3 mm -76.36 -45.26 3.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.03 -11.49 21.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.42 1.747 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -92.87 -14.86 27.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.489 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -106.08 -14.1 15.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 82' ' ' LEU . 7.8 mt -69.01 -37.49 78.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -45.59 -28.74 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.611 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.55 -44.3 29.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.43 ' CD2' HG21 ' A' ' 63' ' ' ILE . 8.1 mt -75.41 -12.01 60.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 78' ' ' LEU . 78.0 mt -102.29 119.17 38.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.434 ' CE ' ' HA ' ' A' ' 15' ' ' ASP . 57.7 mtm -122.84 159.54 53.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 115.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -177.95 3.84 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.52 1.8 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.449 ' C ' ' H ' ' A' ' 88' ' ' SER . 3.2 pt-20 -107.35 156.11 38.27 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 40.61 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.449 ' H ' ' C ' ' A' ' 86' ' ' GLU . 84.8 p -176.27 86.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -95.2 156.26 21.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -57.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.473 1.775 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 74.8 m -64.15 104.31 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.8 p -116.0 161.77 18.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.049 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.573 1.17 . . . . 0.0 111.043 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 p -143.57 145.31 32.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 110.019 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -130.87 146.86 52.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.017 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.08 120.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.5 p -158.82 93.82 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 109.961 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m -94.68 143.22 26.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.75 -136.51 3.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -52.11 140.53 32.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.559 0.799 . . . . 0.0 110.307 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 170.63 19.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.532 1.806 . . . . 0.0 110.988 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 140.51 25.56 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.51 1.795 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -146.11 113.84 6.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -105.18 144.15 32.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -78.42 131.6 36.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 mt -84.96 146.01 27.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -55.5 167.62 0.72 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -15.57 20.73 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.434 ' NH2' ' OD2' ' A' ' 15' ' ' ASP . 26.9 mtm180 -97.15 -28.21 14.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.431 ' C ' ' N ' ' A' ' 20' ' ' ARG . 7.6 tp -91.97 -48.18 6.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.48 -31.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' N ' ' C ' ' A' ' 18' ' ' LEU . 8.7 mtt180 -93.37 -46.56 7.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.34 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.6 tp -40.71 -59.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 mt -87.31 -29.73 21.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.47 -6.21 71.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.447 ' CG2' ' HB2' ' A' ' 27' ' ' GLN . 3.7 mt -75.24 106.4 4.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 0.744 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -63.77 -55.43 23.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.614 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 93.2 m -157.44 110.79 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.457 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -130.52 -169.28 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.521 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 37.0 p -83.09 -177.12 6.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.409 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.619 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 46.9 ttp85 -79.57 -43.84 1.6 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.09 -5.83 17.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.521 ' CG2' ' OG1' ' A' ' 28' ' ' THR . 38.1 t -99.31 -44.11 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.4 mt -68.25 -49.49 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.587 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.2 tt -48.77 -44.53 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' TRP . 15.4 mm100 -68.62 -61.21 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.44 -30.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.524 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 5.7 tp -81.02 -49.29 11.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 65.6 m95 -52.71 -43.12 65.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 107.99 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -62.01 -12.88 21.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.524 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 6.3 t80 -85.66 -48.97 8.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.459 ' CD1' HG21 ' A' ' 54' ' ' VAL . 42.5 mt -67.01 -24.75 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.47 -52.04 7.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.8 m -67.44 -43.14 81.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.439 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.435 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.9 m-70 -84.36 2.51 40.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.621 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' HIS . 22.2 mttt 39.0 58.11 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.2 mt -85.76 3.09 42.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.432 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.4 tt0 -51.16 133.52 27.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' A' ' 50' ' ' GLU . 64.1 t0 -65.95 125.66 90.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.423 ' HD2' ' OD1' ' A' ' 47' ' ' ASP . 18.2 Cg_endo -75.01 -10.58 21.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.779 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.468 ' CB ' ' OE2' ' A' ' 50' ' ' GLU . 3.1 m170 -83.04 -48.79 10.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.468 ' OE2' ' CB ' ' A' ' 49' ' ' HIS . 13.1 mp0 -119.95 -171.77 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.432 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 4.9 mmt-85 -119.96 -10.56 9.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.611 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 3.0 pm0 -107.29 -13.48 15.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.611 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 57.7 m-85 -96.14 167.43 11.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.517 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -145.22 130.26 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 mt -87.71 109.28 19.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 88.4 m -62.38 130.68 46.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 108.323 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.545 ' OD2' ' CD2' ' A' ' 59' ' ' TYR . 20.2 p-10 -68.61 -169.41 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -65.8 -33.3 75.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.545 ' CD2' ' OD2' ' A' ' 57' ' ' ASP . 12.4 m-30 -72.85 -52.55 14.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.54 -37.66 86.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -57.69 -18.93 23.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -99.23 -13.5 19.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.432 ' CG2' HD11 ' A' ' 81' ' ' LEU . 12.2 mt -102.29 -59.69 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 77' ' ' ARG . 42.1 m-85 -79.76 -40.18 29.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 70.69 29.92 3.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.66 94.74 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -42.37 -47.68 4.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -141.11 122.37 14.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.43 ' SD ' HG12 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.36 168.45 19.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 111.001 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.544 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 4.4 mttt -86.63 145.75 26.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.7 m-85 -54.49 -30.82 54.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.419 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 0.6 OUTLIER -76.74 -10.35 59.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.055 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -95.52 3.21 54.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 7.7 mt -77.89 -45.52 2.36 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.97 -12.12 21.57 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.516 1.798 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -89.64 -17.28 28.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.46 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -105.68 -8.66 17.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.297 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 81' ' ' LEU . 8.4 mt -74.07 -36.53 64.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -43.06 -33.57 0.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.603 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.5 -44.96 33.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' LEU . 13.9 mt -71.24 -10.84 60.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' LEU . 38.8 mt -106.07 112.85 26.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.371 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 66.1 mtm -117.86 158.91 44.58 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 115.42 4.27 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -173.76 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.788 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.71 157.97 75.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.2 m 50.0 89.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -160.92 164.05 34.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.564 1.165 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 116.03 4.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.4 p -150.58 134.06 16.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.979 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.39 157.4 16.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.981 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.21 167.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 110.005 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 t 179.63 148.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.21 172.81 38.41 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.556 1.16 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 m -139.17 133.29 31.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 0.734 . . . . 0.0 109.937 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 t -171.63 159.81 5.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 110.0 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.03 -94.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -73.54 149.38 88.53 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.466 0.745 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 163.57 34.96 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 110.97 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 162.37 37.3 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.496 1.787 . . . . 0.0 110.958 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -160.96 107.66 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -101.61 155.16 18.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -86.61 138.67 31.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.366 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.513 ' CD1' ' O ' ' A' ' 24' ' ' ILE . 3.9 mt -89.0 144.36 26.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -55.99 167.75 0.81 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -17.19 19.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -97.35 -26.77 14.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.413 HD13 ' CD2' ' A' ' 21' ' ' LEU . 6.4 tp -92.2 -45.2 8.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.95 -33.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.28 -41.45 9.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.47 ' CD2' HD23 ' A' ' 60' ' ' LEU . 11.9 tp -45.31 -57.51 3.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 mt -87.16 -34.56 19.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.55 -4.57 54.16 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.543 1.152 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.513 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 33.6 mt -95.16 127.0 47.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.764 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -90.5 -57.55 2.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.638 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.423 ' O ' ' OE1' ' A' ' 27' ' ' GLN . 45.3 m -130.74 126.54 36.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.403 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.513 ' CG ' ' CG1' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -160.07 171.67 18.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.51 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 72.9 p -67.9 -174.31 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.662 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 6.9 ttp-105 -83.71 -42.1 0.79 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.95 -4.77 15.9 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.492 1.785 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.513 ' CG1' ' CG ' ' A' ' 27' ' ' GLN . 11.8 t -100.61 -32.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.1 mt -82.13 -53.96 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.58 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 0.7 OUTLIER -44.23 -46.83 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' LEU . 61.2 mm-40 -65.59 -61.6 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.12 -30.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.24 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.593 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 7.4 tp -80.48 -52.39 7.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.58 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 92.5 m95 -52.2 -45.35 65.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 108.005 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -59.17 -14.62 11.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.689 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.2 t80 -86.11 -48.3 8.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.1 mt -67.77 -23.74 29.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.97 -49.77 10.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -72.13 -46.87 54.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.394 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.689 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 5.7 m170 -78.6 -0.26 29.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.612 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt 41.04 59.73 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.458 ' CD1' HD13 ' A' ' 60' ' ' LEU . 78.5 mt -84.58 0.52 49.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -51.95 128.48 24.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' O ' ' A' ' 50' ' ' GLU . 35.1 t70 -61.22 131.16 92.07 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -12.15 21.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.544 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -87.69 -56.12 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.607 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 47' ' ' ASP . 5.1 mm-40 -112.67 171.68 7.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.417 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 6.7 mmt180 -107.39 -11.88 15.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.608 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 6.7 pm0 -98.57 -22.38 16.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.608 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 64.2 m-85 -90.75 168.47 11.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.598 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -147.63 123.58 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.478 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 4.9 mt -81.83 106.42 13.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 21.3 m -61.3 133.35 55.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 108.28 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 4.1 p-10 -73.69 166.54 23.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.22 -32.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.416 ' N ' ' C ' ' A' ' 57' ' ' ASP . 10.1 m-30 -70.83 -66.76 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.47 HD23 ' CD2' ' A' ' 21' ' ' LEU . 96.9 mt -57.23 -30.23 64.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -64.72 -18.63 65.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.36 -15.04 18.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.7 mt -101.74 -59.3 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.557 ' CZ ' HD12 ' A' ' 81' ' ' LEU . 34.5 m-85 -76.4 -36.43 58.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 66.81 30.7 7.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.61 96.08 4.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.952 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 68' ' ' ARG . 11.5 pt20 -46.39 -45.29 17.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 16.6 ttt180 -145.2 122.32 11.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 110.25 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.483 ' SD ' ' CD1' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.91 167.99 20.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.6 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -85.37 140.78 30.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.598 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 2.3 m-85 -52.14 -31.88 33.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -12.88 61.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.097 . . . . 0.0 109.992 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -95.43 4.79 52.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.61 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 1.6 mm -76.07 -46.37 3.75 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.99 -11.43 21.49 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.469 1.773 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -92.12 -15.32 27.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.479 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -104.82 -14.92 15.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 82' ' ' LEU . 9.1 mt -67.66 -37.37 82.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -44.15 -32.18 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.594 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.55 -48.32 22.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.557 HD12 ' CZ ' ' A' ' 64' ' ' PHE . 9.4 mt -68.36 -13.48 62.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 78' ' ' LEU . 81.8 mt -101.56 119.94 39.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 62.1 mtm -120.48 160.88 42.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 113.56 3.82 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 177.52 8.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -100.92 147.93 34.37 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -30.57 7.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.532 1.806 . . . . 0.0 111.004 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.08 -49.1 43.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.026 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.7 -151.46 18.26 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 167.99 25.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.552 1.817 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.63 -70.83 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.049 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 m 62.39 100.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.032 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.941 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 p -166.26 132.48 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 p -164.32 -58.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.24 112.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.45 124.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -177.48 170.8 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.24 134.14 13.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 40.48 66.42 3.4 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 173.04 15.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.476 ' O ' ' CG2' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.99 170.93 19.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.487 1.783 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -161.76 115.52 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -100.16 157.65 16.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -91.19 129.52 37.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 mt -80.21 148.37 30.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -59.25 166.7 2.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -15.65 20.8 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.564 1.823 . . . . 0.0 111.028 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.26 -28.14 14.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' C ' ' N ' ' A' ' 20' ' ' ARG . 6.5 tp -92.06 -46.71 7.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.12 -30.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.45 ' N ' ' C ' ' A' ' 18' ' ' LEU . 1.3 mtt180 -94.53 -45.18 7.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.3 tp -40.54 -60.75 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.4 mt -85.39 -37.4 19.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.91 13.86 44.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.0 mt -94.19 99.74 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -50.81 -62.94 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.599 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -157.12 119.8 3.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.375 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.481 ' CG ' ' CG1' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -138.59 -168.36 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.565 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 34.4 p -83.47 -166.96 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.565 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 11.4 ttp180 -83.54 -47.85 0.76 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.02 -5.39 16.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.565 ' CG2' ' OG1' ' A' ' 28' ' ' THR . 48.1 t -99.79 -24.66 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.446 ' CD1' ' O ' ' A' ' 28' ' ' THR . 68.2 mt -94.78 -54.03 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.604 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.0 OUTLIER -42.45 -41.94 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.439 ' N ' HG22 ' A' ' 33' ' ' ILE . 45.1 mm-40 -66.04 -60.15 3.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.04 -29.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.596 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 5.7 tp -81.39 -52.28 7.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 90.0 m95 -52.49 -45.49 66.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -61.87 -12.72 19.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.594 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 4.7 t80 -87.98 -49.9 6.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.6 mt -68.11 -20.62 25.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.85 -47.85 10.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -74.31 -44.6 51.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.594 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 5.8 m-70 -80.43 2.9 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.618 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' HIS . 10.7 mmtt 39.27 60.09 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.486 ' CD1' HD11 ' A' ' 60' ' ' LEU . 90.7 mt -87.36 0.05 56.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.435 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.8 tt0 -52.04 128.37 24.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' O ' ' A' ' 50' ' ' GLU . 27.9 t70 -58.41 129.42 83.8 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -11.98 21.44 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.523 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -85.33 -54.35 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.618 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.2 mm-40 -113.89 -175.4 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.435 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 7.2 mmt180 -116.38 -15.29 10.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.627 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 4.5 pm0 -98.39 -21.32 16.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.627 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 52.9 m-85 -88.43 165.49 14.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.597 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -146.5 124.99 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.483 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 3.6 mt -84.4 108.08 17.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 56.2 m -61.05 131.79 51.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 108.304 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.19 -178.84 2.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.52 -56.95 6.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.508 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 4.4 m-30 -53.4 -62.6 1.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.486 HD11 ' CD1' ' A' ' 45' ' ' LEU . 85.0 mt -50.69 -42.86 57.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -58.14 -16.9 15.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.19 -14.73 19.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.429 HG22 ' CD2' ' A' ' 81' ' ' LEU . 8.8 mt -102.95 -59.15 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.558 ' CZ ' HD11 ' A' ' 81' ' ' LEU . 58.9 m-85 -83.15 -38.17 22.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 65.35 28.39 11.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 77.4 p -111.85 89.72 3.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -41.66 -44.78 3.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.483 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 28.8 ttt180 -149.37 121.25 8.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.51 169.05 18.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.618 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -87.91 143.43 27.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.597 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.5 m-85 -53.69 -28.87 36.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.9 t -74.8 -11.71 60.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -95.76 3.82 53.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.612 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 1.5 mm -75.95 -45.82 3.88 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.97 -11.12 21.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.769 . . . . 0.0 111.027 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -92.95 -13.66 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.31 -16.39 14.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 82' ' ' LEU . 8.1 mt -67.58 -39.35 84.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -42.42 -35.29 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.604 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.44 -51.4 29.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.558 HD11 ' CZ ' ' A' ' 64' ' ' PHE . 23.1 mt -65.43 -18.73 65.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 78' ' ' LEU . 86.9 mt -95.74 114.42 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 75.9 mtm -114.6 161.28 29.58 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 113.76 3.86 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.85 3.78 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -144.09 157.74 56.66 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.91 92.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 168.01 163.79 22.56 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 158.59 42.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 57.2 p -104.81 -57.11 2.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.24 126.17 30.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.432 1.082 . . . . 0.0 110.969 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.425 ' HG3' HG22 ' A' ' 28' ' ' THR . 2.7 mt-30 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.487 ' CE1' ' HB2' ' A' ' 29' ' ' ARG . 23.4 m-85 -120.7 144.61 48.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.418 ' NZ ' ' HA ' ' A' ' 85' ' ' PRO . 3.8 ttpm? -80.05 130.36 35.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.03 HD21 HD13 ' A' ' 32' ' ' ILE . 6.4 mt -84.64 145.83 27.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -55.02 167.66 0.62 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -16.9 20.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.572 1.827 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.95 -27.5 14.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.61 HD22 HD13 ' A' ' 81' ' ' LEU . 7.3 tp -91.65 -46.59 7.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.83 -30.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.429 ' N ' ' C ' ' A' ' 18' ' ' LEU . 27.6 mtt85 -95.57 -44.61 7.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.49 HD22 ' CD1' ' A' ' 63' ' ' ILE . 13.9 tp -41.25 -59.26 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 mt -87.43 -35.23 18.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.79 12.67 52.59 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.472 ' O ' HD12 ' A' ' 14' ' ' LEU . 19.5 mt -91.59 99.22 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -50.37 -62.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.582 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 m -157.36 114.67 3.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.42 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.531 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -135.26 -173.0 3.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.575 ' OG1' HG23 ' A' ' 31' ' ' VAL . 24.6 p -79.33 -177.48 5.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.418 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.609 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 2.8 ttt180 -78.42 -44.89 2.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.91 -6.2 17.79 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.575 HG23 ' OG1' ' A' ' 28' ' ' THR . 43.8 t -99.55 -31.54 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.03 HD13 HD21 ' A' ' 14' ' ' LEU . 63.4 mt -84.6 -53.35 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.446 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.7 tt -41.43 -43.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.356 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 37' ' ' TRP . 16.3 mm-40 -65.3 -62.51 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.47 -29.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 5.9 tp -80.75 -51.08 9.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.446 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 69.0 m95 -52.55 -43.98 65.53 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -60.93 -13.63 17.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.513 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 5.3 t80 -86.11 -47.3 9.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.502 HG21 ' HE1' ' A' ' 71' ' ' PHE . 47.8 mt -68.05 -23.63 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.91 -49.61 9.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.9 m -71.17 -43.88 66.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.419 1.074 . . . . 0.0 110.392 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.483 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 2.0 m80 -83.31 0.73 44.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.599 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 43' ' ' HIS . 8.7 mttt 39.66 58.09 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.759 HD13 HD12 ' A' ' 60' ' ' LEU . 89.7 mt -82.6 1.57 37.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.468 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.2 tt0 -52.01 127.83 22.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' A' ' 50' ' ' GLU . 31.1 t70 -57.92 129.88 82.35 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -11.34 21.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.786 . . . . 0.0 111.043 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.01 -55.08 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.631 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' A' ' 47' ' ' ASP . 5.2 mm-40 -111.02 175.23 5.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.468 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 31.2 mtt180 -112.19 -5.05 14.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.606 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 4.1 pm0 -107.48 -20.91 13.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.606 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 62.0 m-85 -90.63 167.69 12.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.654 ' CG1' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -146.55 121.46 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.475 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 3.7 mt -80.97 113.38 19.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 18.3 m -63.9 133.38 53.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 108.358 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.96 179.77 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -48.27 -51.44 25.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.524 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 3.8 m-30 -59.64 -60.14 4.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.759 HD12 HD13 ' A' ' 45' ' ' LEU . 54.0 mt -51.84 -42.79 62.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -58.03 -17.74 19.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -99.2 -14.41 19.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.49 ' CD1' HD22 ' A' ' 21' ' ' LEU . 10.8 mt -102.54 -57.81 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.592 ' CE2' HD22 ' A' ' 60' ' ' LEU . 46.7 m-85 -79.61 -39.59 31.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 111.042 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 68.63 31.12 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.65 95.59 4.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -43.45 -46.97 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.475 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 14.9 ttt180 -142.69 124.57 15.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -139.2 166.34 24.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.584 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -86.48 144.18 27.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 3.8 m-85 -53.52 -28.75 32.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.403 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 9.2 t -79.4 -11.12 59.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.016 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -96.18 1.39 52.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.24 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.654 HD11 ' CG1' ' A' ' 54' ' ' VAL . 2.3 mm -74.8 -45.29 5.21 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.99 -11.7 21.5 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -87.81 -16.69 33.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.2 -16.82 14.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.574 HD23 HD12 ' A' ' 81' ' ' LEU . 9.3 mt -65.51 -43.47 89.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -41.56 -36.21 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.57 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.05 -50.84 37.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.61 HD13 HD22 ' A' ' 18' ' ' LEU . 23.4 mt -64.33 -26.39 68.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 78' ' ' LEU . 80.4 mt -88.12 121.36 30.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 55.1 mtm -123.05 158.51 57.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 113.65 3.84 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.46 1.768 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 13' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.479 1.779 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.437 ' HB2' HD22 ' A' ' 82' ' ' LEU . 37.1 m-85 -109.05 149.63 28.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -81.83 137.13 35.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.973 HD21 HD13 ' A' ' 32' ' ' ILE . 4.6 mt -88.3 145.37 25.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.49 166.95 1.46 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -16.32 20.27 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -97.29 -27.26 14.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.639 HD22 HD13 ' A' ' 81' ' ' LEU . 7.3 tp -92.34 -46.63 7.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.28 -29.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.442 ' N ' ' C ' ' A' ' 18' ' ' LEU . 16.9 mtt-85 -94.98 -48.22 6.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.2 tp -40.32 -60.51 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.9 mt -82.76 -38.36 23.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.39 6.51 56.56 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.615 ' O ' HD12 ' A' ' 14' ' ' LEU . 9.2 mt -88.68 109.49 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.767 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -63.19 -61.35 2.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.565 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 m -154.6 115.22 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.427 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.727 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -136.85 -166.97 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.576 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 34.3 p -84.77 -167.08 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.424 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.568 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 12.0 ttp85 -82.88 -47.73 0.83 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.02 -4.77 15.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.534 1.807 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.727 HG11 ' CG ' ' A' ' 27' ' ' GLN . 51.0 t -100.5 -27.45 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.973 HD13 HD21 ' A' ' 14' ' ' LEU . 86.0 mt -91.0 -44.23 14.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' A' ' 75' ' ' PRO . 2.4 tt -54.88 -41.82 59.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.415 ' C ' ' N ' ' A' ' 36' ' ' LEU . 91.0 mm-40 -64.48 -57.91 7.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.79 -26.27 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.738 HD21 ' CG2' ' A' ' 74' ' ' ILE . 6.1 tp -84.26 -49.55 8.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.432 ' HZ3' ' CD1' ' A' ' 71' ' ' PHE . 72.3 m95 -54.4 -44.29 72.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 108.021 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -62.17 -12.79 21.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 5.4 t80 -86.96 -47.63 8.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.536 HG21 ' HE1' ' A' ' 71' ' ' PHE . 37.6 mt -69.01 -21.94 25.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -84.1 -47.98 10.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.3 m -73.25 -41.91 63.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.441 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 44' ' ' LYS . 1.9 m80 -85.05 1.52 47.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.583 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 43' ' ' HIS . 11.7 mmtt 38.85 60.06 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.699 HD13 HD12 ' A' ' 60' ' ' LEU . 82.9 mt -84.64 1.5 45.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.47 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -51.88 129.01 25.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' A' ' 50' ' ' GLU . 30.2 t70 -59.28 129.6 86.65 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -12.62 21.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.545 1.813 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.98 -53.88 4.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.59 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 47' ' ' ASP . 6.0 mm-40 -110.35 -175.58 2.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.1 -13.82 9.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.596 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 7.0 pm0 -100.95 -21.44 15.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.587 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 45.5 m-85 -86.35 166.46 15.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.642 HG11 HD11 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -146.26 119.2 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.525 HD21 ' HG3' ' A' ' 68' ' ' ARG . 11.7 mt -79.55 105.54 10.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 36.0 m -56.61 137.55 53.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 108.235 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.08 179.4 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -56.52 -33.84 66.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.421 ' N ' ' HG2' ' A' ' 58' ' ' LYS . 14.0 m-85 -73.25 -52.67 13.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.699 HD12 HD13 ' A' ' 45' ' ' LEU . 91.8 mt -62.22 -39.63 93.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -56.63 -19.62 17.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -99.3 -13.53 19.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.483 HG23 ' CD2' ' A' ' 81' ' ' LEU . 12.9 mt -101.65 -59.9 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.548 ' CE1' HD22 ' A' ' 60' ' ' LEU . 33.6 m-85 -76.03 -37.73 58.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 69.48 30.16 4.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.453 ' OG ' ' NH1' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -126.77 93.55 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -41.45 -48.91 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.525 ' HG3' HD21 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -141.64 122.95 14.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.54 ' HE2' HD13 ' A' ' 74' ' ' ILE . 1.2 ptm -138.1 162.7 33.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.585 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -82.56 144.58 30.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 3.7 m-85 -53.45 -25.99 18.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.0 -12.1 60.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -96.44 2.97 53.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.738 ' CG2' HD21 ' A' ' 36' ' ' LEU . 2.9 mm -76.19 -45.33 3.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.98 -12.21 21.55 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -93.31 -15.4 25.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.509 ' HB3' ' CD2' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -103.38 -12.72 17.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.497 ' HA ' HD23 ' A' ' 78' ' ' LEU . 9.0 mt -70.46 -37.14 74.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -45.34 -33.12 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.674 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.47 -47.3 49.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.639 HD13 HD22 ' A' ' 18' ' ' LEU . 12.2 mt -71.86 -13.46 61.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.437 HD22 ' HB2' ' A' ' 12' ' ' PHE . 86.0 mt -99.84 117.12 33.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 59.6 mtm -118.11 158.7 45.57 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 115.73 4.38 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.447 1.761 . . . . 0.0 111.018 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.436 1.756 . . . . 0.0 111.001 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -104.74 150.82 24.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -82.46 130.75 35.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.977 HD21 HD13 ' A' ' 32' ' ' ILE . 5.4 mt -82.1 146.0 29.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.509 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.52 166.84 1.52 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.0 20.43 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -97.32 -27.53 14.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 21' ' ' LEU . 7.2 tp -92.14 -47.2 7.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -42.43 -30.1 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -95.36 -33.92 12.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.082 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' LEU . 12.7 tp -53.37 -61.08 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.7 mt -84.69 -29.62 25.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.66 9.23 63.04 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 111.029 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.515 ' O ' HD12 ' A' ' 14' ' ' LEU . 5.8 mt -88.71 107.05 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -58.76 -62.73 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.581 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 m -156.55 110.97 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.668 ' CG ' HG11 ' A' ' 31' ' ' VAL . 1.2 mp0 -129.63 -167.59 1.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.562 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 33.5 p -84.18 -167.14 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.569 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.5 ttp-105 -82.73 -47.65 0.86 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.98 -4.68 15.77 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.668 HG11 ' CG ' ' A' ' 27' ' ' GLN . 46.7 t -100.34 -29.37 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.977 HD13 HD21 ' A' ' 14' ' ' LEU . 83.5 mt -88.56 -45.21 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.48 HD11 ' HB3' ' A' ' 75' ' ' PRO . 1.8 tt -53.94 -42.65 54.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.427 ' C ' ' N ' ' A' ' 36' ' ' LEU . 42.9 mm-40 -64.72 -61.53 2.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.356 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -41.82 -28.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.527 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.9 tp -81.48 -50.38 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 75.3 m95 -52.93 -46.19 68.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 107.997 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -59.57 -14.91 15.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.57 ' CE1' ' CD2' ' A' ' 43' ' ' HIS . 4.8 t80 -85.54 -47.54 9.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.641 HG23 ' HB2' ' A' ' 45' ' ' LEU . 56.5 mt -66.18 -23.55 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -84.4 -51.39 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.5 m -68.82 -42.43 77.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.57 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 2.1 m80 -85.14 2.3 44.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.588 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt 42.57 58.41 3.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.834 HD13 HD12 ' A' ' 60' ' ' LEU . 75.3 mt -80.84 -5.05 56.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.466 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -51.78 124.02 11.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.302 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 50' ' ' GLU . 32.9 t70 -56.26 130.68 75.18 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -12.74 21.48 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.761 . . . . 0.0 110.978 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.98 -54.49 4.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.585 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.0 mm-40 -109.26 -176.74 3.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.466 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 4.3 mmt-85 -118.97 -10.61 9.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.614 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 3.9 pm0 -103.59 -20.73 13.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.614 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 53.6 m-85 -88.65 168.23 12.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.681 HG11 HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -147.29 120.1 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.453 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 5.2 mt -81.8 105.54 13.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.0 m -57.45 132.82 54.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 108.316 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -68.11 178.67 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -49.23 -48.47 45.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.494 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 4.8 m-30 -60.05 -60.46 3.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.834 HD12 HD13 ' A' ' 45' ' ' LEU . 93.8 mt -53.24 -42.18 66.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -56.48 -18.56 11.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -99.3 -14.75 19.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.457 HG23 HD22 ' A' ' 81' ' ' LEU . 13.5 mt -101.68 -59.83 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.56 ' CE2' HD22 ' A' ' 60' ' ' LEU . 36.9 m-85 -75.39 -37.4 60.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 68.9 28.88 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.56 98.49 5.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -47.26 -44.65 23.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.453 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 29.3 ttp180 -142.32 123.86 14.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.261 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.567 ' CE ' HD13 ' A' ' 74' ' ' ILE . 2.3 ptm -138.99 165.38 27.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.576 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -86.25 143.84 27.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.611 ' HE1' HG21 ' A' ' 40' ' ' ILE . 3.9 m-85 -54.25 -29.01 45.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.7 t -77.39 -11.88 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -96.28 2.76 53.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.681 HD11 HG11 ' A' ' 54' ' ' VAL . 2.4 mm -75.66 -45.48 4.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.02 -11.57 21.45 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.461 1.769 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -93.16 -16.0 25.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.01 -18.13 15.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.548 HD23 HD12 ' A' ' 81' ' ' LEU . 8.2 mt -65.77 -39.81 91.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -43.17 -33.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.607 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.77 -47.59 37.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.548 HD12 HD23 ' A' ' 78' ' ' LEU . 14.4 mt -68.71 -16.9 63.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' LEU . 61.1 mt -96.1 124.15 39.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.441 ' CE ' ' HA ' ' A' ' 15' ' ' ASP . 40.7 mtm -120.59 158.55 51.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 113.41 3.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.466 1.772 . . . . 0.0 111.015 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 27' ' ' GLN . 11.1 mt-30 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -102.08 151.13 22.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.406 ' O ' ' SD ' ' A' ' 83' ' ' MET . 2.7 ttpp -86.22 125.32 33.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.745 HD21 HD13 ' A' ' 32' ' ' ILE . 5.0 mt -76.3 145.2 39.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.508 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -54.99 167.24 0.66 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.93 19.87 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.535 1.808 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -97.51 -27.06 14.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.527 HD22 HD13 ' A' ' 81' ' ' LEU . 6.7 tp -91.77 -45.65 8.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -39.37 -32.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.423 ' N ' ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -93.43 -47.87 6.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.5 tp -40.1 -60.51 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.8 mt -84.27 -38.65 20.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.66 7.88 58.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.555 1.159 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.633 ' O ' HD12 ' A' ' 14' ' ' LEU . 12.8 mt -89.6 96.52 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -50.82 -62.0 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.578 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 84.9 m -152.28 124.48 8.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.704 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -146.99 -171.19 3.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.563 ' OG1' HG23 ' A' ' 31' ' ' VAL . 32.0 p -81.14 -176.72 6.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.419 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.612 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.5 ttt180 -78.75 -44.48 1.9 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.99 -6.54 18.19 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.704 HG11 ' CG ' ' A' ' 27' ' ' GLN . 37.6 t -97.84 -36.85 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.745 HD13 HD21 ' A' ' 14' ' ' LEU . 53.1 mt -78.15 -50.31 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.593 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.4 tt -48.14 -40.24 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.424 ' C ' ' N ' ' A' ' 36' ' ' LEU . 3.3 mm100 -67.11 -61.03 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.02 -27.83 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.517 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.8 tp -82.67 -49.13 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.593 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 76.5 m95 -53.55 -44.3 69.14 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -12.67 24.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.507 ' CE1' ' CD2' ' A' ' 43' ' ' HIS . 5.2 t80 -86.52 -47.82 8.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.04 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.487 HG21 ' HE1' ' A' ' 71' ' ' PHE . 22.7 mt -68.26 -22.15 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.26 -48.6 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -72.17 -42.3 66.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.507 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 1.4 m80 -84.59 3.41 36.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 38.86 59.11 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.693 HD13 HD12 ' A' ' 60' ' ' LEU . 83.7 mt -84.71 -0.97 55.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.461 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.3 tt0 -51.57 126.95 18.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 50' ' ' GLU . 27.3 t70 -58.56 128.47 83.33 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -11.47 21.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.5 -52.92 5.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 109.59 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.463 ' O ' ' O ' ' A' ' 47' ' ' ASP . 5.7 mm-40 -112.7 -176.0 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.461 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.34 -12.77 9.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.608 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 4.8 pm0 -101.26 -21.73 14.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.608 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 57.7 m-85 -88.01 167.21 13.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.615 HG11 HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -147.28 121.98 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.475 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 2.1 mt -81.94 110.05 16.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.3 m -59.6 141.13 55.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 108.294 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.77 176.53 6.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.552 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -51.89 -37.61 52.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.552 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 10.6 m-85 -71.53 -54.9 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.693 HD12 HD13 ' A' ' 45' ' ' LEU . 88.8 mt -58.69 -41.22 85.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -56.83 -18.27 12.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -99.54 -13.71 19.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 110.226 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.4 mt -101.94 -57.61 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.585 ' CE2' HD22 ' A' ' 60' ' ' LEU . 42.5 m-85 -79.03 -39.05 35.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 70.22 30.25 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.4 95.75 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -46.61 -44.26 18.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.475 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 14.9 ttt180 -144.9 123.16 12.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -139.67 166.42 24.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.6 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -86.63 142.93 27.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.545 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.4 m-85 -52.27 -31.91 34.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.403 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -74.34 -11.69 60.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -95.98 2.13 53.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.3 mm -75.53 -45.35 4.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.07 -11.2 21.35 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -93.0 -15.48 26.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.49 -15.97 14.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 78' ' ' LEU . 7.7 mt -67.65 -37.44 82.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -46.44 -29.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.581 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.44 -46.73 30.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.527 HD13 HD22 ' A' ' 18' ' ' LEU . 16.1 mt -70.76 -20.45 62.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.416 HD21 HG21 ' A' ' 32' ' ' ILE . 77.5 mt -94.23 113.76 25.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -112.65 157.48 40.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 111.011 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.5 3.81 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.542 1.812 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -103.92 152.54 21.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -83.01 127.24 33.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.0 HD21 HD13 ' A' ' 32' ' ' ILE . 4.9 mt -80.39 145.65 31.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.24 166.88 1.36 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -15.05 20.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.2 mtm-85 -97.52 -28.22 14.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.442 ' C ' ' N ' ' A' ' 20' ' ' ARG . 6.4 tp -91.92 -47.92 7.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.38 -29.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.442 ' N ' ' C ' ' A' ' 18' ' ' LEU . 1.2 ptt180 -95.82 -41.62 8.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 14.6 tp -45.57 -59.66 2.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.5 mt -87.4 -34.02 18.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.59 12.88 55.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.549 ' O ' HD12 ' A' ' 14' ' ' LEU . 11.3 mt -90.42 102.39 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -58.07 -59.27 5.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.589 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 54.4 m -156.01 114.85 3.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.461 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 0.7 OUTLIER -138.14 -176.06 4.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.6 ' OG1' HG23 ' A' ' 31' ' ' VAL . 16.3 p -74.74 179.39 4.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.627 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 23.2 ttp180 -78.07 -43.97 2.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.99 -6.01 17.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.6 HG23 ' OG1' ' A' ' 28' ' ' THR . 41.3 t -99.17 -37.04 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.0 HD13 HD21 ' A' ' 14' ' ' LEU . 58.2 mt -76.78 -49.18 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.571 HG13 HD12 ' A' ' 78' ' ' LEU . 1.4 tt -48.37 -39.92 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.411 ' C ' ' N ' ' A' ' 36' ' ' LEU . 1.6 mm100 -65.67 -58.9 4.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.02 -27.95 0.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.589 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 5.9 tp -82.97 -49.59 9.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.566 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 88.7 m95 -53.82 -48.13 70.19 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -59.01 -15.79 14.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.271 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.487 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 5.1 t80 -84.04 -48.09 10.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.615 HG21 ' HE1' ' A' ' 71' ' ' PHE . 24.0 mt -67.25 -27.91 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -53.17 7.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.5 m -66.24 -44.92 82.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.378 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' LYS . 1.5 m80 -84.07 1.85 42.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.555 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 43' ' ' HIS . 49.9 mttt 39.65 58.97 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.718 HD13 HD12 ' A' ' 60' ' ' LEU . 86.9 mt -82.0 0.34 40.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.466 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.1 tt0 -52.23 125.61 16.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.438 ' O ' ' O ' ' A' ' 50' ' ' GLU . 31.0 t70 -54.67 130.54 64.46 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -12.17 21.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.35 -53.08 5.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.628 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 47' ' ' ASP . 3.9 mm-40 -111.45 -173.07 2.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.466 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 10.0 mmt180 -120.23 -12.35 9.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.598 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 3.4 pm0 -102.16 -21.05 14.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.598 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 52.1 m-85 -86.97 164.4 16.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.753 HG11 HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -143.04 118.71 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.522 HD21 ' HG3' ' A' ' 68' ' ' ARG . 12.7 mt -79.12 98.5 6.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 12.4 m -54.84 135.33 47.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 108.241 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.545 ' OD2' ' CG ' ' A' ' 59' ' ' TYR . 5.0 p-10 -73.07 -178.92 3.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -50.31 -48.94 54.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.545 ' CG ' ' OD2' ' A' ' 57' ' ' ASP . 7.3 m-30 -58.11 -62.12 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.718 HD12 HD13 ' A' ' 45' ' ' LEU . 93.2 mt -54.07 -42.0 68.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -56.76 -19.75 18.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -98.83 -14.53 19.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.4 mt -102.0 -62.49 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.556 ' CE2' HD22 ' A' ' 60' ' ' LEU . 34.5 m-85 -73.03 -35.16 66.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 66.29 30.07 9.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.67 96.2 4.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -44.95 -46.17 10.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.247 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.522 ' HG3' HD21 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -146.3 121.95 10.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.275 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.498 ' CE ' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.73 167.61 21.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -85.98 143.8 27.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.615 ' HE1' HG21 ' A' ' 40' ' ' ILE . 4.7 m-85 -53.04 -25.39 12.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.9 t -78.02 -12.05 59.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -96.08 3.04 53.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.753 HD11 HG11 ' A' ' 54' ' ' VAL . 1.9 mm -74.83 -45.42 5.14 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.95 -12.05 21.6 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -93.3 -14.89 26.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.452 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -105.1 -13.17 15.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.571 HD12 HG13 ' A' ' 33' ' ' ILE . 8.5 mt -70.5 -41.03 73.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -40.54 -36.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.63 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.05 -49.11 48.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.495 HD12 HD23 ' A' ' 78' ' ' LEU . 8.3 mt -66.81 -19.87 65.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' LEU . 42.3 mt -98.05 118.19 34.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 61.9 mtm -116.57 158.77 42.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 113.41 3.79 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.78 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.502 1.791 . . . . 0.0 111.005 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 27' ' ' GLN . 3.7 mt-30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -104.25 147.63 27.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -80.06 144.97 32.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.558 HD12 ' O ' ' A' ' 24' ' ' ILE . 3.2 mt -96.48 138.94 33.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -53.83 164.96 0.82 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -14.37 21.09 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.528 1.804 . . . . 0.0 110.971 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mtm-85 -97.62 -28.29 14.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.854 HD22 HD13 ' A' ' 81' ' ' LEU . 9.2 tp -92.27 -45.88 8.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -47.97 -29.54 3.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -91.36 -26.01 19.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 18' ' ' LEU . 12.4 tp -66.73 -58.77 4.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.3 mt -82.08 -40.06 22.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.88 12.26 28.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.525 1.14 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.558 ' O ' HD12 ' A' ' 14' ' ' LEU . 18.8 mt -106.86 128.53 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.47 ' H ' ' CD2' ' A' ' 25' ' ' HIS . 5.4 p80 -86.53 -65.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.608 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.421 ' O ' ' CD ' ' A' ' 27' ' ' GLN . 3.2 m -133.4 117.2 16.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.379 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.726 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -144.94 -174.71 4.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.709 ' O ' HD12 ' A' ' 32' ' ' ILE . 46.4 p -80.93 -175.37 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.373 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.607 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.3 tpp85 -78.28 -45.58 2.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.97 -5.85 17.33 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.726 HG11 ' CG ' ' A' ' 27' ' ' GLN . 40.6 t -99.24 -24.62 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.709 HD12 ' O ' ' A' ' 28' ' ' THR . 26.0 mt -94.4 -52.89 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.6 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.2 tt -45.82 -42.75 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 37' ' ' TRP . 34.2 mm-40 -68.61 -61.12 1.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -41.64 -28.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 5.6 tp -82.97 -48.92 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.6 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 71.8 m95 -52.79 -51.9 58.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.02 -19.74 2.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.281 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.608 ' CE1' ' CD2' ' A' ' 43' ' ' HIS . 4.8 t80 -80.25 -47.37 14.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.522 HG23 ' HB2' ' A' ' 45' ' ' LEU . 72.6 mt -62.92 -28.03 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.41 ' O ' ' CE ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -81.95 -55.5 4.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.6 m -62.63 -39.89 95.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.608 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 1.7 m80 -90.24 4.77 49.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.632 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.41 ' CE ' ' O ' ' A' ' 41' ' ' LYS . 3.0 mmpt? 39.59 59.39 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.712 HD13 HD12 ' A' ' 60' ' ' LEU . 93.0 mt -81.29 -4.84 56.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.9 OUTLIER -51.69 123.76 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' A' ' 50' ' ' GLU . 33.3 t70 -57.92 130.5 82.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -11.68 21.6 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.459 1.768 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.12 -55.38 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.575 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' A' ' 47' ' ' ASP . 7.6 mm-40 -111.31 173.99 6.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 25.5 mtt180 -112.14 -2.83 14.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.621 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 1.7 pm0 -108.15 -21.73 12.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.621 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 72.7 m-85 -92.47 167.81 11.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.724 ' CG1' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -145.51 122.12 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.478 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 3.4 mt -80.31 107.39 13.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 12.6 m -55.76 141.21 39.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.312 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.98 177.49 7.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.411 ' HE3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -54.24 -31.85 54.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.411 ' CE1' ' HE3' ' A' ' 58' ' ' LYS . 12.1 m-85 -76.01 -52.84 9.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.712 HD12 HD13 ' A' ' 45' ' ' LEU . 93.7 mt -62.6 -39.22 93.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -56.84 -19.44 17.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -99.29 -13.77 19.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.552 HG23 HD21 ' A' ' 81' ' ' LEU . 12.5 mt -101.98 -59.37 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.63 ' CE2' HD22 ' A' ' 60' ' ' LEU . 45.0 m-85 -77.15 -37.92 52.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 68.23 30.6 5.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.83 97.09 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -45.83 -45.75 15.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 10.2 ttt180 -142.77 124.37 14.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.2 ptm -139.31 166.31 24.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.584 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -84.43 141.67 30.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.544 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 3.4 m-85 -51.55 -35.95 43.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -11.37 60.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.049 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -96.15 3.35 53.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.724 HD11 ' CG1' ' A' ' 54' ' ' VAL . 2.4 mm -76.62 -45.35 3.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.98 -11.65 21.52 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.789 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -88.17 -14.75 37.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.418 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -106.62 -15.85 14.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.35 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.531 HD23 HD12 ' A' ' 81' ' ' LEU . 8.8 mt -65.64 -39.72 91.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -42.59 -32.06 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.088 . . . . 0.0 109.575 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.88 -47.96 27.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.854 HD13 HD22 ' A' ' 18' ' ' LEU . 15.0 mt -72.59 -9.51 58.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.52 HD21 HG21 ' A' ' 32' ' ' ILE . 91.6 mt -104.36 112.05 24.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 55.1 mtm -115.78 158.68 41.47 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 117.91 5.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.526 1.803 . . . . 0.0 111.025 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -103.84 154.16 19.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -84.65 133.0 34.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.007 HD21 HD13 ' A' ' 32' ' ' ILE . 5.2 mt -86.9 144.78 26.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -54.86 167.47 0.62 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -16.69 20.09 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.491 1.785 . . . . 0.0 110.961 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -96.93 -27.14 14.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.28 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.543 HD22 HD13 ' A' ' 81' ' ' LEU . 7.0 tp -92.35 -47.31 7.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.6 -30.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.43 ' N ' ' C ' ' A' ' 18' ' ' LEU . 5.3 ptm180 -94.78 -41.54 9.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.2 tp -45.72 -59.97 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.0 mt -85.27 -31.88 22.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.08 8.02 63.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.438 ' O ' HD12 ' A' ' 14' ' ' LEU . 9.8 mt -88.05 102.41 12.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -54.85 -61.21 2.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.579 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 m -157.71 113.35 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.374 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.529 ' HG2' HG11 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -133.93 -175.56 3.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.584 ' OG1' HG23 ' A' ' 31' ' ' VAL . 17.8 p -75.11 -177.45 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.429 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.595 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 13.9 ttp85 -78.04 -45.9 2.26 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.98 -5.64 17.05 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.584 HG23 ' OG1' ' A' ' 28' ' ' THR . 39.7 t -98.57 -32.81 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.007 HD13 HD21 ' A' ' 14' ' ' LEU . 67.8 mt -83.38 -54.18 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.552 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.5 tt -40.77 -41.32 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 37' ' ' TRP . 2.6 mm-40 -67.91 -60.84 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.29 -29.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.507 HD21 ' CG2' ' A' ' 74' ' ' ILE . 6.0 tp -81.26 -50.53 9.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.552 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 78.8 m95 -53.51 -43.82 68.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 107.995 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -62.35 -12.64 22.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.487 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 5.7 t80 -86.95 -47.77 8.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.516 ' CD1' HG21 ' A' ' 54' ' ' VAL . 29.1 mt -69.01 -21.37 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -84.62 -47.47 10.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -74.04 -44.36 54.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.429 ' NE2' ' CZ ' ' A' ' 39' ' ' TYR . 2.2 m80 -80.98 1.05 32.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.59 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.67 58.82 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.755 HD13 HD12 ' A' ' 60' ' ' LEU . 90.0 mt -86.51 3.02 45.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.2 tt0 -51.42 127.17 19.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.472 ' OD1' ' CG ' ' A' ' 49' ' ' HIS . 61.6 t0 -59.92 125.43 80.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.436 ' HD2' ' OD1' ' A' ' 47' ' ' ASP . 18.4 Cg_endo -74.99 -7.03 18.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.038 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.472 ' CG ' ' OD1' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -91.57 -49.66 6.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.574 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.2 mm-40 -123.76 168.3 12.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.448 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -102.54 -10.73 19.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.608 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -99.17 -21.79 15.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.608 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 66.0 m-85 -93.24 166.98 12.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.61 ' CG1' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -147.88 123.86 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.443 HD21 ' HG3' ' A' ' 68' ' ' ARG . 5.6 mt -79.49 114.21 18.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 18.5 m -64.12 135.93 56.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 108.283 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.56 177.34 2.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.53 ' HE2' ' CZ ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -52.63 -35.05 53.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.097 . . . . 0.0 109.348 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.53 ' CZ ' ' HE2' ' A' ' 58' ' ' LYS . 30.7 m-85 -76.89 -49.94 14.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.755 HD12 HD13 ' A' ' 45' ' ' LEU . 94.5 mt -61.26 -35.91 78.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -64.1 -20.7 66.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -99.21 -13.02 19.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.455 HG23 HD22 ' A' ' 81' ' ' LEU . 20.8 mt -101.53 -57.93 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.557 ' CE2' HD22 ' A' ' 60' ' ' LEU . 38.2 m-85 -78.05 -37.9 45.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 70.28 30.74 3.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.05 96.68 4.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -44.36 -46.54 9.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.538 ' CZ ' ' CE2' ' A' ' 53' ' ' PHE . 7.2 ttp180 -143.26 123.28 13.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.485 ' CE ' HD13 ' A' ' 74' ' ' ILE . 1.8 ptm -138.09 160.69 38.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.581 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -77.94 141.27 39.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.589 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 2.5 m-85 -52.26 -29.8 24.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.403 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 9.3 t -76.68 -11.21 59.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -95.96 1.05 52.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.0 mm -74.26 -45.48 6.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -75.01 -11.61 21.46 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.444 1.76 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -92.69 -15.28 26.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.425 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -104.42 -15.6 15.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.32 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.532 HD23 HD12 ' A' ' 81' ' ' LEU . 8.5 mt -67.72 -40.97 84.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -41.6 -35.27 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.561 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.24 -50.84 28.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.543 HD13 HD22 ' A' ' 18' ' ' LEU . 19.5 mt -64.84 -21.41 66.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.6 mt -92.73 122.58 35.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 71.1 mtm -120.59 160.2 45.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 116.23 4.53 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.791 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 110.957 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -95.51 154.6 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -88.31 130.23 35.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.912 HD21 HD13 ' A' ' 32' ' ' ILE . 5.7 mt -79.5 147.23 32.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -58.29 167.7 1.56 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -17.46 19.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.453 1.765 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mtm-85 -97.12 -26.66 14.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.531 HD22 HD13 ' A' ' 81' ' ' LEU . 6.8 tp -92.14 -46.56 7.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.86 -31.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 18' ' ' LEU . 2.1 mtp-105 -94.36 -46.29 7.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.7 tp -40.64 -59.99 1.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.6 mt -83.74 -39.79 19.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.7 9.61 45.92 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.586 1.178 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.58 ' O ' HD12 ' A' ' 14' ' ' LEU . 4.5 mt -92.26 107.97 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 0.764 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -59.43 -64.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 m -152.07 115.61 4.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 110.402 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.701 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -137.4 -171.52 2.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.477 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 74.3 p -81.72 -168.76 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.435 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.625 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 8.5 ttp-105 -83.28 -43.99 0.84 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.03 -7.92 19.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.527 1.804 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.701 HG11 ' CG ' ' A' ' 27' ' ' GLN . 34.5 t -100.85 -27.01 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.912 HD13 HD21 ' A' ' 14' ' ' LEU . 89.9 mt -88.6 -42.83 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.473 ' HB ' ' O ' ' A' ' 29' ' ' ARG . 1.7 tt -56.31 -42.09 72.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' TRP . 30.0 mm-40 -64.13 -63.4 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.241 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.43 -29.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.542 HD21 ' CG2' ' A' ' 74' ' ' ILE . 6.0 tp -80.34 -51.09 9.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.471 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 78.6 m95 -53.09 -44.99 68.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 107.974 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -60.08 -14.23 15.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.493 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 5.2 t80 -86.45 -47.35 9.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 111.038 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.587 HG21 ' HE1' ' A' ' 71' ' ' PHE . 62.5 mt -69.38 -22.85 25.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.8 -47.72 11.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.0 m -73.59 -43.5 59.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.418 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.447 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 1.9 m80 -82.84 1.34 39.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.596 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' HIS . 1.5 mmpt? 39.51 59.94 1.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.74 HD13 HD12 ' A' ' 60' ' ' LEU . 83.9 mt -84.3 0.83 47.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.1 tt0 -52.11 126.73 19.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 50' ' ' GLU . 28.3 t70 -58.91 129.12 85.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -17.35 19.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.3 -54.99 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.644 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.8 mm-40 -108.3 -174.13 2.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 6.3 mmt180 -120.52 -6.67 9.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.584 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 7.0 pm0 -111.76 -10.52 14.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.584 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 38.0 m-85 -95.37 165.4 12.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.843 HG11 HD11 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -143.76 117.69 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.515 HD21 ' HG3' ' A' ' 68' ' ' ARG . 14.2 mt -77.82 102.15 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 32.7 m -52.64 137.51 30.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 108.315 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -179.13 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.559 ' HE3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -56.55 -32.63 65.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.559 ' CE1' ' HE3' ' A' ' 58' ' ' LYS . 12.7 m-30 -74.28 -55.32 6.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.74 HD12 HD13 ' A' ' 45' ' ' LEU . 88.8 mt -60.81 -38.16 84.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -57.07 -20.81 27.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.26 -13.96 19.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.43 HG23 HD22 ' A' ' 81' ' ' LEU . 12.2 mt -101.71 -64.38 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.551 ' CE1' HD22 ' A' ' 60' ' ' LEU . 30.3 m-85 -71.46 -35.66 70.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 66.86 30.17 7.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.02 95.07 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.042 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 68' ' ' ARG . 17.8 pt20 -43.84 -47.09 8.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.515 ' HG3' HD21 ' A' ' 55' ' ' LEU . 6.8 ttp180 -143.65 122.76 12.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.254 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.564 ' HE3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -137.96 168.15 20.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -87.67 143.91 26.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.587 ' HE1' HG21 ' A' ' 40' ' ' ILE . 4.2 m-85 -53.27 -24.57 11.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.8 m -80.38 -11.35 59.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.034 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -96.48 1.64 51.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.843 HD11 HG11 ' A' ' 54' ' ' VAL . 2.1 mm -74.8 -45.05 5.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.01 -12.86 21.5 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.487 1.783 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -93.43 -14.53 26.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.535 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -104.05 -12.88 16.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.533 HD23 HD12 ' A' ' 81' ' ' LEU . 8.8 mt -70.8 -41.93 70.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -40.83 -36.88 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.619 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.15 -49.23 52.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.533 HD12 HD23 ' A' ' 78' ' ' LEU . 14.7 mt -66.71 -17.42 64.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 78' ' ' LEU . 63.5 mt -95.81 121.44 37.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 75.6 mtm -119.55 159.21 46.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.42 3.79 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.533 1.807 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.517 1.799 . . . . 0.0 111.053 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.406 ' O ' ' CG ' ' A' ' 85' ' ' PRO . 13.5 mt-30 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.419 ' CE2' ' NH2' ' A' ' 29' ' ' ARG . 53.1 m-85 -99.7 146.89 26.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -80.71 131.06 35.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.598 HD12 ' O ' ' A' ' 24' ' ' ILE . 5.2 mt -83.78 143.96 29.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -55.27 166.08 0.96 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -16.7 20.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -97.29 -26.83 14.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.45 HD22 HD13 ' A' ' 81' ' ' LEU . 7.2 tp -92.41 -45.56 8.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -45.32 -29.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.13 -29.66 15.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' LEU . 11.7 tp -60.12 -61.17 2.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.7 mt -83.21 -33.02 26.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.21 16.26 53.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.598 ' O ' HD12 ' A' ' 14' ' ' LEU . 5.5 mt -97.46 100.76 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -50.99 -64.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.566 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.5 m -155.0 115.17 3.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.436 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.727 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -133.06 -168.76 2.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.684 ' O ' HD12 ' A' ' 32' ' ' ILE . 17.7 p -84.36 -177.89 6.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.577 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -76.22 -46.58 3.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 110.288 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -74.96 -5.6 17.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.727 HG11 ' CG ' ' A' ' 27' ' ' GLN . 40.5 t -99.22 -29.17 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.684 HD12 ' O ' ' A' ' 28' ' ' THR . 22.8 mt -87.64 -54.79 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.603 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.1 tt -41.85 -45.11 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' ALA . 15.6 mm-40 -65.24 -61.25 2.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.63 -42.61 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.241 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.533 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.7 tp -67.91 -50.6 55.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.603 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 62.0 m95 -52.53 -42.02 63.99 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -62.62 -12.08 20.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.514 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 6.0 t80 -87.39 -47.48 8.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.468 HG21 ' HE1' ' A' ' 71' ' ' PHE . 26.2 mt -70.3 -20.85 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -84.5 -46.05 12.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 m -75.97 -44.03 41.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.358 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 44' ' ' LYS . 1.7 m80 -81.69 2.09 31.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.62 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 43' ' ' HIS . 1.4 mtpt 38.8 58.61 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.757 HD13 HD12 ' A' ' 60' ' ' LEU . 90.0 mt -85.74 4.2 37.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.57 133.23 30.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 50' ' ' GLU . 22.9 t70 -66.44 126.98 93.06 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -15.07 21.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -81.29 -56.08 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.609 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.462 ' O ' ' O ' ' A' ' 47' ' ' ASP . 3.1 mm-40 -111.75 -175.62 2.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -116.16 -19.69 10.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.595 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 9.9 pm0 -96.06 -16.14 21.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.595 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 56.2 m-85 -93.85 166.96 11.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.603 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -148.36 127.77 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 4.1 mt -83.3 115.63 22.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.452 ' HB3' ' CB ' ' A' ' 60' ' ' LEU . 11.1 m -70.99 127.0 31.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.279 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.475 ' OD2' HD21 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -62.49 -178.82 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -49.77 -57.37 7.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.534 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 3.9 m-30 -51.69 -58.18 7.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.757 HD12 HD13 ' A' ' 45' ' ' LEU . 95.9 mt -54.96 -44.14 74.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -57.24 -18.58 16.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -99.42 -13.72 19.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.401 ' CD1' HD22 ' A' ' 21' ' ' LEU . 65.7 mt -102.22 -60.1 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.536 ' CE2' HD22 ' A' ' 60' ' ' LEU . 37.0 m-85 -76.93 -36.42 56.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 67.92 30.02 6.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.81 95.91 4.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.977 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.52 -44.84 26.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.467 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 15.4 ttt180 -139.88 122.33 16.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -139.44 166.12 25.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.574 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -86.93 142.63 27.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.603 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 2.1 m-85 -52.55 -29.01 23.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.412 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 0.3 OUTLIER -78.75 -11.54 59.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.946 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -95.42 -1.13 51.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.3 mm -72.11 -45.85 11.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.99 -12.2 21.52 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.521 1.8 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -85.54 -19.36 31.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.341 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -102.67 -21.12 14.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 82' ' ' LEU . 7.3 mt -60.18 -43.28 95.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -43.15 -34.72 1.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.564 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.08 -45.22 58.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.461 HD12 HD23 ' A' ' 78' ' ' LEU . 11.0 mt -72.36 -14.01 61.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 78' ' ' LEU . 49.6 mt -101.08 112.65 25.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 75.5 mtm -113.37 160.13 32.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 113.98 3.92 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.406 ' CG ' ' O ' ' A' ' 11' ' ' GLN . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 27' ' ' GLN . 12.2 mt-30 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.467 ' HB2' HD22 ' A' ' 82' ' ' LEU . 55.0 m-85 -105.1 147.38 27.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 ttpp -79.47 131.5 36.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.469 HD12 ' O ' ' A' ' 24' ' ' ILE . 4.6 mt -84.51 142.87 29.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -53.79 166.67 0.58 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -15.39 20.74 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 110.972 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.9 mtm-85 -97.1 -28.55 14.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.564 HD22 HD13 ' A' ' 81' ' ' LEU . 8.1 tp -91.73 -47.57 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.97 -30.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.446 ' N ' ' C ' ' A' ' 18' ' ' LEU . 9.6 mtp180 -94.18 -48.07 6.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.349 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.7 tp -41.2 -61.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.9 mt -82.31 -34.04 28.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.27 6.54 62.85 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.463 1.102 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.469 ' O ' HD12 ' A' ' 14' ' ' LEU . 5.0 mt -87.07 107.4 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -59.5 -61.29 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.611 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.8 m -157.14 111.08 2.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.402 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.645 ' CG ' HG11 ' A' ' 31' ' ' VAL . 1.2 mp0 -127.47 -170.9 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.615 ' O ' HD12 ' A' ' 32' ' ' ILE . 81.9 p -82.91 -169.1 2.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.623 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 17.6 ttp180 -83.37 -44.11 0.83 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.99 -6.26 17.84 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.645 HG11 ' CG ' ' A' ' 27' ' ' GLN . 20.5 t -100.58 -33.87 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.615 HD12 ' O ' ' A' ' 28' ' ' THR . 58.3 mt -79.16 -43.93 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.227 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.601 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.2 tt -55.17 -41.51 60.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' TRP . 63.6 mm-40 -69.81 -62.87 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.43 -30.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.701 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.4 tp -80.63 -51.69 8.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 57.3 m95 -51.95 -45.84 64.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 108.021 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -58.06 -16.1 11.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.518 ' CE1' ' CD2' ' A' ' 43' ' ' HIS . 5.1 t80 -84.43 -46.8 11.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.432 ' CD1' HG21 ' A' ' 54' ' ' VAL . 65.4 mt -66.91 -24.11 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 0.0 109.354 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -84.5 -50.41 7.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.8 m -68.66 -39.7 80.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.518 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 1.8 m80 -88.84 -2.22 58.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.616 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.8 mttt 43.68 58.69 3.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.653 HD13 HD12 ' A' ' 60' ' ' LEU . 53.3 mt -82.39 1.99 34.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.46 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.1 tt0 -51.49 128.14 22.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' A' ' 50' ' ' GLU . 33.4 t70 -63.06 130.23 93.99 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.73 20.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.548 1.815 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.44 -57.22 3.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.6 mm-40 -111.22 167.34 10.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.46 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 1.3 mmt-85 -104.82 -5.56 21.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.59 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 10.3 pm0 -104.99 -22.78 13.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.59 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 61.0 m-85 -90.48 167.8 12.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.649 ' CG1' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -146.45 120.49 2.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.464 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 6.9 mt -78.1 116.7 18.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.0 m -69.21 138.14 53.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 108.282 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -72.89 166.99 21.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.507 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -41.21 -41.65 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.507 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 12.3 m-85 -65.48 -63.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.653 HD12 HD13 ' A' ' 45' ' ' LEU . 83.8 mt -53.0 -40.19 63.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -57.86 -19.95 32.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -98.96 -12.8 20.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.7 mt -101.75 -63.02 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 77' ' ' ARG . 27.2 m-85 -73.22 -36.59 66.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 69.88 30.07 3.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.348 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.31 91.97 3.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.2 -45.22 16.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.464 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 17.7 ttt180 -138.85 122.06 16.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.464 ' HE2' HD13 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -139.13 166.41 24.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 111.036 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -88.18 143.83 26.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 2.6 m-85 -52.68 -25.92 12.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.417 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 48.1 t -82.74 -11.56 58.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -95.86 1.49 53.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.701 ' CG2' HD21 ' A' ' 36' ' ' LEU . 2.5 mm -76.42 -45.64 3.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.94 -12.07 21.62 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.472 1.775 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -92.05 -16.55 26.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.344 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.452 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -101.71 -16.32 16.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 82' ' ' LEU . 8.5 mt -65.58 -42.28 91.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -39.96 -37.54 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.572 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.94 -51.72 36.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.564 HD13 HD22 ' A' ' 18' ' ' LEU . 11.9 mt -65.85 -18.91 65.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.602 HD21 HG21 ' A' ' 32' ' ' ILE . 89.0 mt -95.29 119.8 34.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 73.7 mtm -118.92 159.91 42.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 116.12 4.49 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.416 1.746 . . . . 0.0 111.042 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.448 ' HG3' HG22 ' A' ' 28' ' ' THR . 5.0 mp0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -111.74 156.26 22.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -90.68 130.92 36.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.992 HD21 HD13 ' A' ' 32' ' ' ILE . 5.2 mt -81.89 146.76 29.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -58.83 167.55 1.85 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -16.39 20.21 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 110.974 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.465 ' HB3' HD11 ' A' ' 63' ' ' ILE . 21.1 mtm180 -97.1 -27.28 14.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.489 HD22 HD13 ' A' ' 81' ' ' LEU . 6.4 tp -92.34 -47.67 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.38 -30.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.443 ' N ' ' C ' ' A' ' 18' ' ' LEU . 1.7 ptm180 -95.13 -39.81 9.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.443 ' HA ' HD12 ' A' ' 21' ' ' LEU . 10.9 tp -48.12 -60.86 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.5 mt -83.55 -34.72 25.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.83 15.5 52.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.522 ' O ' HD12 ' A' ' 14' ' ' LEU . 12.3 mt -96.17 99.66 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.761 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -49.95 -66.51 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.625 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.421 ' O ' ' CD ' ' A' ' 27' ' ' GLN . 2.7 m -151.72 121.07 6.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.729 ' CG ' HG11 ' A' ' 31' ' ' VAL . 1.5 mp0 -142.55 -167.59 2.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.501 ' O ' HD12 ' A' ' 32' ' ' ILE . 46.6 p -85.35 -166.78 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.36 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.585 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 12.4 ttp85 -83.66 -46.42 0.78 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.99 -6.81 18.53 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.439 1.757 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.729 HG11 ' CG ' ' A' ' 27' ' ' GLN . 44.2 t -101.04 -22.51 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.992 HD13 HD21 ' A' ' 14' ' ' LEU . 86.7 mt -97.36 -40.47 10.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.466 ' HB ' ' O ' ' A' ' 29' ' ' ARG . 3.1 tt -58.73 -40.58 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -65.65 -58.95 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.39 -27.31 0.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.506 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.4 tp -82.51 -47.43 12.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.441 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 60.9 m95 -55.06 -43.38 73.78 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.02 -14.6 49.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.606 ' CE1' ' CD2' ' A' ' 43' ' ' HIS . 6.5 t80 -84.06 -45.5 12.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.605 ' CD1' HG21 ' A' ' 54' ' ' VAL . 52.9 mt -67.13 -24.87 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -84.13 -49.07 9.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.6 m -69.62 -37.3 76.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.376 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.606 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 1.1 m80 -92.22 1.07 57.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 43' ' ' HIS . 8.2 mttt 39.62 59.53 1.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.7 HD13 HD12 ' A' ' 60' ' ' LEU . 80.1 mt -84.97 1.25 48.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.464 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.2 tt0 -51.65 129.72 26.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 50' ' ' GLU . 26.7 t70 -64.45 128.18 93.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -11.45 21.6 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.493 1.786 . . . . 0.0 111.047 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.499 ' NE2' HD11 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -83.27 -51.37 7.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.561 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.462 ' O ' ' O ' ' A' ' 47' ' ' ASP . 3.1 mm-40 -116.76 -174.23 2.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.464 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.27 -15.59 9.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.311 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.618 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 6.5 pm0 -98.79 -22.56 15.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.618 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 54.5 m-85 -87.0 166.33 15.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.605 HG21 ' CD1' ' A' ' 40' ' ' ILE . 0.2 OUTLIER -147.83 121.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.499 HD11 ' NE2' ' A' ' 49' ' ' HIS . 2.6 mt -81.8 115.47 21.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.2 m -65.46 139.0 58.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 108.272 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.71 -177.55 1.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.456 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 1.6 ptpt -57.19 -39.47 75.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.456 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 14.1 m-85 -68.31 -53.18 26.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.7 HD12 HD13 ' A' ' 45' ' ' LEU . 95.8 mt -61.33 -41.9 97.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -55.32 -18.77 7.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -99.03 -15.29 19.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.52 HG23 HD22 ' A' ' 81' ' ' LEU . 8.9 mt -101.59 -59.64 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.557 ' CE2' HD22 ' A' ' 60' ' ' LEU . 38.4 m-85 -76.35 -39.47 53.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 68.91 30.17 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.12 94.13 4.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -45.34 -44.85 12.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 13.0 ttt180 -143.99 123.57 13.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.501 ' HE2' HD13 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -139.31 166.25 25.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.944 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.591 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -86.97 142.72 27.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.615 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 3.2 m-85 -53.78 -20.23 5.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.1 -11.69 56.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -97.53 0.84 48.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.629 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 3.1 mm -74.65 -44.94 5.46 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.0 -13.76 21.32 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -93.45 -16.61 24.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.86 -18.61 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 82' ' ' LEU . 7.2 mt -64.64 -39.59 93.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -43.39 -38.07 2.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.594 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.22 -47.91 72.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.52 HD22 HG23 ' A' ' 63' ' ' ILE . 13.6 mt -70.41 -20.27 62.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 78' ' ' LEU . 81.7 mt -92.39 120.01 32.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 30.9 mtm -117.38 158.24 45.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 115.67 4.36 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -115.13 145.79 42.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 tmmt? -79.74 126.56 31.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.853 HD21 HD13 ' A' ' 32' ' ' ILE . 4.3 mt -79.03 143.74 35.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -55.75 167.14 0.86 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -15.35 20.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.542 1.812 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -97.5 -27.98 14.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.57 HD22 HD13 ' A' ' 81' ' ' LEU . 6.8 tp -92.11 -47.71 7.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.94 -30.74 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.438 ' N ' ' C ' ' A' ' 18' ' ' LEU . 3.9 ptm180 -95.13 -40.99 9.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.513 HD23 HD12 ' A' ' 18' ' ' LEU . 12.8 tp -45.07 -60.15 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.3 mt -84.72 -35.85 22.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.19 -0.42 57.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.509 ' O ' HD12 ' A' ' 14' ' ' LEU . 4.6 mt -82.2 109.88 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -61.29 -64.38 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.567 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -152.28 114.13 4.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.399 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.717 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -132.99 -169.61 2.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.432 ' O ' HD12 ' A' ' 32' ' ' ILE . 76.7 p -83.59 -168.25 2.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.604 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 6.1 ttp-105 -84.07 -45.2 0.76 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -75.04 -5.78 17.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.534 1.807 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.717 HG11 ' CG ' ' A' ' 27' ' ' GLN . 31.2 t -100.84 -30.75 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.853 HD13 HD21 ' A' ' 14' ' ' LEU . 86.1 mt -85.37 -51.06 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.486 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.4 tt -46.04 -45.04 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 37' ' ' TRP . 4.8 mm-40 -64.66 -60.64 2.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.09 -29.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.581 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 6.0 tp -80.92 -51.16 8.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.486 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 86.8 m95 -52.41 -46.23 66.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 108.028 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -59.64 -14.75 15.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.263 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.492 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 5.1 t80 -86.41 -48.53 8.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.676 HG23 ' HB2' ' A' ' 45' ' ' LEU . 44.7 mt -66.51 -22.3 29.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -85.29 -50.82 7.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.234 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.0 m -69.63 -39.8 76.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.433 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.421 ' CD2' ' CE2' ' A' ' 39' ' ' TYR . 1.5 m80 -88.61 4.66 46.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' HIS . 9.6 mmtt 40.18 59.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.244 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.717 HD13 HD12 ' A' ' 60' ' ' LEU . 81.1 mt -81.9 -4.12 55.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.9 OUTLIER -51.91 126.3 17.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.278 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 50' ' ' GLU . 32.7 t70 -59.67 130.8 88.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.27 21.48 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.519 1.799 . . . . 0.0 111.032 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.13 -54.68 4.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.58 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.457 ' O ' ' O ' ' A' ' 47' ' ' ASP . 5.8 mm-40 -110.56 -175.7 2.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.458 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.1 -13.82 9.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.614 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 1.3 pm0 -100.99 -19.67 15.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.614 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 55.2 m-85 -89.61 166.25 13.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.783 HG11 HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -145.9 122.68 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.493 HD21 ' HG3' ' A' ' 68' ' ' ARG . 6.3 mt -81.71 111.63 18.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 33.7 m -64.62 134.06 53.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 108.333 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.36 -179.49 2.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -51.8 -45.9 64.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.526 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 4.3 m-30 -62.41 -61.4 2.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.717 HD12 HD13 ' A' ' 45' ' ' LEU . 98.4 mt -52.23 -41.88 63.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -57.3 -19.19 20.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -99.29 -14.28 19.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.426 HG23 ' CD2' ' A' ' 81' ' ' LEU . 13.1 mt -101.67 -60.06 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.552 ' CE2' HD22 ' A' ' 60' ' ' LEU . 40.9 m-85 -77.62 -40.87 40.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 70.81 30.24 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.243 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.23 94.65 4.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -41.83 -47.24 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.493 ' HG3' HD21 ' A' ' 55' ' ' LEU . 8.1 ttp180 -147.33 124.18 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.444 ' HE3' HD13 ' A' ' 74' ' ' ILE . 0.8 OUTLIER -138.15 163.33 31.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.573 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -82.07 142.57 32.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.622 ' HE1' HG21 ' A' ' 40' ' ' ILE . 3.9 m-85 -52.43 -28.57 20.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 38.8 t -76.41 -12.56 60.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -96.07 3.56 53.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.783 HD11 HG11 ' A' ' 54' ' ' VAL . 2.3 mm -74.92 -45.99 4.97 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.02 -10.86 21.36 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.553 1.817 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -91.05 -18.67 24.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -101.56 -23.43 14.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' LEU . 7.3 mt -59.11 -37.71 77.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -46.55 -28.26 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.614 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.81 -45.49 28.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.57 HD13 HD22 ' A' ' 18' ' ' LEU . 11.8 mt -75.08 -10.54 59.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.447 HD21 HG21 ' A' ' 32' ' ' ILE . 83.7 mt -103.69 117.27 33.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 28.7 mtm -118.35 158.54 46.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 114.31 4.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.498 1.788 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.53 1.805 . . . . 0.0 110.985 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 27' ' ' GLN . 9.2 mt-30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -104.58 146.38 28.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 ttpp -80.74 129.54 34.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.859 HD21 HD13 ' A' ' 32' ' ' ILE . 4.5 mt -83.42 143.5 30.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -53.01 167.37 0.41 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -17.55 19.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.772 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -96.67 -26.74 15.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.587 HD22 HD13 ' A' ' 81' ' ' LEU . 7.2 tp -92.14 -47.69 7.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.91 -30.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.358 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.442 ' N ' ' C ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -95.08 -46.31 6.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 21' ' ' LEU . 14.5 tp -40.48 -58.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.5 mt -86.59 -35.14 19.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.83 12.98 54.87 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.425 ' O ' HD12 ' A' ' 14' ' ' LEU . 10.7 mt -93.39 104.78 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 0.777 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -58.84 -60.14 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.583 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.2 m -156.99 112.32 2.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 110.432 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.654 ' HG2' HG11 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -132.18 -170.16 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.572 ' OG1' HG23 ' A' ' 31' ' ' VAL . 34.2 p -82.24 -176.06 5.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.455 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.609 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 3.6 ttt-85 -78.92 -44.8 1.81 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.04 -6.21 17.74 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.466 1.772 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.654 HG11 ' HG2' ' A' ' 27' ' ' GLN . 42.3 t -99.13 -33.1 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.859 HD13 HD21 ' A' ' 14' ' ' LEU . 68.3 mt -82.32 -55.43 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.569 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.1 tt -41.01 -44.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 37' ' ' TRP . 14.2 mt-30 -67.35 -59.53 3.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.75 -30.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.527 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.9 tp -81.76 -51.54 8.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.569 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 85.5 m95 -51.91 -45.14 64.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 108.008 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -59.29 -14.76 12.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.51 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 5.4 t80 -86.18 -47.54 9.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.724 HG23 ' HB2' ' A' ' 45' ' ' LEU . 41.9 mt -67.42 -24.1 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -82.78 -50.75 8.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.4 m -69.66 -43.55 72.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.483 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 1.6 m80 -84.75 3.98 34.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.604 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.2 mttt 41.03 58.35 2.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.724 ' HB2' HG23 ' A' ' 40' ' ' ILE . 91.2 mt -79.44 -3.33 46.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.474 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.9 OUTLIER -51.32 123.42 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.531 ' OD1' HD21 ' A' ' 55' ' ' LEU . 36.2 t70 -59.58 132.22 88.54 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -14.51 21.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.451 1.763 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.43 -57.08 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.587 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.458 ' O ' ' O ' ' A' ' 47' ' ' ASP . 6.7 mm-40 -113.38 173.24 6.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.474 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -107.06 -13.78 15.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.597 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 4.8 pm0 -97.14 -20.76 17.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.346 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.597 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 58.0 m-85 -91.04 167.52 12.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.658 ' CG1' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -148.02 122.25 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.531 HD21 ' OD1' ' A' ' 47' ' ' ASP . 6.0 mt -78.54 108.45 11.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 20.8 m -62.49 128.88 38.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 108.291 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -178.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -54.74 -47.12 74.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.529 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 4.1 m-30 -61.02 -56.39 21.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.62 HD12 HD13 ' A' ' 45' ' ' LEU . 90.7 mt -56.2 -42.72 77.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -56.11 -17.88 8.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -99.01 -15.08 19.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.419 HG23 ' CD2' ' A' ' 81' ' ' LEU . 13.3 mt -101.67 -58.5 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.54 ' CE2' HD22 ' A' ' 60' ' ' LEU . 38.7 m-85 -78.07 -40.38 38.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 69.46 30.78 3.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.04 94.82 4.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -42.01 -47.64 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.264 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.547 ' NE ' ' CD2' ' A' ' 53' ' ' PHE . 6.0 ttp180 -142.51 123.13 14.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.46 ' HE2' HD13 ' A' ' 74' ' ' ILE . 2.0 ptm -138.15 162.05 35.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -80.18 140.46 36.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.661 ' HE1' HG21 ' A' ' 40' ' ' ILE . 2.3 m-85 -51.62 -32.2 28.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 t -73.64 -12.29 60.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -95.85 3.49 53.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.422 1.076 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.658 HD11 ' CG1' ' A' ' 54' ' ' VAL . 2.1 mm -75.19 -45.95 4.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.0 -11.47 21.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.46 1.768 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -88.62 -17.26 30.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.438 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -104.8 -16.88 14.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.595 HD23 HD12 ' A' ' 81' ' ' LEU . 8.9 mt -66.0 -42.78 89.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -42.56 -34.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.6 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.89 -47.01 55.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.595 HD12 HD23 ' A' ' 78' ' ' LEU . 16.3 mt -70.74 -17.58 62.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.458 HD21 HG21 ' A' ' 32' ' ' ILE . 61.5 mt -97.36 110.21 22.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 50.2 mtm -110.19 159.04 33.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 113.55 3.82 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.022 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 29' ' ' ARG . 15.9 m-85 -102.04 151.66 21.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -92.15 131.12 37.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.449 HD21 HD13 ' A' ' 32' ' ' ILE . 3.8 mt -81.97 146.14 29.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.6 167.37 1.38 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.232 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.61 20.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.85 -27.76 14.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.66 HD22 HD13 ' A' ' 81' ' ' LEU . 7.3 tp -92.1 -47.45 7.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.31 -31.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.441 ' N ' ' C ' ' A' ' 18' ' ' LEU . 2.7 mpt_? -93.92 -48.81 6.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' ARG . 10.6 tp -39.96 -59.79 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.1 mt -83.6 -32.7 25.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.04 -9.87 63.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.61 HG23 ' CD ' ' A' ' 27' ' ' GLN . 35.7 mt -71.4 135.12 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -90.42 -64.37 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.578 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 m -158.16 136.56 11.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 110.38 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.61 ' CD ' HG23 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -175.15 -166.97 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.258 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.936 ' O ' HD12 ' A' ' 32' ' ' ILE . 14.9 p -64.98 175.01 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.666 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 7.7 ttp-105 -78.62 -41.07 1.78 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.1 -4.62 15.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.604 HG23 ' OG1' ' A' ' 28' ' ' THR . 19.8 t -97.65 -19.18 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.936 HD12 ' O ' ' A' ' 28' ' ' THR . 5.6 mt -101.26 -44.19 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.53 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.4 tt -51.54 -42.11 28.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -63.5 -47.24 82.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.498 ' HB2' HD11 ' A' ' 24' ' ' ILE . . . -55.64 -24.46 33.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.603 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 6.0 tp -85.96 -47.14 9.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.53 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 95.4 m95 -55.49 -42.29 74.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 108.033 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -67.4 -15.1 63.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.567 ' CE1' ' CD2' ' A' ' 43' ' ' HIS . 8.0 t80 -85.05 -44.69 12.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.71 HG23 ' HB2' ' A' ' 45' ' ' LEU . 30.9 mt -69.5 -25.25 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.48 -49.8 10.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m -68.74 -43.92 74.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.567 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 1.3 m80 -82.41 -1.72 50.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.62 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt 47.5 57.08 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.748 HD13 HD12 ' A' ' 60' ' ' LEU . 90.0 mt -81.59 -5.49 58.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.469 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.9 OUTLIER -51.51 125.88 15.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.44 ' O ' ' O ' ' A' ' 50' ' ' GLU . 36.8 t70 -59.57 132.02 88.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -12.99 21.53 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.782 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.58 -54.64 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.585 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 47' ' ' ASP . 2.8 mm-40 -110.76 -174.21 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.469 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.13 -18.46 9.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 110.334 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.617 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 6.4 pm0 -95.73 -23.6 16.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.617 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 52.1 m-85 -85.48 165.44 17.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.63 HG11 HD11 ' A' ' 74' ' ' ILE . 0.8 OUTLIER -145.64 124.34 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.435 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 6.2 mt -82.98 100.45 10.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 60.4 m -51.83 141.14 17.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 108.325 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.06 174.15 11.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.493 ' HE2' ' CZ ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -48.71 -33.28 9.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.493 ' CZ ' ' HE2' ' A' ' 58' ' ' LYS . 14.3 m-85 -73.73 -62.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.748 HD12 HD13 ' A' ' 45' ' ' LEU . 89.4 mt -54.26 -38.62 66.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -57.58 -19.85 28.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -99.4 -12.81 19.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.43 HG23 ' CD2' ' A' ' 81' ' ' LEU . 19.9 mt -101.92 -58.98 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.535 ' CE1' HD22 ' A' ' 60' ' ' LEU . 31.2 m-85 -77.02 -36.21 56.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 68.59 30.49 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.93 98.29 5.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -48.74 -43.29 37.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.435 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 15.3 ttt180 -144.09 122.07 12.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.507 ' SD ' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -139.97 168.24 20.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.616 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -88.75 142.58 27.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.693 ' HE1' HG21 ' A' ' 40' ' ' ILE . 3.0 m-85 -55.97 -23.92 35.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.62 -13.9 59.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.37 7.33 46.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.63 HD11 HG11 ' A' ' 54' ' ' VAL . 1.4 mm -75.71 -46.23 4.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.97 -11.28 21.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.23 -17.52 23.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -102.98 -23.35 13.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.352 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.496 HD12 HG13 ' A' ' 33' ' ' ILE . 6.7 mt -60.54 -39.66 88.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -41.02 -34.1 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.28 -50.92 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.66 HD13 HD22 ' A' ' 18' ' ' LEU . 17.3 mt -67.84 -15.44 63.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 78' ' ' LEU . 82.9 mt -99.39 113.23 25.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 44.6 mtm -115.87 159.17 40.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 114.55 4.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 27' ' ' GLN . 14.9 mt-30 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.708 ' CZ ' ' CZ ' ' A' ' 29' ' ' ARG . 52.1 m-85 -101.17 148.71 24.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -77.99 132.98 38.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.01 HD12 ' O ' ' A' ' 24' ' ' ILE . 3.9 mt -85.41 144.74 27.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.524 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -54.63 162.12 1.88 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -16.2 20.19 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.772 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -97.46 -27.62 14.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.662 HD22 HD13 ' A' ' 81' ' ' LEU . 6.8 tp -92.35 -45.81 8.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -38.49 -35.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -90.45 -47.82 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.257 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.5 tp -40.16 -55.02 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.7 mt -87.14 -36.8 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.09 -16.88 38.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.01 ' O ' HD12 ' A' ' 14' ' ' LEU . 85.3 mt -84.77 120.58 35.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.565 0.803 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -89.05 -36.6 15.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.576 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.466 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 9.2 m -146.86 139.14 24.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.38 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.536 ' CG ' HG11 ' A' ' 31' ' ' VAL . 1.5 tp-100 -175.44 -177.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.478 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 74.3 p -76.64 -170.01 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.458 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.826 HH11 HD13 ' A' ' 82' ' ' LEU . 4.3 tpp180 -84.49 -43.51 0.72 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.95 -9.98 21.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.431 1.753 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.536 HG11 ' CG ' ' A' ' 27' ' ' GLN . 77.6 t -101.49 -14.48 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.785 HD13 HD21 ' A' ' 14' ' ' LEU . 42.4 mt -100.34 -36.3 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.551 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.0 OUTLIER -65.7 -43.91 93.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 36' ' ' LEU . 57.7 mm-40 -65.21 -58.54 5.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.87 -30.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.597 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 5.9 tp -81.59 -52.05 7.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.551 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 93.6 m95 -52.28 -45.56 65.52 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -14.3 17.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.503 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 5.4 t80 -86.19 -49.12 7.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.602 HG21 ' HE1' ' A' ' 71' ' ' PHE . 34.2 mt -68.11 -25.43 31.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -51.27 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.3 m -68.82 -44.29 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -83.05 0.5 44.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 109.609 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 mttt 40.45 59.41 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.761 HD13 HD12 ' A' ' 60' ' ' LEU . 85.3 mt -85.25 2.83 42.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.08 134.32 32.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.262 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' A' ' 50' ' ' GLU . 23.2 t70 -66.86 128.67 93.96 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.73 20.06 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.09 -53.69 7.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.619 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.443 ' O ' ' O ' ' A' ' 47' ' ' ASP . 9.0 mm-40 -111.79 -173.18 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.62 -10.27 10.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.574 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 9.6 pm0 -108.0 -15.64 14.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.574 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 36.5 m-85 -90.28 165.31 13.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.786 HG11 HD11 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -144.81 124.7 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.474 ' CD2' ' HB2' ' A' ' 68' ' ' ARG . 10.4 mt -81.98 105.12 12.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.7 m -58.68 131.3 50.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 108.332 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.1 178.06 2.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.47 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 2.2 ptpt -53.33 -33.16 52.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.47 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 14.7 m-85 -72.44 -56.07 6.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.761 HD12 HD13 ' A' ' 45' ' ' LEU . 90.8 mt -60.64 -35.93 77.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -59.39 -19.85 50.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.098 . . . . 0.0 110.312 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -99.34 -13.63 19.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.528 HG23 HD21 ' A' ' 81' ' ' LEU . 11.8 mt -102.1 -61.98 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.542 ' CE2' HD22 ' A' ' 60' ' ' LEU . 36.8 m-85 -76.38 -36.93 57.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 66.4 31.08 8.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 110.329 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.13 94.07 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -40.37 -48.33 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.474 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . 4.5 ttp180 -147.24 122.75 10.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.467 ' CE ' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.01 167.64 21.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 110.983 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -83.65 142.31 30.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.602 ' HE1' HG21 ' A' ' 40' ' ' ILE . 3.7 m-85 -52.3 -28.54 19.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 t -74.35 -12.98 60.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.973 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -95.56 5.71 50.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.786 HD11 HG11 ' A' ' 54' ' ' VAL . 1.6 mm -76.54 -46.88 3.25 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.1 Cg_endo -74.98 -11.46 21.52 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.496 1.787 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -91.56 -13.88 31.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.506 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -108.23 -11.77 15.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.281 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.727 HD23 HD12 ' A' ' 81' ' ' LEU . 9.8 mt -73.57 -41.64 62.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.416 ' CD2' ' O ' ' A' ' 75' ' ' PRO . 96.8 m-70 -41.19 -36.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.62 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.53 -49.28 42.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.727 HD12 HD23 ' A' ' 78' ' ' LEU . 38.3 mt -65.07 -12.11 47.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.826 HD13 HH11 ' A' ' 29' ' ' ARG . 28.6 mt -101.24 122.89 44.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 61.8 mtm -123.35 160.51 50.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 113.56 3.82 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 111.009 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.427 ' OE1' HG22 ' A' ' 26' ' ' THR . 11.4 mt-30 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -106.74 151.14 25.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -84.82 126.42 33.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.046 HD21 HD13 ' A' ' 32' ' ' ILE . 4.8 mt -78.91 144.66 34.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.47 167.14 1.39 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.16 20.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.798 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -96.89 -27.41 14.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.504 HD22 HD13 ' A' ' 81' ' ' LEU . 7.8 tp -92.46 -47.55 7.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -44.82 -28.74 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.58 -30.12 13.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 18' ' ' LEU . 14.4 tp -58.85 -61.4 2.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.4 mt -81.48 -34.08 31.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.16 17.3 43.76 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.474 ' O ' HD12 ' A' ' 14' ' ' LEU . 8.9 mt -100.26 105.69 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -53.67 -67.04 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.612 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.427 HG22 ' OE1' ' A' ' 11' ' ' GLN . 1.6 m -151.3 121.37 7.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.744 ' CG ' HG11 ' A' ' 31' ' ' VAL . 1.9 mp0 -138.96 -171.31 3.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.553 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 36.2 p -81.44 -167.29 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.576 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 11.0 ttp180 -83.61 -47.22 0.77 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.01 -4.51 15.52 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.744 HG11 ' CG ' ' A' ' 27' ' ' GLN . 47.0 t -100.83 -23.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.046 HD13 HD21 ' A' ' 14' ' ' LEU . 92.4 mt -95.66 -47.75 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.519 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.3 tt -48.94 -45.59 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 37' ' ' TRP . 7.8 mm100 -64.88 -61.18 2.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.52 -31.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.5 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.9 tp -78.55 -50.68 11.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.519 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 84.1 m95 -52.86 -46.33 67.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -58.41 -15.53 11.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 5.2 t80 -85.07 -47.62 10.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.537 HG21 ' HE1' ' A' ' 71' ' ' PHE . 47.9 mt -67.34 -24.42 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.24 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.77 -50.41 8.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.4 m -69.51 -43.82 72.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.386 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.443 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 2.5 m80 -82.94 -3.38 57.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.61 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.2 mttt 44.69 58.13 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.627 HD13 HD12 ' A' ' 60' ' ' LEU . 33.0 mt -82.23 0.83 39.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -51.4 131.55 28.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 50' ' ' GLU . 31.0 t70 -65.77 129.96 94.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -16.39 20.3 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.537 1.809 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.15 -55.56 4.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.572 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' A' ' 47' ' ' ASP . 3.5 mm-40 -109.04 -174.77 2.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.452 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -119.13 -16.21 9.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.593 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 7.9 pm0 -99.05 -19.81 17.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.593 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 53.0 m-85 -89.22 169.09 11.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.613 ' CG1' HD11 ' A' ' 74' ' ' ILE . 1.3 p -149.41 123.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.472 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 4.1 mt -80.76 114.55 19.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.5 m -63.89 141.72 58.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.52 ' OD1' HD12 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -78.52 173.74 12.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.496 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 4.8 ptpt -45.67 -41.0 9.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.496 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 11.3 m-85 -68.23 -62.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.981 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.627 HD12 HD13 ' A' ' 45' ' ' LEU . 78.4 mt -51.94 -40.34 60.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -58.06 -20.44 39.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.84 -13.16 20.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.1 mt -101.94 -60.82 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.601 ' CE2' HD22 ' A' ' 60' ' ' LEU . 37.7 m-85 -75.08 -36.98 61.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.95 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 68.86 30.34 4.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.89 100.74 6.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -51.27 -43.16 61.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.472 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 11.9 ttt180 -141.65 122.96 14.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.9 ptm -139.37 166.34 24.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -89.41 143.32 26.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.587 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.4 m-85 -52.22 -34.17 44.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.28 -12.27 60.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.026 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -95.37 3.29 54.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.613 HD11 ' CG1' ' A' ' 54' ' ' VAL . 2.1 mm -76.12 -46.15 3.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.03 -11.22 21.42 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -91.8 -16.87 26.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.25 -16.05 15.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 78' ' ' LEU . 7.8 mt -67.01 -36.95 83.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -45.21 -32.5 1.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.585 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.22 -47.22 36.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.504 HD13 HD22 ' A' ' 18' ' ' LEU . 8.9 mt -70.89 -13.38 62.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 78' ' ' LEU . 84.7 mt -101.62 111.24 23.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 78.5 mtm -111.15 159.8 31.42 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 117.66 4.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.535 1.808 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.023 179.969 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -101.35 151.81 21.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 tmmt? -83.87 128.31 34.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.968 HD21 HD13 ' A' ' 32' ' ' ILE . 4.1 mt -81.37 144.2 31.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.502 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -54.73 167.24 0.63 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -17.11 19.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.459 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 25.7 mtm180 -97.21 -26.91 14.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.44 HD22 HD13 ' A' ' 81' ' ' LEU . 6.2 tp -92.15 -45.1 8.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -40.97 -33.11 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.459 ' NE ' ' HA ' ' A' ' 17' ' ' ARG . 25.2 ptt180 -93.47 -38.62 11.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.2 tp -48.06 -59.57 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.2 mt -86.65 -30.0 22.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.93 0.88 63.57 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.593 ' O ' HD12 ' A' ' 14' ' ' LEU . 23.2 mt -86.58 113.68 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -72.7 -56.64 4.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.604 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.1 m -152.6 112.11 3.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.39 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.624 ' HG2' HG11 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -139.16 -179.08 5.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.591 ' OG1' HG23 ' A' ' 31' ' ' VAL . 18.6 p -71.88 -179.03 2.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.615 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.8 ttt180 -78.6 -44.29 1.97 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.96 -5.79 17.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.624 HG11 ' HG2' ' A' ' 27' ' ' GLN . 39.2 t -98.67 -35.62 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.968 HD13 HD21 ' A' ' 14' ' ' LEU . 65.5 mt -79.31 -52.52 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.582 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.3 tt -44.09 -41.55 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.416 ' C ' ' N ' ' A' ' 36' ' ' LEU . 14.9 mm-40 -67.3 -61.03 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -42.31 -28.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.516 HD21 ' CG2' ' A' ' 74' ' ' ILE . 6.0 tp -81.57 -50.55 9.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.582 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 79.4 m95 -52.57 -45.05 66.29 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -60.53 -14.24 18.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.502 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 5.8 t80 -86.02 -46.66 10.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.538 HG21 ' HE1' ' A' ' 71' ' ' PHE . 67.3 mt -68.99 -23.65 27.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -48.39 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.7 m -71.91 -43.27 65.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.427 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 1.8 m80 -83.82 2.17 39.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.093 . . . . 0.0 109.583 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 43' ' ' HIS . 2.0 mmpt? 39.46 60.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.643 HD13 HD12 ' A' ' 60' ' ' LEU . 45.9 mt -85.53 2.06 46.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.475 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.2 tm0? -51.63 127.86 21.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 50' ' ' GLU . 28.9 t70 -63.59 130.48 94.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -19.16 18.13 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.439 1.757 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.96 -54.91 6.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.588 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.519 ' CB ' ' CD1' ' A' ' 53' ' ' PHE . 4.1 mm-40 -108.66 -173.27 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.475 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -119.22 -10.47 9.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.614 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -109.41 -14.71 14.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 12.1 m-85 -88.28 167.68 13.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.655 ' CG1' HD11 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -147.77 119.81 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.481 HD21 ' HG3' ' A' ' 68' ' ' ARG . 12.8 mt -78.69 110.07 13.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 35.5 m -61.94 133.63 55.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 108.306 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.536 ' OD1' HD12 ' A' ' 60' ' ' LEU . 9.4 p-10 -72.68 178.57 4.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -48.3 -48.55 35.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 8.0 m-30 -59.21 -63.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.643 HD12 HD13 ' A' ' 45' ' ' LEU . 94.3 mt -51.67 -40.95 60.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -56.32 -21.13 22.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.88 -13.58 21.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.494 HG23 HD22 ' A' ' 81' ' ' LEU . 15.3 mt -101.87 -61.35 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.541 ' CE2' HD22 ' A' ' 60' ' ' LEU . 34.2 m-85 -75.86 -41.96 50.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 71.26 32.07 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.341 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' GLN . 0.4 OUTLIER -126.84 91.76 3.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.962 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -38.42 -49.63 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.481 ' HG3' HD21 ' A' ' 55' ' ' LEU . 8.8 ttp180 -141.29 124.81 16.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.512 ' CE ' HD13 ' A' ' 74' ' ' ILE . 1.6 ptm -138.36 165.56 26.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 1.2 mttt -86.89 144.42 26.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.614 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 2.4 m-85 -52.57 -28.45 21.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.18 -11.62 59.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -96.14 2.88 53.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.338 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.655 HD11 ' CG1' ' A' ' 54' ' ' VAL . 2.3 mm -76.36 -45.26 3.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.03 -11.49 21.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.42 1.747 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -92.87 -14.86 27.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.489 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -106.08 -14.1 15.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 78' ' ' LEU . 7.8 mt -69.01 -37.49 78.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -45.59 -28.74 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.611 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.55 -44.3 29.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.494 HD22 HG23 ' A' ' 63' ' ' ILE . 8.1 mt -75.41 -12.01 60.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 78' ' ' LEU . 78.0 mt -102.29 119.17 38.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.407 ' CE ' ' HA ' ' A' ' 15' ' ' ASP . 57.7 mtm -122.84 159.54 53.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 115.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.126 0 O-C-N 124.52 1.8 . . . . 0.0 111.0 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 27' ' ' GLN . 21.0 mt-30 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -105.18 144.15 32.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -78.42 131.6 36.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.783 HD21 HD13 ' A' ' 32' ' ' ILE . 5.7 mt -84.96 146.01 27.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -55.5 167.62 0.72 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -15.57 20.73 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.434 ' NH2' ' OD2' ' A' ' 15' ' ' ASP . 26.9 mtm180 -97.15 -28.21 14.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.683 HD22 HD13 ' A' ' 81' ' ' LEU . 7.6 tp -91.97 -48.18 6.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.48 -31.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.431 ' N ' ' C ' ' A' ' 18' ' ' LEU . 8.7 mtt180 -93.37 -46.56 7.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.34 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.477 ' HA ' HD12 ' A' ' 21' ' ' LEU . 10.6 tp -40.71 -59.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 mt -87.31 -29.73 21.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.47 -6.21 71.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.455 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.7 mt -75.24 106.4 4.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 0.744 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -63.77 -55.43 23.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.614 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 93.2 m -157.44 110.79 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.738 ' HG2' HG11 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -130.52 -169.28 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.535 ' OG1' HG23 ' A' ' 31' ' ' VAL . 37.0 p -83.09 -177.12 6.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.409 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.619 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 46.9 ttp85 -79.57 -43.84 1.6 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.09 -5.83 17.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.738 HG11 ' HG2' ' A' ' 27' ' ' GLN . 38.1 t -99.31 -44.11 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.783 HD13 HD21 ' A' ' 14' ' ' LEU . 45.4 mt -68.25 -49.49 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.587 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.2 tt -48.77 -44.53 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' TRP . 15.4 mm100 -68.62 -61.21 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.44 -30.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.545 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.7 tp -81.02 -49.29 11.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 65.6 m95 -52.71 -43.12 65.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 107.99 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -62.01 -12.88 21.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.524 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 6.3 t80 -85.66 -48.97 8.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.552 ' CD1' HG21 ' A' ' 54' ' ' VAL . 42.5 mt -67.01 -24.75 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.47 -52.04 7.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.8 m -67.44 -43.14 81.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.439 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 44' ' ' LYS . 2.7 m80 -84.36 2.51 40.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.621 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' HIS . 22.2 mttt 39.0 58.11 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.69 HD13 HD12 ' A' ' 60' ' ' LEU . 88.2 mt -85.76 3.09 42.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.463 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.4 tt0 -51.16 133.52 27.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' A' ' 50' ' ' GLU . 64.1 t0 -65.95 125.66 90.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.423 ' HD2' ' OD1' ' A' ' 47' ' ' ASP . 18.2 Cg_endo -75.01 -10.58 21.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.779 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.468 ' CB ' ' OE2' ' A' ' 50' ' ' GLU . 1.7 m-70 -83.04 -48.79 10.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.468 ' OE2' ' CB ' ' A' ' 49' ' ' HIS . 13.1 mp0 -119.95 -171.77 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.463 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 4.9 mmt-85 -119.96 -10.56 9.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.61 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 3.0 pm0 -107.29 -13.48 15.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.61 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 57.7 m-85 -96.14 167.43 11.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.758 HG11 HD11 ' A' ' 74' ' ' ILE . 0.7 OUTLIER -145.22 130.26 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.46 HD21 ' HG3' ' A' ' 68' ' ' ARG . 6.1 mt -87.71 109.28 19.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 88.4 m -62.38 130.68 46.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 108.323 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.545 ' OD2' ' CD2' ' A' ' 59' ' ' TYR . 20.2 p-10 -68.61 -169.41 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -65.8 -33.3 75.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.545 ' CD2' ' OD2' ' A' ' 57' ' ' ASP . 12.4 m-30 -72.85 -52.55 14.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.69 HD12 HD13 ' A' ' 45' ' ' LEU . 87.1 mt -62.54 -37.66 86.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -57.69 -18.93 23.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -99.23 -13.5 19.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.437 HG23 ' CD2' ' A' ' 81' ' ' LEU . 12.2 mt -102.29 -59.69 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.533 ' CE2' HD22 ' A' ' 60' ' ' LEU . 42.1 m-85 -79.76 -40.18 29.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 70.69 29.92 3.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.66 94.74 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -42.37 -47.68 4.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' HG3' HD21 ' A' ' 55' ' ' LEU . 5.4 ttp180 -141.11 122.37 14.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.444 ' HE3' HG12 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.36 168.45 19.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 111.001 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.545 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 4.4 mttt -86.63 145.75 26.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.7 m-85 -54.49 -30.82 54.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.419 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 0.6 OUTLIER -76.74 -10.35 59.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.055 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -95.52 3.21 54.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.758 HD11 HG11 ' A' ' 54' ' ' VAL . 7.7 mt -77.89 -45.52 2.36 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.97 -12.12 21.57 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.516 1.798 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -89.64 -17.28 28.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.461 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -105.68 -8.66 17.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.297 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.861 HD23 HD12 ' A' ' 81' ' ' LEU . 8.4 mt -74.07 -36.53 64.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -43.06 -33.57 0.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.603 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.5 -44.96 33.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.861 HD12 HD23 ' A' ' 78' ' ' LEU . 13.9 mt -71.24 -10.84 60.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' LEU . 38.8 mt -106.07 112.85 26.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.371 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 66.1 mtm -117.86 158.91 44.58 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 115.42 4.27 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.496 1.788 . . . . 0.0 110.968 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -101.61 155.16 18.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -86.61 138.67 31.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.366 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.894 HD12 ' O ' ' A' ' 24' ' ' ILE . 3.9 mt -89.0 144.36 26.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.514 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -55.99 167.75 0.81 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -17.19 19.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' HB3' HD11 ' A' ' 63' ' ' ILE . 23.4 mtm180 -97.35 -26.77 14.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.422 HD22 HD13 ' A' ' 81' ' ' LEU . 6.4 tp -92.2 -45.2 8.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -39.95 -33.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.28 -41.45 9.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.401 ' CD2' HD12 ' A' ' 18' ' ' LEU . 11.9 tp -45.31 -57.51 3.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 mt -87.16 -34.56 19.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.55 -4.57 54.16 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.543 1.152 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.894 ' O ' HD12 ' A' ' 14' ' ' LEU . 33.6 mt -95.16 127.0 47.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.764 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -90.5 -57.55 2.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.638 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.423 ' O ' ' OE1' ' A' ' 27' ' ' GLN . 45.3 m -130.74 126.54 36.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.403 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.824 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -160.07 171.67 18.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.511 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 72.9 p -67.9 -174.31 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.662 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 6.9 ttp-105 -83.71 -42.1 0.79 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.95 -4.77 15.9 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.492 1.785 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.824 HG11 ' CG ' ' A' ' 27' ' ' GLN . 11.8 t -100.61 -32.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.495 HG21 HD21 ' A' ' 82' ' ' LEU . 59.1 mt -82.13 -53.96 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.58 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 0.7 OUTLIER -44.23 -46.83 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' LEU . 61.2 mm-40 -65.59 -61.6 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.12 -30.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.24 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.615 HD21 ' CG2' ' A' ' 74' ' ' ILE . 7.4 tp -80.48 -52.39 7.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.58 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 92.5 m95 -52.2 -45.35 65.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 108.005 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -59.17 -14.62 11.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.575 ' CE1' ' CD2' ' A' ' 43' ' ' HIS . 5.2 t80 -86.11 -48.3 8.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.596 HG21 ' HE1' ' A' ' 71' ' ' PHE . 24.1 mt -67.77 -23.74 29.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.97 -49.77 10.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -72.13 -46.87 54.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.394 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.575 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 1.2 m80 -78.6 -0.26 29.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.612 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt 41.04 59.73 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.721 HD13 HD12 ' A' ' 60' ' ' LEU . 78.5 mt -84.58 0.52 49.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.453 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -51.95 128.48 24.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' O ' ' A' ' 50' ' ' GLU . 35.1 t70 -61.22 131.16 92.07 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -12.15 21.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.69 -56.12 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.607 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 47' ' ' ASP . 5.1 mm-40 -112.67 171.68 7.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.453 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 6.7 mmt180 -107.39 -11.88 15.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.608 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 6.7 pm0 -98.57 -22.38 16.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.608 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 64.2 m-85 -90.75 168.47 11.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.737 HG11 HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -147.63 123.58 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.478 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 4.9 mt -81.83 106.42 13.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 21.3 m -61.3 133.35 55.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 108.28 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 4.1 p-10 -73.69 166.54 23.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.22 -32.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.416 ' N ' ' C ' ' A' ' 57' ' ' ASP . 10.1 m-30 -70.83 -66.76 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.721 HD12 HD13 ' A' ' 45' ' ' LEU . 96.9 mt -57.23 -30.23 64.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -64.72 -18.63 65.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.36 -15.04 18.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.403 HD11 ' HB3' ' A' ' 17' ' ' ARG . 6.7 mt -101.74 -59.3 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.585 ' CE1' HD22 ' A' ' 60' ' ' LEU . 34.5 m-85 -76.4 -36.43 58.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 66.81 30.7 7.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.61 96.08 4.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.952 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 68' ' ' ARG . 11.5 pt20 -46.39 -45.29 17.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 16.6 ttt180 -145.2 122.32 11.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 110.25 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.644 ' SD ' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.91 167.99 20.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.599 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -85.37 140.78 30.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.598 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 2.3 m-85 -52.14 -31.88 33.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -12.88 61.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.097 . . . . 0.0 109.992 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -95.43 4.79 52.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.737 HD11 HG11 ' A' ' 54' ' ' VAL . 1.6 mm -76.07 -46.37 3.75 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.99 -11.43 21.49 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.469 1.773 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -92.12 -15.32 27.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.478 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -104.82 -14.92 15.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 78' ' ' LEU . 9.1 mt -67.66 -37.37 82.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -44.15 -32.18 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.594 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.55 -48.32 22.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.447 HD11 ' CE1' ' A' ' 64' ' ' PHE . 9.4 mt -68.36 -13.48 62.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.495 HD21 HG21 ' A' ' 32' ' ' ILE . 81.8 mt -101.56 119.94 39.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 62.1 mtm -120.48 160.88 42.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 113.56 3.82 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -100.16 157.65 16.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -91.19 129.52 37.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.815 HD21 HD13 ' A' ' 32' ' ' ILE . 6.3 mt -80.21 148.37 30.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -59.25 166.7 2.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -15.65 20.8 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.564 1.823 . . . . 0.0 111.028 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.26 -28.14 14.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.693 HD22 HD13 ' A' ' 81' ' ' LEU . 6.5 tp -92.06 -46.71 7.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.12 -30.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.45 ' N ' ' C ' ' A' ' 18' ' ' LEU . 1.3 mtt180 -94.53 -45.18 7.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.501 HD23 HD12 ' A' ' 18' ' ' LEU . 16.3 tp -40.54 -60.75 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.4 mt -85.39 -37.4 19.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.91 13.86 44.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.601 ' O ' HD12 ' A' ' 14' ' ' LEU . 11.0 mt -94.19 99.74 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -50.81 -62.94 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.599 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -157.12 119.8 3.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.375 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.721 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -138.59 -168.36 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.565 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 34.4 p -83.47 -166.96 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.565 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 11.4 ttp180 -83.54 -47.85 0.76 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.02 -5.39 16.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.721 HG11 ' CG ' ' A' ' 27' ' ' GLN . 48.1 t -99.79 -24.66 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.815 HD13 HD21 ' A' ' 14' ' ' LEU . 68.2 mt -94.78 -54.03 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.604 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.0 OUTLIER -42.45 -41.94 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' LEU . 45.1 mm-40 -66.04 -60.15 3.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.04 -29.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.596 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 5.7 tp -81.39 -52.28 7.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 90.0 m95 -52.49 -45.49 66.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -61.87 -12.72 19.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.5 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 4.7 t80 -87.98 -49.9 6.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.54 HG21 ' HE1' ' A' ' 71' ' ' PHE . 21.6 mt -68.11 -20.62 25.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.85 -47.85 10.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -74.31 -44.6 51.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 44' ' ' LYS . 1.5 m80 -80.43 2.9 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.618 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' HIS . 10.7 mmtt 39.27 60.09 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.73 HD13 HD12 ' A' ' 60' ' ' LEU . 90.7 mt -87.36 0.05 56.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.476 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.8 tt0 -52.04 128.37 24.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' O ' ' A' ' 50' ' ' GLU . 27.9 t70 -58.41 129.42 83.8 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -11.98 21.44 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.33 -54.35 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.618 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.2 mm-40 -113.89 -175.4 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.476 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 7.2 mmt180 -116.38 -15.29 10.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.627 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 4.5 pm0 -98.39 -21.32 16.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.627 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 52.9 m-85 -88.43 165.49 14.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.633 HG11 HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -146.5 124.99 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.483 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 3.6 mt -84.4 108.08 17.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 56.2 m -61.05 131.79 51.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 108.304 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.19 -178.84 2.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.52 -56.95 6.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.508 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 4.4 m-30 -53.4 -62.6 1.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.73 HD12 HD13 ' A' ' 45' ' ' LEU . 85.0 mt -50.69 -42.86 57.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -58.14 -16.9 15.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.19 -14.73 19.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.492 HG23 HD21 ' A' ' 81' ' ' LEU . 8.8 mt -102.95 -59.15 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.559 ' CE2' HD22 ' A' ' 60' ' ' LEU . 58.9 m-85 -83.15 -38.17 22.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 65.35 28.39 11.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 77.4 p -111.85 89.72 3.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -41.66 -44.78 3.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.483 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 28.8 ttt180 -149.37 121.25 8.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -140.51 169.05 18.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.617 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -87.91 143.43 27.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.597 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.5 m-85 -53.69 -28.87 36.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.9 t -74.8 -11.71 60.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -95.76 3.82 53.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.633 HD11 HG11 ' A' ' 54' ' ' VAL . 1.5 mm -75.95 -45.82 3.88 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.97 -11.12 21.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.769 . . . . 0.0 111.027 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -92.95 -13.66 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.31 -16.39 14.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.599 HD23 HD12 ' A' ' 81' ' ' LEU . 8.1 mt -67.58 -39.35 84.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -42.42 -35.29 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.604 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.44 -51.4 29.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.693 HD13 HD22 ' A' ' 18' ' ' LEU . 23.1 mt -65.43 -18.73 65.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 78' ' ' LEU . 86.9 mt -95.74 114.42 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 75.9 mtm -114.6 161.28 29.58 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 113.76 3.86 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 110.981 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 t -166.25 110.28 0.79 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 0.774 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.1 p -92.15 159.51 15.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.018 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.09 -174.39 0.11 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -167.07 103.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 0.787 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m 56.75 95.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.58 172.57 12.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -39.95 143.07 0.62 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.2 39.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.412 ' O ' ' HA ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.97 95.04 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.445 1.761 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.425 ' HG3' HG22 ' A' ' 28' ' ' THR . 2.7 mt-30 -107.36 139.42 41.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.487 ' CE1' ' HB2' ' A' ' 29' ' ' ARG . 23.4 m-85 -120.7 144.61 48.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' NZ ' ' HA ' ' A' ' 85' ' ' PRO . 3.8 ttpm? -80.05 130.36 35.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.03 HD21 HD13 ' A' ' 32' ' ' ILE . 6.4 mt -84.64 145.83 27.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -55.02 167.66 0.62 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -16.9 20.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.572 1.827 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.95 -27.5 14.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.61 HD22 HD13 ' A' ' 81' ' ' LEU . 7.3 tp -91.65 -46.59 7.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.83 -30.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.429 ' N ' ' C ' ' A' ' 18' ' ' LEU . 27.6 mtt85 -95.57 -44.61 7.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.49 HD22 ' CD1' ' A' ' 63' ' ' ILE . 13.9 tp -41.25 -59.26 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 mt -87.43 -35.23 18.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.79 12.67 52.59 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.472 ' O ' HD12 ' A' ' 14' ' ' LEU . 19.5 mt -91.59 99.22 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -50.37 -62.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.582 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 m -157.36 114.67 3.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.42 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.531 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -135.26 -173.0 3.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.575 ' OG1' HG23 ' A' ' 31' ' ' VAL . 24.6 p -79.33 -177.48 5.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.418 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.609 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 2.8 ttt180 -78.42 -44.89 2.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.91 -6.2 17.79 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.575 HG23 ' OG1' ' A' ' 28' ' ' THR . 43.8 t -99.55 -31.54 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.03 HD13 HD21 ' A' ' 14' ' ' LEU . 63.4 mt -84.6 -53.35 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.446 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.7 tt -41.43 -43.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.356 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 37' ' ' TRP . 16.3 mm-40 -65.3 -62.51 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.47 -29.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 5.9 tp -80.75 -51.08 9.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.446 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 69.0 m95 -52.55 -43.98 65.53 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -60.93 -13.63 17.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.513 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 5.3 t80 -86.11 -47.3 9.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.502 HG21 ' HE1' ' A' ' 71' ' ' PHE . 47.8 mt -68.05 -23.63 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.91 -49.61 9.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.9 m -71.17 -43.88 66.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.419 1.074 . . . . 0.0 110.392 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.483 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 2.0 m80 -83.31 0.73 44.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.599 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 43' ' ' HIS . 8.7 mttt 39.66 58.09 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.759 HD13 HD12 ' A' ' 60' ' ' LEU . 89.7 mt -82.6 1.57 37.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.468 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.2 tt0 -52.01 127.83 22.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' A' ' 50' ' ' GLU . 31.1 t70 -57.92 129.88 82.35 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -11.34 21.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.786 . . . . 0.0 111.043 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.01 -55.08 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.631 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' A' ' 47' ' ' ASP . 5.2 mm-40 -111.02 175.23 5.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.468 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 31.2 mtt180 -112.19 -5.05 14.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.606 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 4.1 pm0 -107.48 -20.91 13.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.606 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 62.0 m-85 -90.63 167.69 12.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.654 ' CG1' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -146.55 121.46 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.475 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 3.7 mt -80.97 113.38 19.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 18.3 m -63.9 133.38 53.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 108.358 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.96 179.77 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -48.27 -51.44 25.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.524 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 3.8 m-30 -59.64 -60.14 4.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.759 HD12 HD13 ' A' ' 45' ' ' LEU . 54.0 mt -51.84 -42.79 62.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -58.03 -17.74 19.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -99.2 -14.41 19.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.49 ' CD1' HD22 ' A' ' 21' ' ' LEU . 10.8 mt -102.54 -57.81 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.592 ' CE2' HD22 ' A' ' 60' ' ' LEU . 46.7 m-85 -79.61 -39.59 31.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 111.042 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 68.63 31.12 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.65 95.59 4.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -43.45 -46.97 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.475 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 14.9 ttt180 -142.69 124.57 15.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -139.2 166.34 24.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.584 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -86.48 144.18 27.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 3.8 m-85 -53.52 -28.75 32.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.403 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 9.2 t -79.4 -11.12 59.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.016 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -96.18 1.39 52.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.24 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.654 HD11 ' CG1' ' A' ' 54' ' ' VAL . 2.3 mm -74.8 -45.29 5.21 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.99 -11.7 21.5 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -87.81 -16.69 33.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.2 -16.82 14.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.574 HD23 HD12 ' A' ' 81' ' ' LEU . 9.3 mt -65.51 -43.47 89.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -41.56 -36.21 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.57 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.05 -50.84 37.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.61 HD13 HD22 ' A' ' 18' ' ' LEU . 23.4 mt -64.33 -26.39 68.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 78' ' ' LEU . 80.4 mt -88.12 121.36 30.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 55.1 mtm -123.05 158.51 57.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 113.65 3.84 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.46 1.768 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -75.0 55.23 3.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.779 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -151.73 155.68 34.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.253 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.458 1.768 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.6 p -171.57 -40.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -173.36 158.57 28.12 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 157.48 42.49 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.6 t 65.03 98.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.58 152.81 40.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.954 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.64 ' N ' HH21 ' A' ' 29' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.63 157.2 24.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.753 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.95 104.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.983 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.68 146.84 4.9 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 42.3 89.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 0.799 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.95 -56.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.94 145.2 7.2 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 39.69 86.69 0.13 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.342 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 171.97 17.29 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.44 1.758 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.6 ' O ' HG22 ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.0 134.68 18.11 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.569 1.826 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -138.14 120.69 16.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.437 ' HB2' HD22 ' A' ' 82' ' ' LEU . 37.1 m-85 -109.05 149.63 28.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -81.83 137.13 35.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.973 HD21 HD13 ' A' ' 32' ' ' ILE . 4.6 mt -88.3 145.37 25.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.49 166.95 1.46 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -16.32 20.27 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -97.29 -27.26 14.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.639 HD22 HD13 ' A' ' 81' ' ' LEU . 7.3 tp -92.34 -46.63 7.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.28 -29.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.442 ' N ' ' C ' ' A' ' 18' ' ' LEU . 16.9 mtt-85 -94.98 -48.22 6.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.2 tp -40.32 -60.51 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.9 mt -82.76 -38.36 23.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.39 6.51 56.56 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.615 ' O ' HD12 ' A' ' 14' ' ' LEU . 9.2 mt -88.68 109.49 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.767 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -63.19 -61.35 2.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.565 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 m -154.6 115.22 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.427 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.727 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -136.85 -166.97 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 10' ' ' PRO . 34.3 p -84.77 -167.08 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.424 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.64 HH21 ' N ' ' A' ' 1' ' ' GLY . 12.0 ttp85 -82.88 -47.73 0.83 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.02 -4.77 15.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.534 1.807 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.727 HG11 ' CG ' ' A' ' 27' ' ' GLN . 51.0 t -100.5 -27.45 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.973 HD13 HD21 ' A' ' 14' ' ' LEU . 86.0 mt -91.0 -44.23 14.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' A' ' 75' ' ' PRO . 2.4 tt -54.88 -41.82 59.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.415 ' C ' ' N ' ' A' ' 36' ' ' LEU . 91.0 mm-40 -64.48 -57.91 7.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.79 -26.27 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.738 HD21 ' CG2' ' A' ' 74' ' ' ILE . 6.1 tp -84.26 -49.55 8.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.432 ' HZ3' ' CD1' ' A' ' 71' ' ' PHE . 72.3 m95 -54.4 -44.29 72.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 108.021 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -62.17 -12.79 21.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 5.4 t80 -86.96 -47.63 8.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.536 HG21 ' HE1' ' A' ' 71' ' ' PHE . 37.6 mt -69.01 -21.94 25.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -84.1 -47.98 10.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.3 m -73.25 -41.91 63.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.441 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 44' ' ' LYS . 1.9 m80 -85.05 1.52 47.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.583 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 43' ' ' HIS . 11.7 mmtt 38.85 60.06 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.699 HD13 HD12 ' A' ' 60' ' ' LEU . 82.9 mt -84.64 1.5 45.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.47 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -51.88 129.01 25.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' A' ' 50' ' ' GLU . 30.2 t70 -59.28 129.6 86.65 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -12.62 21.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.545 1.813 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.98 -53.88 4.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.59 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 47' ' ' ASP . 6.0 mm-40 -110.35 -175.58 2.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.1 -13.82 9.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.596 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 7.0 pm0 -100.95 -21.44 15.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.587 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 45.5 m-85 -86.35 166.46 15.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.642 HG11 HD11 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -146.26 119.2 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.525 HD21 ' HG3' ' A' ' 68' ' ' ARG . 11.7 mt -79.55 105.54 10.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 36.0 m -56.61 137.55 53.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 108.235 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.08 179.4 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -56.52 -33.84 66.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.421 ' N ' ' HG2' ' A' ' 58' ' ' LYS . 14.0 m-85 -73.25 -52.67 13.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.699 HD12 HD13 ' A' ' 45' ' ' LEU . 91.8 mt -62.22 -39.63 93.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -56.63 -19.62 17.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -99.3 -13.53 19.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.483 HG23 ' CD2' ' A' ' 81' ' ' LEU . 12.9 mt -101.65 -59.9 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.548 ' CE1' HD22 ' A' ' 60' ' ' LEU . 33.6 m-85 -76.03 -37.73 58.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 69.48 30.16 4.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.453 ' OG ' ' NH1' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -126.77 93.55 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -41.45 -48.91 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.525 ' HG3' HD21 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -141.64 122.95 14.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.54 ' HE2' HD13 ' A' ' 74' ' ' ILE . 1.2 ptm -138.1 162.7 33.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.585 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -82.56 144.58 30.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 3.7 m-85 -53.45 -25.99 18.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.0 -12.1 60.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -96.44 2.97 53.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.738 ' CG2' HD21 ' A' ' 36' ' ' LEU . 2.9 mm -76.19 -45.33 3.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.98 -12.21 21.55 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -93.31 -15.4 25.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.509 ' HB3' ' CD2' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -103.38 -12.72 17.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.497 ' HA ' HD23 ' A' ' 78' ' ' LEU . 9.0 mt -70.46 -37.14 74.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -45.34 -33.12 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.674 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.47 -47.3 49.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.639 HD13 HD22 ' A' ' 18' ' ' LEU . 12.2 mt -71.86 -13.46 61.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.437 HD22 ' HB2' ' A' ' 12' ' ' PHE . 86.0 mt -99.84 117.12 33.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 59.6 mtm -118.11 158.7 45.57 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 115.73 4.38 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.447 1.761 . . . . 0.0 111.018 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 54.97 3.8 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.436 1.756 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -147.81 156.0 44.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -42.05 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.545 1.813 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.35 93.06 4.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.049 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -93.05 158.46 23.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -52.64 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 t -101.87 97.75 8.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.9 t 56.36 104.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.45 1.094 . . . . 0.0 110.971 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.4 88.37 7.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.798 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -164.53 138.49 5.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.2 -147.64 9.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t 62.64 116.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 0.73 . . . . 0.0 110.014 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.7 143.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.004 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.29 -112.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -54.11 145.01 36.51 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 154.96 43.0 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.976 ' O ' HG22 ' A' ' 28' ' ' THR . 18.1 Cg_endo -75.02 171.32 18.56 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.523 1.801 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -164.28 118.1 1.41 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -104.74 150.82 24.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -82.46 130.75 35.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.977 HD21 HD13 ' A' ' 32' ' ' ILE . 5.4 mt -82.1 146.0 29.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.509 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.52 166.84 1.52 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.0 20.43 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -97.32 -27.53 14.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 21' ' ' LEU . 7.2 tp -92.14 -47.2 7.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -42.43 -30.1 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -95.36 -33.92 12.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.082 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' LEU . 12.7 tp -53.37 -61.08 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.7 mt -84.69 -29.62 25.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.66 9.23 63.04 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 111.029 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.515 ' O ' HD12 ' A' ' 14' ' ' LEU . 5.8 mt -88.71 107.05 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -58.76 -62.73 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.581 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 m -156.55 110.97 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.668 ' CG ' HG11 ' A' ' 31' ' ' VAL . 1.2 mp0 -129.63 -167.59 1.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.976 HG22 ' O ' ' A' ' 10' ' ' PRO . 33.5 p -84.18 -167.14 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.569 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.5 ttp-105 -82.73 -47.65 0.86 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.98 -4.68 15.77 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.668 HG11 ' CG ' ' A' ' 27' ' ' GLN . 46.7 t -100.34 -29.37 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.977 HD13 HD21 ' A' ' 14' ' ' LEU . 83.5 mt -88.56 -45.21 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.48 HD11 ' HB3' ' A' ' 75' ' ' PRO . 1.8 tt -53.94 -42.65 54.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.427 ' C ' ' N ' ' A' ' 36' ' ' LEU . 42.9 mm-40 -64.72 -61.53 2.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.356 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -41.82 -28.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.527 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.9 tp -81.48 -50.38 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 75.3 m95 -52.93 -46.19 68.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 107.997 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -59.57 -14.91 15.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.57 ' CE1' ' CD2' ' A' ' 43' ' ' HIS . 4.8 t80 -85.54 -47.54 9.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.641 HG23 ' HB2' ' A' ' 45' ' ' LEU . 56.5 mt -66.18 -23.55 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -84.4 -51.39 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.5 m -68.82 -42.43 77.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.57 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 2.1 m80 -85.14 2.3 44.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.588 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt 42.57 58.41 3.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.834 HD13 HD12 ' A' ' 60' ' ' LEU . 75.3 mt -80.84 -5.05 56.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.466 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -51.78 124.02 11.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.302 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 50' ' ' GLU . 32.9 t70 -56.26 130.68 75.18 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -12.74 21.48 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.761 . . . . 0.0 110.978 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.98 -54.49 4.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.585 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.0 mm-40 -109.26 -176.74 3.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.466 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 4.3 mmt-85 -118.97 -10.61 9.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.614 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 3.9 pm0 -103.59 -20.73 13.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.614 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 53.6 m-85 -88.65 168.23 12.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.681 HG11 HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -147.29 120.1 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.453 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 5.2 mt -81.8 105.54 13.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.0 m -57.45 132.82 54.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 108.316 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -68.11 178.67 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -49.23 -48.47 45.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.494 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 4.8 m-30 -60.05 -60.46 3.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.834 HD12 HD13 ' A' ' 45' ' ' LEU . 93.8 mt -53.24 -42.18 66.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -56.48 -18.56 11.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -99.3 -14.75 19.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.457 HG23 HD22 ' A' ' 81' ' ' LEU . 13.5 mt -101.68 -59.83 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.56 ' CE2' HD22 ' A' ' 60' ' ' LEU . 36.9 m-85 -75.39 -37.4 60.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 68.9 28.88 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.56 98.49 5.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -47.26 -44.65 23.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.453 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 29.3 ttp180 -142.32 123.86 14.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.261 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.567 ' CE ' HD13 ' A' ' 74' ' ' ILE . 2.3 ptm -138.99 165.38 27.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.576 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -86.25 143.84 27.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.611 ' HE1' HG21 ' A' ' 40' ' ' ILE . 3.9 m-85 -54.25 -29.01 45.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.7 t -77.39 -11.88 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -96.28 2.76 53.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.681 HD11 HG11 ' A' ' 54' ' ' VAL . 2.4 mm -75.66 -45.48 4.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.02 -11.57 21.45 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.461 1.769 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -93.16 -16.0 25.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.01 -18.13 15.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.548 HD23 HD12 ' A' ' 81' ' ' LEU . 8.2 mt -65.77 -39.81 91.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -43.17 -33.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.607 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.77 -47.59 37.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.548 HD12 HD23 ' A' ' 78' ' ' LEU . 14.4 mt -68.71 -16.9 63.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' LEU . 61.1 mt -96.1 124.15 39.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.441 ' CE ' ' HA ' ' A' ' 15' ' ' ASP . 40.7 mtm -120.59 158.55 51.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 113.41 3.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.95 3.8 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.772 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -136.86 156.85 75.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -49.72 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.78 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.9 t 67.74 102.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -56.65 162.74 6.59 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 64.03 6.0 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 m -87.62 96.07 10.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.4 t -63.68 160.54 16.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.578 1.174 . . . . 0.0 111.038 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.54 -58.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 0.77 . . . . 0.0 110.042 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.9 t -52.65 134.01 36.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.03 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.91 -164.55 36.62 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -139.56 155.35 47.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 110.039 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.6 p -98.84 155.71 17.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.96 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.44 -138.29 48.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.78 121.27 2.28 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.52 0.776 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 170.69 19.86 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 171.15 18.88 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 27' ' ' GLN . 11.1 mt-30 -164.18 110.27 1.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -102.08 151.13 22.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' O ' ' SD ' ' A' ' 83' ' ' MET . 2.7 ttpp -86.22 125.32 33.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.745 HD21 HD13 ' A' ' 32' ' ' ILE . 5.0 mt -76.3 145.2 39.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.508 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -54.99 167.24 0.66 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.93 19.87 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.535 1.808 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -97.51 -27.06 14.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.527 HD22 HD13 ' A' ' 81' ' ' LEU . 6.7 tp -91.77 -45.65 8.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -39.37 -32.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' N ' ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -93.43 -47.87 6.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.5 tp -40.1 -60.51 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.8 mt -84.27 -38.65 20.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.66 7.88 58.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.555 1.159 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.633 ' O ' HD12 ' A' ' 14' ' ' LEU . 12.8 mt -89.6 96.52 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -50.82 -62.0 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.578 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 84.9 m -152.28 124.48 8.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.704 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -146.99 -171.19 3.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.563 ' OG1' HG23 ' A' ' 31' ' ' VAL . 32.0 p -81.14 -176.72 6.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.419 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.612 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.5 ttt180 -78.75 -44.48 1.9 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.99 -6.54 18.19 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.704 HG11 ' CG ' ' A' ' 27' ' ' GLN . 37.6 t -97.84 -36.85 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.745 HD13 HD21 ' A' ' 14' ' ' LEU . 53.1 mt -78.15 -50.31 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.593 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.4 tt -48.14 -40.24 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.424 ' C ' ' N ' ' A' ' 36' ' ' LEU . 3.3 mm100 -67.11 -61.03 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.02 -27.83 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.517 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.8 tp -82.67 -49.13 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.593 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 76.5 m95 -53.55 -44.3 69.14 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -12.67 24.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.507 ' CE1' ' CD2' ' A' ' 43' ' ' HIS . 5.2 t80 -86.52 -47.82 8.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.04 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.487 HG21 ' HE1' ' A' ' 71' ' ' PHE . 22.7 mt -68.26 -22.15 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.26 -48.6 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -72.17 -42.3 66.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.507 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 1.4 m80 -84.59 3.41 36.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 38.86 59.11 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.693 HD13 HD12 ' A' ' 60' ' ' LEU . 83.7 mt -84.71 -0.97 55.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.461 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.3 tt0 -51.57 126.95 18.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 50' ' ' GLU . 27.3 t70 -58.56 128.47 83.33 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -11.47 21.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.5 -52.92 5.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 109.59 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.463 ' O ' ' O ' ' A' ' 47' ' ' ASP . 5.7 mm-40 -112.7 -176.0 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.461 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.34 -12.77 9.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.608 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 4.8 pm0 -101.26 -21.73 14.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.608 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 57.7 m-85 -88.01 167.21 13.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.615 HG11 HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -147.28 121.98 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.475 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 2.1 mt -81.94 110.05 16.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.3 m -59.6 141.13 55.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 108.294 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.77 176.53 6.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.552 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -51.89 -37.61 52.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.552 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 10.6 m-85 -71.53 -54.9 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.693 HD12 HD13 ' A' ' 45' ' ' LEU . 88.8 mt -58.69 -41.22 85.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -56.83 -18.27 12.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -99.54 -13.71 19.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 110.226 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.4 mt -101.94 -57.61 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.585 ' CE2' HD22 ' A' ' 60' ' ' LEU . 42.5 m-85 -79.03 -39.05 35.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 70.22 30.25 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.4 95.75 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -46.61 -44.26 18.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.475 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 14.9 ttt180 -144.9 123.16 12.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -139.67 166.42 24.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.6 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -86.63 142.93 27.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.545 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.4 m-85 -52.27 -31.91 34.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.403 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -74.34 -11.69 60.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -95.98 2.13 53.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.3 mm -75.53 -45.35 4.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.07 -11.2 21.35 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -93.0 -15.48 26.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.49 -15.97 14.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 78' ' ' LEU . 7.7 mt -67.65 -37.44 82.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -46.44 -29.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.581 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.44 -46.73 30.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.527 HD13 HD22 ' A' ' 18' ' ' LEU . 16.1 mt -70.76 -20.45 62.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.416 HD21 HG21 ' A' ' 32' ' ' ILE . 77.5 mt -94.23 113.76 25.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -112.65 157.48 40.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 111.011 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.5 3.81 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.542 1.812 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 54.73 3.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -147.38 154.28 45.21 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t 50.21 81.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -122.93 169.87 15.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 88.24 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.474 1.776 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 t -135.81 -59.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.11 94.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -164.84 -58.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 110.023 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 p -161.21 132.45 5.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.986 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.83 -150.24 5.19 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.443 1.089 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 m 51.11 98.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.982 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.61 148.05 6.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.46 -59.03 6.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -113.32 112.93 48.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 158.87 41.93 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.507 ' O ' HG22 ' A' ' 28' ' ' THR . 18.2 Cg_endo -74.99 171.03 19.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.526 1.803 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -165.93 109.37 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -103.92 152.54 21.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -83.01 127.24 33.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.0 HD21 HD13 ' A' ' 32' ' ' ILE . 4.9 mt -80.39 145.65 31.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.24 166.88 1.36 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -15.05 20.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.2 mtm-85 -97.52 -28.22 14.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.442 ' C ' ' N ' ' A' ' 20' ' ' ARG . 6.4 tp -91.92 -47.92 7.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.38 -29.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.442 ' N ' ' C ' ' A' ' 18' ' ' LEU . 1.2 ptt180 -95.82 -41.62 8.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 14.6 tp -45.57 -59.66 2.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.5 mt -87.4 -34.02 18.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.59 12.88 55.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.549 ' O ' HD12 ' A' ' 14' ' ' LEU . 11.3 mt -90.42 102.39 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -58.07 -59.27 5.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.589 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 54.4 m -156.01 114.85 3.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.461 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 0.7 OUTLIER -138.14 -176.06 4.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.6 ' OG1' HG23 ' A' ' 31' ' ' VAL . 16.3 p -74.74 179.39 4.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.627 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 23.2 ttp180 -78.07 -43.97 2.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.99 -6.01 17.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.6 HG23 ' OG1' ' A' ' 28' ' ' THR . 41.3 t -99.17 -37.04 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.0 HD13 HD21 ' A' ' 14' ' ' LEU . 58.2 mt -76.78 -49.18 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.571 HG13 HD12 ' A' ' 78' ' ' LEU . 1.4 tt -48.37 -39.92 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.411 ' C ' ' N ' ' A' ' 36' ' ' LEU . 1.6 mm100 -65.67 -58.9 4.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.02 -27.95 0.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.589 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 5.9 tp -82.97 -49.59 9.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.566 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 88.7 m95 -53.82 -48.13 70.19 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -59.01 -15.79 14.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.271 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.487 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 5.1 t80 -84.04 -48.09 10.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.615 HG21 ' HE1' ' A' ' 71' ' ' PHE . 24.0 mt -67.25 -27.91 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -53.17 7.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.5 m -66.24 -44.92 82.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.378 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' LYS . 1.5 m80 -84.07 1.85 42.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.555 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 43' ' ' HIS . 49.9 mttt 39.65 58.97 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.718 HD13 HD12 ' A' ' 60' ' ' LEU . 86.9 mt -82.0 0.34 40.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.466 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.1 tt0 -52.23 125.61 16.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.438 ' O ' ' O ' ' A' ' 50' ' ' GLU . 31.0 t70 -54.67 130.54 64.46 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -12.17 21.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.35 -53.08 5.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.628 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 47' ' ' ASP . 3.9 mm-40 -111.45 -173.07 2.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.466 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 10.0 mmt180 -120.23 -12.35 9.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.598 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 3.4 pm0 -102.16 -21.05 14.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.598 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 52.1 m-85 -86.97 164.4 16.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.753 HG11 HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -143.04 118.71 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.522 HD21 ' HG3' ' A' ' 68' ' ' ARG . 12.7 mt -79.12 98.5 6.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 12.4 m -54.84 135.33 47.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 108.241 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.545 ' OD2' ' CG ' ' A' ' 59' ' ' TYR . 5.0 p-10 -73.07 -178.92 3.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -50.31 -48.94 54.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.545 ' CG ' ' OD2' ' A' ' 57' ' ' ASP . 7.3 m-30 -58.11 -62.12 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.718 HD12 HD13 ' A' ' 45' ' ' LEU . 93.2 mt -54.07 -42.0 68.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -56.76 -19.75 18.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -98.83 -14.53 19.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.4 mt -102.0 -62.49 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.556 ' CE2' HD22 ' A' ' 60' ' ' LEU . 34.5 m-85 -73.03 -35.16 66.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 66.29 30.07 9.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.67 96.2 4.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -44.95 -46.17 10.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.247 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.522 ' HG3' HD21 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -146.3 121.95 10.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.275 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.498 ' CE ' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.73 167.61 21.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -85.98 143.8 27.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.615 ' HE1' HG21 ' A' ' 40' ' ' ILE . 4.7 m-85 -53.04 -25.39 12.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.9 t -78.02 -12.05 59.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -96.08 3.04 53.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.753 HD11 HG11 ' A' ' 54' ' ' VAL . 1.9 mm -74.83 -45.42 5.14 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.95 -12.05 21.6 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -93.3 -14.89 26.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.452 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -105.1 -13.17 15.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.571 HD12 HG13 ' A' ' 33' ' ' ILE . 8.5 mt -70.5 -41.03 73.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -40.54 -36.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.63 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.05 -49.11 48.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.495 HD12 HD23 ' A' ' 78' ' ' LEU . 8.3 mt -66.81 -19.87 65.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' LEU . 42.3 mt -98.05 118.19 34.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 61.9 mtm -116.57 158.77 42.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 113.41 3.79 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.78 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 169.37 22.77 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.502 1.791 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -127.18 156.2 74.98 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -37.18 2.17 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.89 -34.16 68.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.08 155.43 52.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 65.3 6.08 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.83 -61.15 2.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.971 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.3 t -109.74 -56.84 2.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.542 1.151 . . . . 0.0 111.035 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.9 p -109.6 167.15 10.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.955 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.73 84.98 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.34 71.47 2.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 p -124.45 158.98 31.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.974 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -129.86 80.87 1.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.011 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.33 -79.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.44 144.42 28.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 164.58 33.1 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.552 ' O ' HG22 ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.03 143.77 29.36 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 27' ' ' GLN . 3.7 mt-30 -148.65 106.56 3.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -104.25 147.63 27.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -80.06 144.97 32.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.558 HD12 ' O ' ' A' ' 24' ' ' ILE . 3.2 mt -96.48 138.94 33.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -53.83 164.96 0.82 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -14.37 21.09 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.528 1.804 . . . . 0.0 110.971 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mtm-85 -97.62 -28.29 14.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.854 HD22 HD13 ' A' ' 81' ' ' LEU . 9.2 tp -92.27 -45.88 8.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -47.97 -29.54 3.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -91.36 -26.01 19.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 18' ' ' LEU . 12.4 tp -66.73 -58.77 4.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.3 mt -82.08 -40.06 22.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.88 12.26 28.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.525 1.14 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.558 ' O ' HD12 ' A' ' 14' ' ' LEU . 18.8 mt -106.86 128.53 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.47 ' H ' ' CD2' ' A' ' 25' ' ' HIS . 5.4 p80 -86.53 -65.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.608 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.421 ' O ' ' CD ' ' A' ' 27' ' ' GLN . 3.2 m -133.4 117.2 16.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.379 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.726 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -144.94 -174.71 4.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.709 ' O ' HD12 ' A' ' 32' ' ' ILE . 46.4 p -80.93 -175.37 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.373 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.607 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.3 tpp85 -78.28 -45.58 2.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.97 -5.85 17.33 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.726 HG11 ' CG ' ' A' ' 27' ' ' GLN . 40.6 t -99.24 -24.62 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.709 HD12 ' O ' ' A' ' 28' ' ' THR . 26.0 mt -94.4 -52.89 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.6 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.2 tt -45.82 -42.75 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 37' ' ' TRP . 34.2 mm-40 -68.61 -61.12 1.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -41.64 -28.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 5.6 tp -82.97 -48.92 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.6 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 71.8 m95 -52.79 -51.9 58.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.02 -19.74 2.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.281 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.608 ' CE1' ' CD2' ' A' ' 43' ' ' HIS . 4.8 t80 -80.25 -47.37 14.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.522 HG23 ' HB2' ' A' ' 45' ' ' LEU . 72.6 mt -62.92 -28.03 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' O ' ' CE ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -81.95 -55.5 4.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.6 m -62.63 -39.89 95.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.608 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 1.7 m80 -90.24 4.77 49.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.632 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.41 ' CE ' ' O ' ' A' ' 41' ' ' LYS . 3.0 mmpt? 39.59 59.39 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.712 HD13 HD12 ' A' ' 60' ' ' LEU . 93.0 mt -81.29 -4.84 56.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.9 OUTLIER -51.69 123.76 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' A' ' 50' ' ' GLU . 33.3 t70 -57.92 130.5 82.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -11.68 21.6 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.459 1.768 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.12 -55.38 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.575 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' A' ' 47' ' ' ASP . 7.6 mm-40 -111.31 173.99 6.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 25.5 mtt180 -112.14 -2.83 14.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.621 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 1.7 pm0 -108.15 -21.73 12.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.621 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 72.7 m-85 -92.47 167.81 11.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.724 ' CG1' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -145.51 122.12 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.478 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 3.4 mt -80.31 107.39 13.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 12.6 m -55.76 141.21 39.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.312 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.98 177.49 7.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.411 ' HE3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -54.24 -31.85 54.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.411 ' CE1' ' HE3' ' A' ' 58' ' ' LYS . 12.1 m-85 -76.01 -52.84 9.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.712 HD12 HD13 ' A' ' 45' ' ' LEU . 93.7 mt -62.6 -39.22 93.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -56.84 -19.44 17.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -99.29 -13.77 19.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.552 HG23 HD21 ' A' ' 81' ' ' LEU . 12.5 mt -101.98 -59.37 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.63 ' CE2' HD22 ' A' ' 60' ' ' LEU . 45.0 m-85 -77.15 -37.92 52.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 68.23 30.6 5.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.83 97.09 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -45.83 -45.75 15.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 10.2 ttt180 -142.77 124.37 14.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.2 ptm -139.31 166.31 24.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.584 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -84.43 141.67 30.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.544 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 3.4 m-85 -51.55 -35.95 43.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -11.37 60.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.049 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -96.15 3.35 53.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.724 HD11 ' CG1' ' A' ' 54' ' ' VAL . 2.4 mm -76.62 -45.35 3.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.98 -11.65 21.52 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.789 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -88.17 -14.75 37.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.418 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -106.62 -15.85 14.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.35 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.531 HD23 HD12 ' A' ' 81' ' ' LEU . 8.8 mt -65.64 -39.72 91.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -42.59 -32.06 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.088 . . . . 0.0 109.575 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.88 -47.96 27.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.854 HD13 HD22 ' A' ' 18' ' ' LEU . 15.0 mt -72.59 -9.51 58.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.52 HD21 HG21 ' A' ' 32' ' ' ILE . 91.6 mt -104.36 112.05 24.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 55.1 mtm -115.78 158.68 41.47 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 117.91 5.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 54.95 3.8 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.526 1.803 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -123.83 156.29 65.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -35.67 2.99 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.78 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.05 -45.58 21.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.05 164.4 39.44 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -44.99 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 111.046 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.1 p -168.92 -57.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.4 t -96.52 -64.86 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -92.28 -57.52 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.978 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t 61.87 125.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.975 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.42 52.98 0.61 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.558 1.161 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.94 144.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 109.984 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.9 p -90.03 165.17 14.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.08 -144.76 23.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -44.89 150.65 0.7 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.513 0.773 . . . . 0.0 110.288 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 157.3 42.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.711 ' O ' HG22 ' A' ' 28' ' ' THR . 18.4 Cg_endo -74.98 163.18 35.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -162.19 111.46 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 110.303 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -103.84 154.16 19.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -84.65 133.0 34.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.007 HD21 HD13 ' A' ' 32' ' ' ILE . 5.2 mt -86.9 144.78 26.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -54.86 167.47 0.62 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -16.69 20.09 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.491 1.785 . . . . 0.0 110.961 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -96.93 -27.14 14.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.28 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.543 HD22 HD13 ' A' ' 81' ' ' LEU . 7.0 tp -92.35 -47.31 7.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.6 -30.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.43 ' N ' ' C ' ' A' ' 18' ' ' LEU . 5.3 ptm180 -94.78 -41.54 9.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.2 tp -45.72 -59.97 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.0 mt -85.27 -31.88 22.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.08 8.02 63.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.438 ' O ' HD12 ' A' ' 14' ' ' LEU . 9.8 mt -88.05 102.41 12.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -54.85 -61.21 2.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.579 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 m -157.71 113.35 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.374 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.529 ' HG2' HG11 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -133.93 -175.56 3.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 10' ' ' PRO . 17.8 p -75.11 -177.45 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.429 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.595 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 13.9 ttp85 -78.04 -45.9 2.26 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.98 -5.64 17.05 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.584 HG23 ' OG1' ' A' ' 28' ' ' THR . 39.7 t -98.57 -32.81 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.007 HD13 HD21 ' A' ' 14' ' ' LEU . 67.8 mt -83.38 -54.18 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.552 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.5 tt -40.77 -41.32 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 37' ' ' TRP . 2.6 mm-40 -67.91 -60.84 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.29 -29.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.507 HD21 ' CG2' ' A' ' 74' ' ' ILE . 6.0 tp -81.26 -50.53 9.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.552 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 78.8 m95 -53.51 -43.82 68.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 107.995 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -62.35 -12.64 22.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.487 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 5.7 t80 -86.95 -47.77 8.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.516 ' CD1' HG21 ' A' ' 54' ' ' VAL . 29.1 mt -69.01 -21.37 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -84.62 -47.47 10.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -74.04 -44.36 54.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.429 ' NE2' ' CZ ' ' A' ' 39' ' ' TYR . 2.2 m80 -80.98 1.05 32.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.59 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.67 58.82 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.755 HD13 HD12 ' A' ' 60' ' ' LEU . 90.0 mt -86.51 3.02 45.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.2 tt0 -51.42 127.17 19.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.472 ' OD1' ' CG ' ' A' ' 49' ' ' HIS . 61.6 t0 -59.92 125.43 80.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.436 ' HD2' ' OD1' ' A' ' 47' ' ' ASP . 18.4 Cg_endo -74.99 -7.03 18.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.038 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.472 ' CG ' ' OD1' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -91.57 -49.66 6.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.574 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.2 mm-40 -123.76 168.3 12.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.448 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -102.54 -10.73 19.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.608 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -99.17 -21.79 15.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.608 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 66.0 m-85 -93.24 166.98 12.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.61 ' CG1' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -147.88 123.86 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.443 HD21 ' HG3' ' A' ' 68' ' ' ARG . 5.6 mt -79.49 114.21 18.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 18.5 m -64.12 135.93 56.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 108.283 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.56 177.34 2.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.53 ' HE2' ' CZ ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -52.63 -35.05 53.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.097 . . . . 0.0 109.348 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.53 ' CZ ' ' HE2' ' A' ' 58' ' ' LYS . 30.7 m-85 -76.89 -49.94 14.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.755 HD12 HD13 ' A' ' 45' ' ' LEU . 94.5 mt -61.26 -35.91 78.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -64.1 -20.7 66.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -99.21 -13.02 19.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.455 HG23 HD22 ' A' ' 81' ' ' LEU . 20.8 mt -101.53 -57.93 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.557 ' CE2' HD22 ' A' ' 60' ' ' LEU . 38.2 m-85 -78.05 -37.9 45.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 70.28 30.74 3.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.05 96.68 4.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -44.36 -46.54 9.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.538 ' CZ ' ' CE2' ' A' ' 53' ' ' PHE . 7.2 ttp180 -143.26 123.28 13.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.485 ' CE ' HD13 ' A' ' 74' ' ' ILE . 1.8 ptm -138.09 160.69 38.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.581 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -77.94 141.27 39.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.589 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 2.5 m-85 -52.26 -29.8 24.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.403 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 9.3 t -76.68 -11.21 59.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -95.96 1.05 52.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.0 mm -74.26 -45.48 6.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -75.01 -11.61 21.46 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.444 1.76 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -92.69 -15.28 26.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.425 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -104.42 -15.6 15.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.32 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.532 HD23 HD12 ' A' ' 81' ' ' LEU . 8.5 mt -67.72 -40.97 84.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -41.6 -35.27 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.561 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.24 -50.84 28.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.543 HD13 HD22 ' A' ' 18' ' ' LEU . 19.5 mt -64.84 -21.41 66.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.6 mt -92.73 122.58 35.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 71.1 mtm -120.59 160.2 45.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 116.23 4.53 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.791 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 54.88 3.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -100.98 156.3 35.29 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.6 m 58.53 75.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.049 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -82.47 136.23 15.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 63.39 5.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.6 p -44.65 -57.42 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 m -83.25 158.76 22.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.964 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 m -146.16 116.54 7.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.65 163.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.89 75.67 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -68.34 142.2 55.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.016 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 p -169.35 112.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.038 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.99 -82.73 0.23 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -115.28 113.39 43.46 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.464 0.744 . . . . 0.0 110.281 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.07 39.33 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.7 ' O ' HG22 ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.11 137.22 21.19 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -138.8 107.69 5.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -95.51 154.6 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -88.31 130.23 35.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.912 HD21 HD13 ' A' ' 32' ' ' ILE . 5.7 mt -79.5 147.23 32.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -58.29 167.7 1.56 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -17.46 19.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.453 1.765 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mtm-85 -97.12 -26.66 14.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.531 HD22 HD13 ' A' ' 81' ' ' LEU . 6.8 tp -92.14 -46.56 7.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.86 -31.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 18' ' ' LEU . 2.1 mtp-105 -94.36 -46.29 7.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.7 tp -40.64 -59.99 1.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.6 mt -83.74 -39.79 19.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.7 9.61 45.92 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.586 1.178 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.58 ' O ' HD12 ' A' ' 14' ' ' LEU . 4.5 mt -92.26 107.97 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 0.764 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -59.43 -64.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 m -152.07 115.61 4.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 110.402 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.701 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -137.4 -171.52 2.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.7 HG22 ' O ' ' A' ' 10' ' ' PRO . 74.3 p -81.72 -168.76 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.435 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.625 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 8.5 ttp-105 -83.28 -43.99 0.84 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.03 -7.92 19.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.527 1.804 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.701 HG11 ' CG ' ' A' ' 27' ' ' GLN . 34.5 t -100.85 -27.01 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.912 HD13 HD21 ' A' ' 14' ' ' LEU . 89.9 mt -88.6 -42.83 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.473 ' HB ' ' O ' ' A' ' 29' ' ' ARG . 1.7 tt -56.31 -42.09 72.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' TRP . 30.0 mm-40 -64.13 -63.4 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.241 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.43 -29.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.542 HD21 ' CG2' ' A' ' 74' ' ' ILE . 6.0 tp -80.34 -51.09 9.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.471 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 78.6 m95 -53.09 -44.99 68.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 107.974 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -60.08 -14.23 15.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.493 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 5.2 t80 -86.45 -47.35 9.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 111.038 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.587 HG21 ' HE1' ' A' ' 71' ' ' PHE . 62.5 mt -69.38 -22.85 25.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.8 -47.72 11.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.0 m -73.59 -43.5 59.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.418 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.447 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 1.9 m80 -82.84 1.34 39.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.596 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' HIS . 1.5 mmpt? 39.51 59.94 1.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.74 HD13 HD12 ' A' ' 60' ' ' LEU . 83.9 mt -84.3 0.83 47.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.1 tt0 -52.11 126.73 19.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 50' ' ' GLU . 28.3 t70 -58.91 129.12 85.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -17.35 19.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.3 -54.99 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.644 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.8 mm-40 -108.3 -174.13 2.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 6.3 mmt180 -120.52 -6.67 9.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.584 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 7.0 pm0 -111.76 -10.52 14.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.584 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 38.0 m-85 -95.37 165.4 12.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.843 HG11 HD11 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -143.76 117.69 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.515 HD21 ' HG3' ' A' ' 68' ' ' ARG . 14.2 mt -77.82 102.15 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 32.7 m -52.64 137.51 30.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 108.315 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -179.13 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.559 ' HE3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -56.55 -32.63 65.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.559 ' CE1' ' HE3' ' A' ' 58' ' ' LYS . 12.7 m-30 -74.28 -55.32 6.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.74 HD12 HD13 ' A' ' 45' ' ' LEU . 88.8 mt -60.81 -38.16 84.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -57.07 -20.81 27.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.26 -13.96 19.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.43 HG23 HD22 ' A' ' 81' ' ' LEU . 12.2 mt -101.71 -64.38 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.551 ' CE1' HD22 ' A' ' 60' ' ' LEU . 30.3 m-85 -71.46 -35.66 70.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 66.86 30.17 7.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.02 95.07 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.042 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 68' ' ' ARG . 17.8 pt20 -43.84 -47.09 8.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.515 ' HG3' HD21 ' A' ' 55' ' ' LEU . 6.8 ttp180 -143.65 122.76 12.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.254 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.564 ' HE3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -137.96 168.15 20.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -87.67 143.91 26.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.587 ' HE1' HG21 ' A' ' 40' ' ' ILE . 4.2 m-85 -53.27 -24.57 11.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.8 m -80.38 -11.35 59.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.034 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -96.48 1.64 51.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.843 HD11 HG11 ' A' ' 54' ' ' VAL . 2.1 mm -74.8 -45.05 5.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.01 -12.86 21.5 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.487 1.783 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -93.43 -14.53 26.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.535 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -104.05 -12.88 16.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.533 HD23 HD12 ' A' ' 81' ' ' LEU . 8.8 mt -70.8 -41.93 70.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -40.83 -36.88 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.619 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.15 -49.23 52.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.533 HD12 HD23 ' A' ' 78' ' ' LEU . 14.7 mt -66.71 -17.42 64.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 78' ' ' LEU . 63.5 mt -95.81 121.44 37.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 75.6 mtm -119.55 159.21 46.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.42 3.79 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.533 1.807 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -166.58 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.799 . . . . 0.0 111.053 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -62.82 158.65 51.02 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -35.66 3.06 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.521 1.801 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 t -166.48 121.88 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 110.076 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -139.88 -157.91 7.42 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 178.35 7.39 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.54 1.81 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.55 138.86 50.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.079 . . . . 0.0 109.999 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.3 t -138.54 150.45 46.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.5 m -138.96 103.99 4.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 110.017 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t 62.37 99.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.965 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.92 -99.88 0.31 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 m -111.96 169.11 9.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.737 . . . . 0.0 109.958 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.42 172.46 9.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.025 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.97 132.55 7.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.441 1.088 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 40.17 81.85 0.24 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 110.316 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 172.19 16.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.764 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.509 ' O ' HG22 ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.04 161.47 38.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.556 1.819 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.406 ' O ' ' CG ' ' A' ' 85' ' ' PRO . 13.5 mt-30 -159.31 108.74 1.89 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.419 ' CE2' ' NH2' ' A' ' 29' ' ' ARG . 53.1 m-85 -99.7 146.89 26.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -80.71 131.06 35.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.598 HD12 ' O ' ' A' ' 24' ' ' ILE . 5.2 mt -83.78 143.96 29.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -55.27 166.08 0.96 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -16.7 20.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -97.29 -26.83 14.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.45 HD22 HD13 ' A' ' 81' ' ' LEU . 7.2 tp -92.41 -45.56 8.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -45.32 -29.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.13 -29.66 15.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' LEU . 11.7 tp -60.12 -61.17 2.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.7 mt -83.21 -33.02 26.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.21 16.26 53.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.598 ' O ' HD12 ' A' ' 14' ' ' LEU . 5.5 mt -97.46 100.76 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -50.99 -64.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.566 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.5 m -155.0 115.17 3.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.436 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.727 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -133.06 -168.76 2.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.684 ' O ' HD12 ' A' ' 32' ' ' ILE . 17.7 p -84.36 -177.89 6.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.577 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -76.22 -46.58 3.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 110.288 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -74.96 -5.6 17.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.727 HG11 ' CG ' ' A' ' 27' ' ' GLN . 40.5 t -99.22 -29.17 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.684 HD12 ' O ' ' A' ' 28' ' ' THR . 22.8 mt -87.64 -54.79 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.603 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.1 tt -41.85 -45.11 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' ALA . 15.6 mm-40 -65.24 -61.25 2.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.63 -42.61 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.241 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.533 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.7 tp -67.91 -50.6 55.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.603 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 62.0 m95 -52.53 -42.02 63.99 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -62.62 -12.08 20.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.514 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 6.0 t80 -87.39 -47.48 8.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.468 HG21 ' HE1' ' A' ' 71' ' ' PHE . 26.2 mt -70.3 -20.85 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -84.5 -46.05 12.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 m -75.97 -44.03 41.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.358 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 44' ' ' LYS . 1.7 m80 -81.69 2.09 31.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.62 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 43' ' ' HIS . 1.4 mtpt 38.8 58.61 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.757 HD13 HD12 ' A' ' 60' ' ' LEU . 90.0 mt -85.74 4.2 37.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.57 133.23 30.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 50' ' ' GLU . 22.9 t70 -66.44 126.98 93.06 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -15.07 21.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -81.29 -56.08 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.609 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.462 ' O ' ' O ' ' A' ' 47' ' ' ASP . 3.1 mm-40 -111.75 -175.62 2.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -116.16 -19.69 10.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.595 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 9.9 pm0 -96.06 -16.14 21.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.595 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 56.2 m-85 -93.85 166.96 11.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.603 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -148.36 127.77 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 4.1 mt -83.3 115.63 22.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.452 ' HB3' ' CB ' ' A' ' 60' ' ' LEU . 11.1 m -70.99 127.0 31.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.279 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.475 ' OD2' HD21 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -62.49 -178.82 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -49.77 -57.37 7.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.534 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 3.9 m-30 -51.69 -58.18 7.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.757 HD12 HD13 ' A' ' 45' ' ' LEU . 95.9 mt -54.96 -44.14 74.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -57.24 -18.58 16.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -99.42 -13.72 19.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.401 ' CD1' HD22 ' A' ' 21' ' ' LEU . 65.7 mt -102.22 -60.1 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.536 ' CE2' HD22 ' A' ' 60' ' ' LEU . 37.0 m-85 -76.93 -36.42 56.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 67.92 30.02 6.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.81 95.91 4.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.977 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.52 -44.84 26.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.467 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 15.4 ttt180 -139.88 122.33 16.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -139.44 166.12 25.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.574 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -86.93 142.63 27.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.603 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 2.1 m-85 -52.55 -29.01 23.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.412 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 0.3 OUTLIER -78.75 -11.54 59.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.946 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -95.42 -1.13 51.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.3 mm -72.11 -45.85 11.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.99 -12.2 21.52 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.521 1.8 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -85.54 -19.36 31.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.341 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -102.67 -21.12 14.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 82' ' ' LEU . 7.3 mt -60.18 -43.28 95.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -43.15 -34.72 1.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.564 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.08 -45.22 58.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.461 HD12 HD23 ' A' ' 78' ' ' LEU . 11.0 mt -72.36 -14.01 61.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 78' ' ' LEU . 49.6 mt -101.08 112.65 25.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 75.5 mtm -113.37 160.13 32.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 113.98 3.92 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.406 ' CG ' ' O ' ' A' ' 11' ' ' GLN . 18.3 Cg_endo -74.96 54.87 3.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -130.55 155.86 80.52 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.245 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.509 1.794 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.8 m 53.96 84.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -118.94 145.72 18.25 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 120.28 6.0 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.537 1.809 . . . . 0.0 111.0 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 t -95.87 155.94 16.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.8 t -99.39 92.34 5.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 110.936 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.8 p -62.3 160.18 13.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -155.85 98.43 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.035 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.19 -179.49 30.21 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.3 t 179.27 160.86 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.985 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.83 -54.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.42 -115.29 1.42 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.89 119.52 38.39 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.747 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 159.18 41.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.779 ' O ' HG22 ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.01 166.13 29.84 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 27' ' ' GLN . 12.2 mt-30 -162.59 116.59 1.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.467 ' HB2' HD22 ' A' ' 82' ' ' LEU . 55.0 m-85 -105.1 147.38 27.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 ttpp -79.47 131.5 36.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.469 HD12 ' O ' ' A' ' 24' ' ' ILE . 4.6 mt -84.51 142.87 29.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -53.79 166.67 0.58 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -15.39 20.74 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 110.972 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.9 mtm-85 -97.1 -28.55 14.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.564 HD22 HD13 ' A' ' 81' ' ' LEU . 8.1 tp -91.73 -47.57 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.97 -30.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.446 ' N ' ' C ' ' A' ' 18' ' ' LEU . 9.6 mtp180 -94.18 -48.07 6.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.349 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.7 tp -41.2 -61.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.9 mt -82.31 -34.04 28.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.27 6.54 62.85 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.463 1.102 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.469 ' O ' HD12 ' A' ' 14' ' ' LEU . 5.0 mt -87.07 107.4 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -59.5 -61.29 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.611 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.8 m -157.14 111.08 2.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.402 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.645 ' CG ' HG11 ' A' ' 31' ' ' VAL . 1.2 mp0 -127.47 -170.9 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.779 HG22 ' O ' ' A' ' 10' ' ' PRO . 81.9 p -82.91 -169.1 2.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.623 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 17.6 ttp180 -83.37 -44.11 0.83 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.99 -6.26 17.84 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.645 HG11 ' CG ' ' A' ' 27' ' ' GLN . 20.5 t -100.58 -33.87 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.615 HD12 ' O ' ' A' ' 28' ' ' THR . 58.3 mt -79.16 -43.93 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.227 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.601 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.2 tt -55.17 -41.51 60.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' TRP . 63.6 mm-40 -69.81 -62.87 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.43 -30.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.701 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.4 tp -80.63 -51.69 8.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 57.3 m95 -51.95 -45.84 64.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 108.021 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -58.06 -16.1 11.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.518 ' CE1' ' CD2' ' A' ' 43' ' ' HIS . 5.1 t80 -84.43 -46.8 11.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.432 ' CD1' HG21 ' A' ' 54' ' ' VAL . 65.4 mt -66.91 -24.11 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 0.0 109.354 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -84.5 -50.41 7.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.8 m -68.66 -39.7 80.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.518 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 1.8 m80 -88.84 -2.22 58.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.616 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.8 mttt 43.68 58.69 3.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.653 HD13 HD12 ' A' ' 60' ' ' LEU . 53.3 mt -82.39 1.99 34.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.46 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.1 tt0 -51.49 128.14 22.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' A' ' 50' ' ' GLU . 33.4 t70 -63.06 130.23 93.99 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.73 20.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.548 1.815 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.44 -57.22 3.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.6 mm-40 -111.22 167.34 10.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.46 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 1.3 mmt-85 -104.82 -5.56 21.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.59 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 10.3 pm0 -104.99 -22.78 13.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.59 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 61.0 m-85 -90.48 167.8 12.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.649 ' CG1' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -146.45 120.49 2.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.464 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 6.9 mt -78.1 116.7 18.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.0 m -69.21 138.14 53.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 108.282 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -72.89 166.99 21.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.507 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -41.21 -41.65 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.507 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 12.3 m-85 -65.48 -63.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.653 HD12 HD13 ' A' ' 45' ' ' LEU . 83.8 mt -53.0 -40.19 63.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -57.86 -19.95 32.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -98.96 -12.8 20.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.7 mt -101.75 -63.02 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 77' ' ' ARG . 27.2 m-85 -73.22 -36.59 66.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 69.88 30.07 3.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.348 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.31 91.97 3.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.2 -45.22 16.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.464 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 17.7 ttt180 -138.85 122.06 16.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.464 ' HE2' HD13 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -139.13 166.41 24.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 111.036 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -88.18 143.83 26.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 2.6 m-85 -52.68 -25.92 12.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.417 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 48.1 t -82.74 -11.56 58.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -95.86 1.49 53.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.701 ' CG2' HD21 ' A' ' 36' ' ' LEU . 2.5 mm -76.42 -45.64 3.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.94 -12.07 21.62 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.472 1.775 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -92.05 -16.55 26.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.344 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.452 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -101.71 -16.32 16.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 82' ' ' LEU . 8.5 mt -65.58 -42.28 91.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -39.96 -37.54 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.572 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.94 -51.72 36.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.564 HD13 HD22 ' A' ' 18' ' ' LEU . 11.9 mt -65.85 -18.91 65.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.602 HD21 HG21 ' A' ' 32' ' ' ILE . 89.0 mt -95.29 119.8 34.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 73.7 mtm -118.92 159.91 42.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 116.12 4.49 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.416 1.746 . . . . 0.0 111.042 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.92 3.79 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.22 155.21 3.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.6 m 50.29 77.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -47.79 158.11 0.72 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -46.27 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.526 1.803 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.99 160.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 79.2 p 47.9 93.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 110.006 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t 53.52 92.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.782 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 p -152.58 151.71 30.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.97 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.16 72.48 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -128.4 -60.29 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.985 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -51.3 146.32 7.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.89 162.98 15.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 43.57 91.68 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.492 0.76 . . . . 0.0 110.322 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 160.79 39.69 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.519 1.799 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.408 ' O ' ' HA ' ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.0 104.58 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.789 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.448 ' HG3' HG22 ' A' ' 28' ' ' THR . 5.0 mp0 -113.12 127.57 56.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.342 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -111.74 156.26 22.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -90.68 130.92 36.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.992 HD21 HD13 ' A' ' 32' ' ' ILE . 5.2 mt -81.89 146.76 29.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -58.83 167.55 1.85 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -16.39 20.21 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 110.974 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.465 ' HB3' HD11 ' A' ' 63' ' ' ILE . 21.1 mtm180 -97.1 -27.28 14.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.489 HD22 HD13 ' A' ' 81' ' ' LEU . 6.4 tp -92.34 -47.67 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.38 -30.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.443 ' N ' ' C ' ' A' ' 18' ' ' LEU . 1.7 ptm180 -95.13 -39.81 9.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.443 ' HA ' HD12 ' A' ' 21' ' ' LEU . 10.9 tp -48.12 -60.86 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.5 mt -83.55 -34.72 25.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.83 15.5 52.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.522 ' O ' HD12 ' A' ' 14' ' ' LEU . 12.3 mt -96.17 99.66 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.761 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -49.95 -66.51 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.625 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.421 ' O ' ' CD ' ' A' ' 27' ' ' GLN . 2.7 m -151.72 121.07 6.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.729 ' CG ' HG11 ' A' ' 31' ' ' VAL . 1.5 mp0 -142.55 -167.59 2.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.501 ' O ' HD12 ' A' ' 32' ' ' ILE . 46.6 p -85.35 -166.78 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.36 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.585 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 12.4 ttp85 -83.66 -46.42 0.78 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.99 -6.81 18.53 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.439 1.757 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.729 HG11 ' CG ' ' A' ' 27' ' ' GLN . 44.2 t -101.04 -22.51 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.992 HD13 HD21 ' A' ' 14' ' ' LEU . 86.7 mt -97.36 -40.47 10.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.466 ' HB ' ' O ' ' A' ' 29' ' ' ARG . 3.1 tt -58.73 -40.58 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -65.65 -58.95 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.39 -27.31 0.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.506 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.4 tp -82.51 -47.43 12.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.441 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 60.9 m95 -55.06 -43.38 73.78 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.02 -14.6 49.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.606 ' CE1' ' CD2' ' A' ' 43' ' ' HIS . 6.5 t80 -84.06 -45.5 12.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.605 ' CD1' HG21 ' A' ' 54' ' ' VAL . 52.9 mt -67.13 -24.87 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -84.13 -49.07 9.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.6 m -69.62 -37.3 76.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.376 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.606 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 1.1 m80 -92.22 1.07 57.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 43' ' ' HIS . 8.2 mttt 39.62 59.53 1.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.7 HD13 HD12 ' A' ' 60' ' ' LEU . 80.1 mt -84.97 1.25 48.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.464 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.2 tt0 -51.65 129.72 26.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 50' ' ' GLU . 26.7 t70 -64.45 128.18 93.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -11.45 21.6 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.493 1.786 . . . . 0.0 111.047 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.499 ' NE2' HD11 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -83.27 -51.37 7.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.561 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.462 ' O ' ' O ' ' A' ' 47' ' ' ASP . 3.1 mm-40 -116.76 -174.23 2.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.464 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.27 -15.59 9.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.311 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.618 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 6.5 pm0 -98.79 -22.56 15.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.618 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 54.5 m-85 -87.0 166.33 15.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.605 HG21 ' CD1' ' A' ' 40' ' ' ILE . 0.2 OUTLIER -147.83 121.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.499 HD11 ' NE2' ' A' ' 49' ' ' HIS . 2.6 mt -81.8 115.47 21.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.2 m -65.46 139.0 58.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 108.272 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.71 -177.55 1.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.456 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 1.6 ptpt -57.19 -39.47 75.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.456 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 14.1 m-85 -68.31 -53.18 26.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.7 HD12 HD13 ' A' ' 45' ' ' LEU . 95.8 mt -61.33 -41.9 97.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -55.32 -18.77 7.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -99.03 -15.29 19.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.52 HG23 HD22 ' A' ' 81' ' ' LEU . 8.9 mt -101.59 -59.64 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.557 ' CE2' HD22 ' A' ' 60' ' ' LEU . 38.4 m-85 -76.35 -39.47 53.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 68.91 30.17 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.12 94.13 4.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -45.34 -44.85 12.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 13.0 ttt180 -143.99 123.57 13.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.501 ' HE2' HD13 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -139.31 166.25 25.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.944 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.591 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -86.97 142.72 27.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.615 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 3.2 m-85 -53.78 -20.23 5.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.1 -11.69 56.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -97.53 0.84 48.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.629 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 3.1 mm -74.65 -44.94 5.46 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.0 -13.76 21.32 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -93.45 -16.61 24.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.86 -18.61 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 82' ' ' LEU . 7.2 mt -64.64 -39.59 93.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -43.39 -38.07 2.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.594 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.22 -47.91 72.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.52 HD22 HG23 ' A' ' 63' ' ' ILE . 13.6 mt -70.41 -20.27 62.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 78' ' ' LEU . 81.7 mt -92.39 120.01 32.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 30.9 mtm -117.38 158.24 45.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 115.67 4.36 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 54.94 3.83 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -124.03 154.48 68.01 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' A' ' 88' ' ' SER . 18.3 Cg_endo -74.96 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.764 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 87' ' ' PRO . 0.3 OUTLIER 83.72 -49.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.015 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -57.86 170.2 4.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 84.22 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.498 1.789 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 t -115.88 145.23 43.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.977 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.4 t -119.32 -57.32 2.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.972 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 p -64.85 137.05 57.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.78 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -68.69 -46.33 69.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.37 71.5 0.51 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 p -65.29 145.11 56.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -176.02 131.08 0.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.095 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.95 -130.36 47.61 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -83.32 152.91 65.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 169.15 23.26 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.767 ' O ' HG22 ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.97 171.48 18.24 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.517 1.798 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -164.64 127.35 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -115.13 145.79 42.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 tmmt? -79.74 126.56 31.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.853 HD21 HD13 ' A' ' 32' ' ' ILE . 4.3 mt -79.03 143.74 35.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -55.75 167.14 0.86 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -15.35 20.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.542 1.812 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -97.5 -27.98 14.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.57 HD22 HD13 ' A' ' 81' ' ' LEU . 6.8 tp -92.11 -47.71 7.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.94 -30.74 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.438 ' N ' ' C ' ' A' ' 18' ' ' LEU . 3.9 ptm180 -95.13 -40.99 9.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.513 HD23 HD12 ' A' ' 18' ' ' LEU . 12.8 tp -45.07 -60.15 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.3 mt -84.72 -35.85 22.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.19 -0.42 57.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.509 ' O ' HD12 ' A' ' 14' ' ' LEU . 4.6 mt -82.2 109.88 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -61.29 -64.38 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.567 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -152.28 114.13 4.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.399 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.717 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -132.99 -169.61 2.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.767 HG22 ' O ' ' A' ' 10' ' ' PRO . 76.7 p -83.59 -168.25 2.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.604 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 6.1 ttp-105 -84.07 -45.2 0.76 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -75.04 -5.78 17.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.534 1.807 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.717 HG11 ' CG ' ' A' ' 27' ' ' GLN . 31.2 t -100.84 -30.75 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.853 HD13 HD21 ' A' ' 14' ' ' LEU . 86.1 mt -85.37 -51.06 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.486 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.4 tt -46.04 -45.04 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 37' ' ' TRP . 4.8 mm-40 -64.66 -60.64 2.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.09 -29.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.581 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 6.0 tp -80.92 -51.16 8.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.486 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 86.8 m95 -52.41 -46.23 66.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 108.028 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -59.64 -14.75 15.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.263 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.492 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 5.1 t80 -86.41 -48.53 8.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.676 HG23 ' HB2' ' A' ' 45' ' ' LEU . 44.7 mt -66.51 -22.3 29.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -85.29 -50.82 7.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.234 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.0 m -69.63 -39.8 76.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.433 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.421 ' CD2' ' CE2' ' A' ' 39' ' ' TYR . 1.5 m80 -88.61 4.66 46.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' HIS . 9.6 mmtt 40.18 59.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.244 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.717 HD13 HD12 ' A' ' 60' ' ' LEU . 81.1 mt -81.9 -4.12 55.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.9 OUTLIER -51.91 126.3 17.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.278 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 50' ' ' GLU . 32.7 t70 -59.67 130.8 88.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.27 21.48 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.519 1.799 . . . . 0.0 111.032 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.13 -54.68 4.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.58 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.457 ' O ' ' O ' ' A' ' 47' ' ' ASP . 5.8 mm-40 -110.56 -175.7 2.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.458 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.1 -13.82 9.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.614 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 1.3 pm0 -100.99 -19.67 15.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.614 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 55.2 m-85 -89.61 166.25 13.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.783 HG11 HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -145.9 122.68 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.493 HD21 ' HG3' ' A' ' 68' ' ' ARG . 6.3 mt -81.71 111.63 18.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 33.7 m -64.62 134.06 53.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 108.333 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.36 -179.49 2.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -51.8 -45.9 64.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.526 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 4.3 m-30 -62.41 -61.4 2.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.717 HD12 HD13 ' A' ' 45' ' ' LEU . 98.4 mt -52.23 -41.88 63.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -57.3 -19.19 20.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -99.29 -14.28 19.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.426 HG23 ' CD2' ' A' ' 81' ' ' LEU . 13.1 mt -101.67 -60.06 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.552 ' CE2' HD22 ' A' ' 60' ' ' LEU . 40.9 m-85 -77.62 -40.87 40.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 70.81 30.24 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.243 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.23 94.65 4.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -41.83 -47.24 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.493 ' HG3' HD21 ' A' ' 55' ' ' LEU . 8.1 ttp180 -147.33 124.18 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.444 ' HE3' HD13 ' A' ' 74' ' ' ILE . 0.8 OUTLIER -138.15 163.33 31.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.573 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -82.07 142.57 32.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.622 ' HE1' HG21 ' A' ' 40' ' ' ILE . 3.9 m-85 -52.43 -28.57 20.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 38.8 t -76.41 -12.56 60.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -96.07 3.56 53.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.783 HD11 HG11 ' A' ' 54' ' ' VAL . 2.3 mm -74.92 -45.99 4.97 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.02 -10.86 21.36 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.553 1.817 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -91.05 -18.67 24.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -101.56 -23.43 14.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' LEU . 7.3 mt -59.11 -37.71 77.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -46.55 -28.26 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.614 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.81 -45.49 28.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.57 HD13 HD22 ' A' ' 18' ' ' LEU . 11.8 mt -75.08 -10.54 59.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.447 HD21 HG21 ' A' ' 32' ' ' ILE . 83.7 mt -103.69 117.27 33.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 28.7 mtm -118.35 158.54 46.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 114.31 4.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.498 1.788 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 171.69 17.83 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.53 1.805 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -102.75 158.84 30.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -30.53 7.05 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.51 87.49 2.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.039 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -149.8 124.06 1.7 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 110.962 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 102.08 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.461 1.769 . . . . 0.0 111.021 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 t -74.0 89.43 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.8 t 45.77 84.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.046 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.445 1.091 . . . . 0.0 110.972 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.1 t -117.86 160.05 22.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 109.97 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.9 p -122.75 156.71 33.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.5 138.27 3.59 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.52 1.138 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -145.41 168.61 20.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.973 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -119.49 154.62 33.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.96 -116.77 9.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -44.28 153.19 0.45 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 161.72 38.33 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 171.57 18.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 27' ' ' GLN . 9.2 mt-30 -166.69 113.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -104.58 146.38 28.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 ttpp -80.74 129.54 34.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.859 HD21 HD13 ' A' ' 32' ' ' ILE . 4.5 mt -83.42 143.5 30.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -53.01 167.37 0.41 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -17.55 19.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.772 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -96.67 -26.74 15.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.587 HD22 HD13 ' A' ' 81' ' ' LEU . 7.2 tp -92.14 -47.69 7.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.91 -30.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.358 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.442 ' N ' ' C ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -95.08 -46.31 6.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 21' ' ' LEU . 14.5 tp -40.48 -58.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.5 mt -86.59 -35.14 19.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.83 12.98 54.87 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.425 ' O ' HD12 ' A' ' 14' ' ' LEU . 10.7 mt -93.39 104.78 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 0.777 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -58.84 -60.14 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.583 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.2 m -156.99 112.32 2.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 110.432 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.654 ' HG2' HG11 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -132.18 -170.16 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.572 ' OG1' HG23 ' A' ' 31' ' ' VAL . 34.2 p -82.24 -176.06 5.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.455 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.609 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 3.6 ttt-85 -78.92 -44.8 1.81 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.04 -6.21 17.74 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.466 1.772 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.654 HG11 ' HG2' ' A' ' 27' ' ' GLN . 42.3 t -99.13 -33.1 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.859 HD13 HD21 ' A' ' 14' ' ' LEU . 68.3 mt -82.32 -55.43 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.569 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.1 tt -41.01 -44.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 37' ' ' TRP . 14.2 mt-30 -67.35 -59.53 3.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.75 -30.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.527 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.9 tp -81.76 -51.54 8.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.569 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 85.5 m95 -51.91 -45.14 64.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 108.008 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -59.29 -14.76 12.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.51 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 5.4 t80 -86.18 -47.54 9.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.724 HG23 ' HB2' ' A' ' 45' ' ' LEU . 41.9 mt -67.42 -24.1 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -82.78 -50.75 8.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.4 m -69.66 -43.55 72.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.483 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 1.6 m80 -84.75 3.98 34.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.604 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.2 mttt 41.03 58.35 2.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.724 ' HB2' HG23 ' A' ' 40' ' ' ILE . 91.2 mt -79.44 -3.33 46.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.474 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.9 OUTLIER -51.32 123.42 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.531 ' OD1' HD21 ' A' ' 55' ' ' LEU . 36.2 t70 -59.58 132.22 88.54 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -14.51 21.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.451 1.763 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.43 -57.08 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.587 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.458 ' O ' ' O ' ' A' ' 47' ' ' ASP . 6.7 mm-40 -113.38 173.24 6.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.474 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -107.06 -13.78 15.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.597 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 4.8 pm0 -97.14 -20.76 17.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.346 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.597 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 58.0 m-85 -91.04 167.52 12.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.658 ' CG1' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -148.02 122.25 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.531 HD21 ' OD1' ' A' ' 47' ' ' ASP . 6.0 mt -78.54 108.45 11.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 20.8 m -62.49 128.88 38.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 108.291 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -178.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -54.74 -47.12 74.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.529 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 4.1 m-30 -61.02 -56.39 21.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.62 HD12 HD13 ' A' ' 45' ' ' LEU . 90.7 mt -56.2 -42.72 77.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -56.11 -17.88 8.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -99.01 -15.08 19.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.419 HG23 ' CD2' ' A' ' 81' ' ' LEU . 13.3 mt -101.67 -58.5 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.54 ' CE2' HD22 ' A' ' 60' ' ' LEU . 38.7 m-85 -78.07 -40.38 38.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 69.46 30.78 3.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.04 94.82 4.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -42.01 -47.64 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.264 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.547 ' NE ' ' CD2' ' A' ' 53' ' ' PHE . 6.0 ttp180 -142.51 123.13 14.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.46 ' HE2' HD13 ' A' ' 74' ' ' ILE . 2.0 ptm -138.15 162.05 35.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -80.18 140.46 36.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.661 ' HE1' HG21 ' A' ' 40' ' ' ILE . 2.3 m-85 -51.62 -32.2 28.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 t -73.64 -12.29 60.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -95.85 3.49 53.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.422 1.076 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.658 HD11 ' CG1' ' A' ' 54' ' ' VAL . 2.1 mm -75.19 -45.95 4.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.0 -11.47 21.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.46 1.768 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -88.62 -17.26 30.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.438 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -104.8 -16.88 14.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.595 HD23 HD12 ' A' ' 81' ' ' LEU . 8.9 mt -66.0 -42.78 89.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -42.56 -34.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.6 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.89 -47.01 55.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.595 HD12 HD23 ' A' ' 78' ' ' LEU . 16.3 mt -70.74 -17.58 62.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.458 HD21 HG21 ' A' ' 32' ' ' ILE . 61.5 mt -97.36 110.21 22.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 50.2 mtm -110.19 159.04 33.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 113.55 3.82 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 55.53 3.96 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.445 ' C ' ' H ' ' A' ' 88' ' ' SER . 0.3 OUTLIER -127.59 156.11 75.9 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 40.03 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.445 ' H ' ' C ' ' A' ' 86' ' ' GLU . 14.0 t -161.22 108.84 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.035 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -168.44 148.34 12.43 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 176.91 9.3 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.444 1.76 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 t -112.72 103.53 11.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.8 t -117.48 -58.63 2.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -156.81 -61.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 0.785 . . . . 0.0 109.962 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.09 141.9 21.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.4 118.72 5.1 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.1 p -176.84 130.3 0.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 109.968 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m 50.4 86.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.426 1.079 . . . . 0.0 109.971 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.88 -125.49 4.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -55.68 137.02 71.26 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 163.92 34.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 143.28 28.76 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -142.89 109.32 5.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 29' ' ' ARG . 15.9 m-85 -102.04 151.66 21.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -92.15 131.12 37.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.449 HD21 HD13 ' A' ' 32' ' ' ILE . 3.8 mt -81.97 146.14 29.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.6 167.37 1.38 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.232 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.61 20.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.85 -27.76 14.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.66 HD22 HD13 ' A' ' 81' ' ' LEU . 7.3 tp -92.1 -47.45 7.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.31 -31.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.441 ' N ' ' C ' ' A' ' 18' ' ' LEU . 2.7 mpt_? -93.92 -48.81 6.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' ARG . 10.6 tp -39.96 -59.79 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.1 mt -83.6 -32.7 25.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.04 -9.87 63.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.61 HG23 ' CD ' ' A' ' 27' ' ' GLN . 35.7 mt -71.4 135.12 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -90.42 -64.37 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.578 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 m -158.16 136.56 11.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 110.38 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.61 ' CD ' HG23 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -175.15 -166.97 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.258 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.936 ' O ' HD12 ' A' ' 32' ' ' ILE . 14.9 p -64.98 175.01 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.666 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 7.7 ttp-105 -78.62 -41.07 1.78 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.1 -4.62 15.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.604 HG23 ' OG1' ' A' ' 28' ' ' THR . 19.8 t -97.65 -19.18 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.936 HD12 ' O ' ' A' ' 28' ' ' THR . 5.6 mt -101.26 -44.19 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.53 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.4 tt -51.54 -42.11 28.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -63.5 -47.24 82.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.498 ' HB2' HD11 ' A' ' 24' ' ' ILE . . . -55.64 -24.46 33.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.603 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 6.0 tp -85.96 -47.14 9.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.53 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 95.4 m95 -55.49 -42.29 74.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 108.033 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -67.4 -15.1 63.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.567 ' CE1' ' CD2' ' A' ' 43' ' ' HIS . 8.0 t80 -85.05 -44.69 12.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.71 HG23 ' HB2' ' A' ' 45' ' ' LEU . 30.9 mt -69.5 -25.25 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.48 -49.8 10.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m -68.74 -43.92 74.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.567 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 1.3 m80 -82.41 -1.72 50.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.62 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt 47.5 57.08 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.748 HD13 HD12 ' A' ' 60' ' ' LEU . 90.0 mt -81.59 -5.49 58.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.469 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.9 OUTLIER -51.51 125.88 15.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.44 ' O ' ' O ' ' A' ' 50' ' ' GLU . 36.8 t70 -59.57 132.02 88.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -12.99 21.53 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.782 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.58 -54.64 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.585 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 47' ' ' ASP . 2.8 mm-40 -110.76 -174.21 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.469 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.13 -18.46 9.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 110.334 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.617 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 6.4 pm0 -95.73 -23.6 16.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.617 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 52.1 m-85 -85.48 165.44 17.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.63 HG11 HD11 ' A' ' 74' ' ' ILE . 0.8 OUTLIER -145.64 124.34 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.435 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 6.2 mt -82.98 100.45 10.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 60.4 m -51.83 141.14 17.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 108.325 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.06 174.15 11.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.493 ' HE2' ' CZ ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -48.71 -33.28 9.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.493 ' CZ ' ' HE2' ' A' ' 58' ' ' LYS . 14.3 m-85 -73.73 -62.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.748 HD12 HD13 ' A' ' 45' ' ' LEU . 89.4 mt -54.26 -38.62 66.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -57.58 -19.85 28.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -99.4 -12.81 19.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.43 HG23 ' CD2' ' A' ' 81' ' ' LEU . 19.9 mt -101.92 -58.98 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.535 ' CE1' HD22 ' A' ' 60' ' ' LEU . 31.2 m-85 -77.02 -36.21 56.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 68.59 30.49 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.93 98.29 5.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -48.74 -43.29 37.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.435 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 15.3 ttt180 -144.09 122.07 12.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.507 ' SD ' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -139.97 168.24 20.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.616 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -88.75 142.58 27.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.693 ' HE1' HG21 ' A' ' 40' ' ' ILE . 3.0 m-85 -55.97 -23.92 35.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.62 -13.9 59.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.37 7.33 46.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.63 HD11 HG11 ' A' ' 54' ' ' VAL . 1.4 mm -75.71 -46.23 4.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.97 -11.28 21.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.23 -17.52 23.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -102.98 -23.35 13.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.352 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.496 HD12 HG13 ' A' ' 33' ' ' ILE . 6.7 mt -60.54 -39.66 88.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -41.02 -34.1 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.28 -50.92 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.66 HD13 HD22 ' A' ' 18' ' ' LEU . 17.3 mt -67.84 -15.44 63.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 78' ' ' LEU . 82.9 mt -99.39 113.23 25.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 44.6 mtm -115.87 159.17 40.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 114.55 4.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 55.26 3.89 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -119.21 159.48 45.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.553 1.817 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 46.07 85.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.962 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -113.76 -146.65 9.51 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 89.08 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.448 1.762 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 t -40.79 105.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.7 m -151.41 119.74 6.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.94 158.69 15.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.69 171.32 12.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.37 167.7 23.74 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -169.21 126.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 110.012 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.92 164.42 25.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.41 -101.83 1.73 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.408 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 6.3 pt20 -133.66 64.4 67.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.457 0.739 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 8' ' ' GLN . 18.2 Cg_endo -75.01 173.2 14.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.461 1.769 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.502 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 18.3 Cg_endo -74.97 168.99 23.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.528 1.804 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 10' ' ' PRO . 14.9 mt-30 -165.37 111.98 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.364 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.708 ' CZ ' ' CZ ' ' A' ' 29' ' ' ARG . 52.1 m-85 -101.17 148.71 24.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -77.99 132.98 38.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.01 HD12 ' O ' ' A' ' 24' ' ' ILE . 3.9 mt -85.41 144.74 27.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.524 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -54.63 162.12 1.88 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -16.2 20.19 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.772 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -97.46 -27.62 14.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.662 HD22 HD13 ' A' ' 81' ' ' LEU . 6.8 tp -92.35 -45.81 8.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -38.49 -35.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -90.45 -47.82 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.257 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.5 tp -40.16 -55.02 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.7 mt -87.14 -36.8 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.09 -16.88 38.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.01 ' O ' HD12 ' A' ' 14' ' ' LEU . 85.3 mt -84.77 120.58 35.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.565 0.803 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -89.05 -36.6 15.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.576 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.466 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 9.2 m -146.86 139.14 24.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.38 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.536 ' CG ' HG11 ' A' ' 31' ' ' VAL . 1.5 tp-100 -175.44 -177.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.478 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 74.3 p -76.64 -170.01 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.458 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.826 HH11 HD13 ' A' ' 82' ' ' LEU . 4.3 tpp180 -84.49 -43.51 0.72 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.95 -9.98 21.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.431 1.753 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.536 HG11 ' CG ' ' A' ' 27' ' ' GLN . 77.6 t -101.49 -14.48 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.785 HD13 HD21 ' A' ' 14' ' ' LEU . 42.4 mt -100.34 -36.3 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.551 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.0 OUTLIER -65.7 -43.91 93.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 36' ' ' LEU . 57.7 mm-40 -65.21 -58.54 5.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.87 -30.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.597 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 5.9 tp -81.59 -52.05 7.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.551 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 93.6 m95 -52.28 -45.56 65.52 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -14.3 17.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.503 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 5.4 t80 -86.19 -49.12 7.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.602 HG21 ' HE1' ' A' ' 71' ' ' PHE . 34.2 mt -68.11 -25.43 31.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -51.27 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.3 m -68.82 -44.29 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -83.05 0.5 44.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 109.609 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 mttt 40.45 59.41 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.761 HD13 HD12 ' A' ' 60' ' ' LEU . 85.3 mt -85.25 2.83 42.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.08 134.32 32.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.262 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' A' ' 50' ' ' GLU . 23.2 t70 -66.86 128.67 93.96 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.73 20.06 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.09 -53.69 7.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.619 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.443 ' O ' ' O ' ' A' ' 47' ' ' ASP . 9.0 mm-40 -111.79 -173.18 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.62 -10.27 10.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.574 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 9.6 pm0 -108.0 -15.64 14.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.574 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 36.5 m-85 -90.28 165.31 13.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.786 HG11 HD11 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -144.81 124.7 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.474 ' CD2' ' HB2' ' A' ' 68' ' ' ARG . 10.4 mt -81.98 105.12 12.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.7 m -58.68 131.3 50.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 108.332 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.1 178.06 2.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.47 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 2.2 ptpt -53.33 -33.16 52.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.47 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 14.7 m-85 -72.44 -56.07 6.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.761 HD12 HD13 ' A' ' 45' ' ' LEU . 90.8 mt -60.64 -35.93 77.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -59.39 -19.85 50.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.098 . . . . 0.0 110.312 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -99.34 -13.63 19.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.528 HG23 HD21 ' A' ' 81' ' ' LEU . 11.8 mt -102.1 -61.98 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.542 ' CE2' HD22 ' A' ' 60' ' ' LEU . 36.8 m-85 -76.38 -36.93 57.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 66.4 31.08 8.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 110.329 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.13 94.07 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -40.37 -48.33 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.474 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . 4.5 ttp180 -147.24 122.75 10.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.467 ' CE ' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.01 167.64 21.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 110.983 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -83.65 142.31 30.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.602 ' HE1' HG21 ' A' ' 40' ' ' ILE . 3.7 m-85 -52.3 -28.54 19.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 t -74.35 -12.98 60.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.973 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -95.56 5.71 50.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.786 HD11 HG11 ' A' ' 54' ' ' VAL . 1.6 mm -76.54 -46.88 3.25 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.1 Cg_endo -74.98 -11.46 21.52 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.496 1.787 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -91.56 -13.88 31.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.506 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -108.23 -11.77 15.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.281 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.727 HD23 HD12 ' A' ' 81' ' ' LEU . 9.8 mt -73.57 -41.64 62.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.416 ' CD2' ' O ' ' A' ' 75' ' ' PRO . 96.8 m-70 -41.19 -36.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.62 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.53 -49.28 42.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.727 HD12 HD23 ' A' ' 78' ' ' LEU . 38.3 mt -65.07 -12.11 47.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.826 HD13 HH11 ' A' ' 29' ' ' ARG . 28.6 mt -101.24 122.89 44.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 61.8 mtm -123.35 160.51 50.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 113.56 3.82 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.01 156.57 87.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.0 t -116.06 105.38 12.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.18 -179.58 23.9 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 170.02 21.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.557 1.819 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.0 m -157.85 149.98 22.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.2 t -105.33 164.98 11.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 t 62.68 136.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 0.781 . . . . 0.0 109.962 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -116.29 -57.38 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.46 -175.23 26.01 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.496 1.122 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.19 -62.6 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 110.039 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m 47.74 92.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.998 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.97 -149.69 15.78 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -42.34 112.12 1.05 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 163.9 34.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 110.984 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 1.004 ' O ' HG22 ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.04 165.43 31.28 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.487 1.783 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.427 ' OE1' HG22 ' A' ' 26' ' ' THR . 11.4 mt-30 -160.51 121.9 3.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.25 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -106.74 151.14 25.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -84.82 126.42 33.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.046 HD21 HD13 ' A' ' 32' ' ' ILE . 4.8 mt -78.91 144.66 34.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.47 167.14 1.39 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.16 20.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.798 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -96.89 -27.41 14.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.504 HD22 HD13 ' A' ' 81' ' ' LEU . 7.8 tp -92.46 -47.55 7.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -44.82 -28.74 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.58 -30.12 13.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 18' ' ' LEU . 14.4 tp -58.85 -61.4 2.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.4 mt -81.48 -34.08 31.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.16 17.3 43.76 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.474 ' O ' HD12 ' A' ' 14' ' ' LEU . 8.9 mt -100.26 105.69 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -53.67 -67.04 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.612 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.427 HG22 ' OE1' ' A' ' 11' ' ' GLN . 1.6 m -151.3 121.37 7.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.744 ' CG ' HG11 ' A' ' 31' ' ' VAL . 1.9 mp0 -138.96 -171.31 3.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 1.004 HG22 ' O ' ' A' ' 10' ' ' PRO . 36.2 p -81.44 -167.29 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.576 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 11.0 ttp180 -83.61 -47.22 0.77 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.01 -4.51 15.52 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.744 HG11 ' CG ' ' A' ' 27' ' ' GLN . 47.0 t -100.83 -23.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.046 HD13 HD21 ' A' ' 14' ' ' LEU . 92.4 mt -95.66 -47.75 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.519 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.3 tt -48.94 -45.59 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 37' ' ' TRP . 7.8 mm100 -64.88 -61.18 2.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.52 -31.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.5 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.9 tp -78.55 -50.68 11.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.519 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 84.1 m95 -52.86 -46.33 67.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -58.41 -15.53 11.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 5.2 t80 -85.07 -47.62 10.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.537 HG21 ' HE1' ' A' ' 71' ' ' PHE . 47.9 mt -67.34 -24.42 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.24 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.77 -50.41 8.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.4 m -69.51 -43.82 72.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.386 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.443 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 2.5 m80 -82.94 -3.38 57.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.61 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.2 mttt 44.69 58.13 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.627 HD13 HD12 ' A' ' 60' ' ' LEU . 33.0 mt -82.23 0.83 39.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -51.4 131.55 28.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 50' ' ' GLU . 31.0 t70 -65.77 129.96 94.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -16.39 20.3 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.537 1.809 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.15 -55.56 4.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.572 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' A' ' 47' ' ' ASP . 3.5 mm-40 -109.04 -174.77 2.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.452 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -119.13 -16.21 9.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.593 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 7.9 pm0 -99.05 -19.81 17.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.593 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 53.0 m-85 -89.22 169.09 11.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.613 ' CG1' HD11 ' A' ' 74' ' ' ILE . 1.3 p -149.41 123.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.472 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 4.1 mt -80.76 114.55 19.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.5 m -63.89 141.72 58.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.52 ' OD1' HD12 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -78.52 173.74 12.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.496 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 4.8 ptpt -45.67 -41.0 9.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.496 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 11.3 m-85 -68.23 -62.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.981 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.627 HD12 HD13 ' A' ' 45' ' ' LEU . 78.4 mt -51.94 -40.34 60.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -58.06 -20.44 39.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.84 -13.16 20.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.1 mt -101.94 -60.82 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.601 ' CE2' HD22 ' A' ' 60' ' ' LEU . 37.7 m-85 -75.08 -36.98 61.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.95 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 68.86 30.34 4.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.89 100.74 6.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -51.27 -43.16 61.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.472 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 11.9 ttt180 -141.65 122.96 14.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.9 ptm -139.37 166.34 24.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -89.41 143.32 26.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.587 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.4 m-85 -52.22 -34.17 44.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.28 -12.27 60.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.026 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -95.37 3.29 54.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.613 HD11 ' CG1' ' A' ' 54' ' ' VAL . 2.1 mm -76.12 -46.15 3.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.03 -11.22 21.42 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -91.8 -16.87 26.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.25 -16.05 15.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 78' ' ' LEU . 7.8 mt -67.01 -36.95 83.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -45.21 -32.5 1.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.585 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.22 -47.22 36.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.504 HD13 HD22 ' A' ' 18' ' ' LEU . 8.9 mt -70.89 -13.38 62.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 78' ' ' LEU . 84.7 mt -101.62 111.24 23.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 78.5 mtm -111.15 159.8 31.42 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 117.66 4.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.535 1.808 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 54.87 3.78 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.446 ' C ' ' H ' ' A' ' 88' ' ' SER . 11.8 mt-10 -130.61 154.94 81.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 40.79 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.457 1.767 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.446 ' H ' ' C ' ' A' ' 86' ' ' GLU . 5.1 t -172.05 120.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.048 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -158.23 -173.45 26.67 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -41.96 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.452 1.764 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 44.79 85.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.998 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.2 m -112.46 137.68 50.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.964 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.3 m -151.18 113.0 4.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.75 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.81 159.55 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.54 -105.21 0.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.74 169.2 9.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.2 t -140.58 103.75 4.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.964 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.29 -98.74 2.16 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -83.1 131.57 53.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.272 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 161.51 38.53 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.548 ' O ' HG22 ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.04 157.87 42.35 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.477 1.777 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -159.74 109.4 1.85 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -101.35 151.81 21.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 tmmt? -83.87 128.31 34.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.968 HD21 HD13 ' A' ' 32' ' ' ILE . 4.1 mt -81.37 144.2 31.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.502 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -54.73 167.24 0.63 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -17.11 19.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.459 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 25.7 mtm180 -97.21 -26.91 14.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.44 HD22 HD13 ' A' ' 81' ' ' LEU . 6.2 tp -92.15 -45.1 8.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -40.97 -33.11 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.459 ' NE ' ' HA ' ' A' ' 17' ' ' ARG . 25.2 ptt180 -93.47 -38.62 11.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.2 tp -48.06 -59.57 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.2 mt -86.65 -30.0 22.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.93 0.88 63.57 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.593 ' O ' HD12 ' A' ' 14' ' ' LEU . 23.2 mt -86.58 113.68 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -72.7 -56.64 4.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.604 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.1 m -152.6 112.11 3.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.39 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.624 ' HG2' HG11 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -139.16 -179.08 5.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.591 ' OG1' HG23 ' A' ' 31' ' ' VAL . 18.6 p -71.88 -179.03 2.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.615 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.8 ttt180 -78.6 -44.29 1.97 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.96 -5.79 17.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.624 HG11 ' HG2' ' A' ' 27' ' ' GLN . 39.2 t -98.67 -35.62 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.968 HD13 HD21 ' A' ' 14' ' ' LEU . 65.5 mt -79.31 -52.52 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.582 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.3 tt -44.09 -41.55 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.416 ' C ' ' N ' ' A' ' 36' ' ' LEU . 14.9 mm-40 -67.3 -61.03 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -42.31 -28.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.516 HD21 ' CG2' ' A' ' 74' ' ' ILE . 6.0 tp -81.57 -50.55 9.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.582 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 79.4 m95 -52.57 -45.05 66.29 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -60.53 -14.24 18.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.502 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 5.8 t80 -86.02 -46.66 10.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.538 HG21 ' HE1' ' A' ' 71' ' ' PHE . 67.3 mt -68.99 -23.65 27.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -48.39 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.7 m -71.91 -43.27 65.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.427 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 1.8 m80 -83.82 2.17 39.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.093 . . . . 0.0 109.583 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 43' ' ' HIS . 2.0 mmpt? 39.46 60.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.643 HD13 HD12 ' A' ' 60' ' ' LEU . 45.9 mt -85.53 2.06 46.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.475 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.2 tm0? -51.63 127.86 21.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 50' ' ' GLU . 28.9 t70 -63.59 130.48 94.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -19.16 18.13 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.439 1.757 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.96 -54.91 6.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.588 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.519 ' CB ' ' CD1' ' A' ' 53' ' ' PHE . 4.1 mm-40 -108.66 -173.27 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.475 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -119.22 -10.47 9.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.614 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -109.41 -14.71 14.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 12.1 m-85 -88.28 167.68 13.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.655 ' CG1' HD11 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -147.77 119.81 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.481 HD21 ' HG3' ' A' ' 68' ' ' ARG . 12.8 mt -78.69 110.07 13.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 35.5 m -61.94 133.63 55.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 108.306 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.536 ' OD1' HD12 ' A' ' 60' ' ' LEU . 9.4 p-10 -72.68 178.57 4.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -48.3 -48.55 35.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 8.0 m-30 -59.21 -63.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.643 HD12 HD13 ' A' ' 45' ' ' LEU . 94.3 mt -51.67 -40.95 60.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -56.32 -21.13 22.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.88 -13.58 21.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.494 HG23 HD22 ' A' ' 81' ' ' LEU . 15.3 mt -101.87 -61.35 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.541 ' CE2' HD22 ' A' ' 60' ' ' LEU . 34.2 m-85 -75.86 -41.96 50.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 71.26 32.07 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.341 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' GLN . 0.4 OUTLIER -126.84 91.76 3.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.962 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -38.42 -49.63 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.481 ' HG3' HD21 ' A' ' 55' ' ' LEU . 8.8 ttp180 -141.29 124.81 16.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.512 ' CE ' HD13 ' A' ' 74' ' ' ILE . 1.6 ptm -138.36 165.56 26.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 1.2 mttt -86.89 144.42 26.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.614 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 2.4 m-85 -52.57 -28.45 21.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.18 -11.62 59.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -96.14 2.88 53.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.338 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.655 HD11 ' CG1' ' A' ' 54' ' ' VAL . 2.3 mm -76.36 -45.26 3.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.03 -11.49 21.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.42 1.747 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -92.87 -14.86 27.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.489 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -106.08 -14.1 15.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 78' ' ' LEU . 7.8 mt -69.01 -37.49 78.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -45.59 -28.74 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.611 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.55 -44.3 29.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.494 HD22 HG23 ' A' ' 63' ' ' ILE . 8.1 mt -75.41 -12.01 60.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 78' ' ' LEU . 78.0 mt -102.29 119.17 38.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.407 ' CE ' ' HA ' ' A' ' 15' ' ' ASP . 57.7 mtm -122.84 159.54 53.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 115.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -177.95 3.84 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.52 1.8 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.458 ' C ' ' H ' ' A' ' 88' ' ' SER . 3.2 pt-20 -107.35 156.11 38.27 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 40.61 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.458 ' H ' ' C ' ' A' ' 86' ' ' GLU . 84.8 p -176.27 86.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -95.2 156.26 21.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -57.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.473 1.775 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 74.8 m -64.15 104.31 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.8 p -116.0 161.77 18.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.049 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.573 1.17 . . . . 0.0 111.043 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 p -143.57 145.31 32.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 110.019 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -130.87 146.86 52.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.017 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.08 120.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.5 p -158.82 93.82 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 109.961 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m -94.68 143.22 26.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.75 -136.51 3.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.418 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 8.4 mt-30 -52.11 140.53 32.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.559 0.799 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 8' ' ' GLN . 18.0 Cg_endo -75.06 170.63 19.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.532 1.806 . . . . 0.0 110.988 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.42 ' O ' HG22 ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.99 140.51 25.56 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.51 1.795 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 27' ' ' GLN . 21.0 mt-30 -146.11 113.84 6.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -105.18 144.15 32.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -78.42 131.6 36.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.783 HD21 HD13 ' A' ' 32' ' ' ILE . 5.7 mt -84.96 146.01 27.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -55.5 167.62 0.72 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -15.57 20.73 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.434 ' NH2' ' OD2' ' A' ' 15' ' ' ASP . 26.9 mtm180 -97.15 -28.21 14.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.683 HD22 HD13 ' A' ' 81' ' ' LEU . 7.6 tp -91.97 -48.18 6.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.48 -31.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' N ' ' C ' ' A' ' 18' ' ' LEU . 8.7 mtt180 -93.37 -46.56 7.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.34 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.477 ' HA ' HD12 ' A' ' 21' ' ' LEU . 10.6 tp -40.71 -59.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 mt -87.31 -29.73 21.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.47 -6.21 71.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.455 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.7 mt -75.24 106.4 4.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 0.744 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -63.77 -55.43 23.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.614 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 93.2 m -157.44 110.79 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.738 ' HG2' HG11 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -130.52 -169.28 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.535 ' OG1' HG23 ' A' ' 31' ' ' VAL . 37.0 p -83.09 -177.12 6.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.409 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.619 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 46.9 ttp85 -79.57 -43.84 1.6 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.09 -5.83 17.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.738 HG11 ' HG2' ' A' ' 27' ' ' GLN . 38.1 t -99.31 -44.11 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.783 HD13 HD21 ' A' ' 14' ' ' LEU . 45.4 mt -68.25 -49.49 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.587 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.2 tt -48.77 -44.53 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' TRP . 15.4 mm100 -68.62 -61.21 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.44 -30.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.545 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.7 tp -81.02 -49.29 11.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 65.6 m95 -52.71 -43.12 65.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 107.99 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -62.01 -12.88 21.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.524 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 6.3 t80 -85.66 -48.97 8.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.552 ' CD1' HG21 ' A' ' 54' ' ' VAL . 42.5 mt -67.01 -24.75 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.47 -52.04 7.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.8 m -67.44 -43.14 81.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.439 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 44' ' ' LYS . 2.7 m80 -84.36 2.51 40.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.621 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' HIS . 22.2 mttt 39.0 58.11 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.69 HD13 HD12 ' A' ' 60' ' ' LEU . 88.2 mt -85.76 3.09 42.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.463 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.4 tt0 -51.16 133.52 27.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' A' ' 50' ' ' GLU . 64.1 t0 -65.95 125.66 90.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.423 ' HD2' ' OD1' ' A' ' 47' ' ' ASP . 18.2 Cg_endo -75.01 -10.58 21.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.779 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.468 ' CB ' ' OE2' ' A' ' 50' ' ' GLU . 1.7 m-70 -83.04 -48.79 10.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.468 ' OE2' ' CB ' ' A' ' 49' ' ' HIS . 13.1 mp0 -119.95 -171.77 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.463 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 4.9 mmt-85 -119.96 -10.56 9.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.61 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 3.0 pm0 -107.29 -13.48 15.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.61 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 57.7 m-85 -96.14 167.43 11.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.758 HG11 HD11 ' A' ' 74' ' ' ILE . 0.7 OUTLIER -145.22 130.26 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.46 HD21 ' HG3' ' A' ' 68' ' ' ARG . 6.1 mt -87.71 109.28 19.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 88.4 m -62.38 130.68 46.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 108.323 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.545 ' OD2' ' CD2' ' A' ' 59' ' ' TYR . 20.2 p-10 -68.61 -169.41 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -65.8 -33.3 75.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.545 ' CD2' ' OD2' ' A' ' 57' ' ' ASP . 12.4 m-30 -72.85 -52.55 14.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.69 HD12 HD13 ' A' ' 45' ' ' LEU . 87.1 mt -62.54 -37.66 86.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -57.69 -18.93 23.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -99.23 -13.5 19.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.437 HG23 ' CD2' ' A' ' 81' ' ' LEU . 12.2 mt -102.29 -59.69 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.533 ' CE2' HD22 ' A' ' 60' ' ' LEU . 42.1 m-85 -79.76 -40.18 29.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 70.69 29.92 3.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.66 94.74 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -42.37 -47.68 4.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' HG3' HD21 ' A' ' 55' ' ' LEU . 5.4 ttp180 -141.11 122.37 14.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.444 ' HE3' HG12 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.36 168.45 19.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 111.001 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.545 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 4.4 mttt -86.63 145.75 26.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.7 m-85 -54.49 -30.82 54.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.419 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 0.6 OUTLIER -76.74 -10.35 59.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.055 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -95.52 3.21 54.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.758 HD11 HG11 ' A' ' 54' ' ' VAL . 7.7 mt -77.89 -45.52 2.36 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.97 -12.12 21.57 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.516 1.798 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -89.64 -17.28 28.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.461 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -105.68 -8.66 17.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.297 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.861 HD23 HD12 ' A' ' 81' ' ' LEU . 8.4 mt -74.07 -36.53 64.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -43.06 -33.57 0.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.603 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.5 -44.96 33.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.861 HD12 HD23 ' A' ' 78' ' ' LEU . 13.9 mt -71.24 -10.84 60.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' LEU . 38.8 mt -106.07 112.85 26.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.371 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 66.1 mtm -117.86 158.91 44.58 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 115.42 4.27 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -173.76 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.788 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.71 157.97 75.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.2 m 50.0 89.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -160.92 164.05 34.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.564 1.165 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 116.03 4.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.4 p -150.58 134.06 16.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.979 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.39 157.4 16.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.981 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.21 167.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 110.005 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 t 179.63 148.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.21 172.81 38.41 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.556 1.16 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 m -139.17 133.29 31.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 0.734 . . . . 0.0 109.937 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 t -171.63 159.81 5.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 110.0 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.03 -94.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -73.54 149.38 88.53 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.466 0.745 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 163.57 34.96 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 110.97 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.706 ' O ' HG22 ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.97 162.37 37.3 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.496 1.787 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -160.96 107.66 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -101.61 155.16 18.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -86.61 138.67 31.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.366 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.894 HD12 ' O ' ' A' ' 24' ' ' ILE . 3.9 mt -89.0 144.36 26.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.514 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -55.99 167.75 0.81 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -17.19 19.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' HB3' HD11 ' A' ' 63' ' ' ILE . 23.4 mtm180 -97.35 -26.77 14.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.422 HD22 HD13 ' A' ' 81' ' ' LEU . 6.4 tp -92.2 -45.2 8.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -39.95 -33.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.28 -41.45 9.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.401 ' CD2' HD12 ' A' ' 18' ' ' LEU . 11.9 tp -45.31 -57.51 3.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 mt -87.16 -34.56 19.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.55 -4.57 54.16 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.543 1.152 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.894 ' O ' HD12 ' A' ' 14' ' ' LEU . 33.6 mt -95.16 127.0 47.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.764 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -90.5 -57.55 2.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.638 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.423 ' O ' ' OE1' ' A' ' 27' ' ' GLN . 45.3 m -130.74 126.54 36.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.403 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.824 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -160.07 171.67 18.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.706 HG22 ' O ' ' A' ' 10' ' ' PRO . 72.9 p -67.9 -174.31 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.662 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 6.9 ttp-105 -83.71 -42.1 0.79 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.95 -4.77 15.9 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.492 1.785 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.824 HG11 ' CG ' ' A' ' 27' ' ' GLN . 11.8 t -100.61 -32.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.495 HG21 HD21 ' A' ' 82' ' ' LEU . 59.1 mt -82.13 -53.96 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.58 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 0.7 OUTLIER -44.23 -46.83 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' LEU . 61.2 mm-40 -65.59 -61.6 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.12 -30.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.24 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.615 HD21 ' CG2' ' A' ' 74' ' ' ILE . 7.4 tp -80.48 -52.39 7.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.58 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 92.5 m95 -52.2 -45.35 65.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 108.005 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -59.17 -14.62 11.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.575 ' CE1' ' CD2' ' A' ' 43' ' ' HIS . 5.2 t80 -86.11 -48.3 8.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.596 HG21 ' HE1' ' A' ' 71' ' ' PHE . 24.1 mt -67.77 -23.74 29.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.97 -49.77 10.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -72.13 -46.87 54.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.394 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.575 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 1.2 m80 -78.6 -0.26 29.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.612 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt 41.04 59.73 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.721 HD13 HD12 ' A' ' 60' ' ' LEU . 78.5 mt -84.58 0.52 49.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.453 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -51.95 128.48 24.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' O ' ' A' ' 50' ' ' GLU . 35.1 t70 -61.22 131.16 92.07 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -12.15 21.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.69 -56.12 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.607 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 47' ' ' ASP . 5.1 mm-40 -112.67 171.68 7.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.453 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 6.7 mmt180 -107.39 -11.88 15.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.608 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 6.7 pm0 -98.57 -22.38 16.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.608 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 64.2 m-85 -90.75 168.47 11.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.737 HG11 HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -147.63 123.58 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.478 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 4.9 mt -81.83 106.42 13.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 21.3 m -61.3 133.35 55.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 108.28 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 4.1 p-10 -73.69 166.54 23.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.22 -32.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.416 ' N ' ' C ' ' A' ' 57' ' ' ASP . 10.1 m-30 -70.83 -66.76 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.721 HD12 HD13 ' A' ' 45' ' ' LEU . 96.9 mt -57.23 -30.23 64.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -64.72 -18.63 65.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.36 -15.04 18.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.403 HD11 ' HB3' ' A' ' 17' ' ' ARG . 6.7 mt -101.74 -59.3 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.585 ' CE1' HD22 ' A' ' 60' ' ' LEU . 34.5 m-85 -76.4 -36.43 58.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 66.81 30.7 7.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.61 96.08 4.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.952 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 68' ' ' ARG . 11.5 pt20 -46.39 -45.29 17.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 16.6 ttt180 -145.2 122.32 11.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 110.25 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.644 ' SD ' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.91 167.99 20.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.599 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -85.37 140.78 30.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.598 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 2.3 m-85 -52.14 -31.88 33.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -12.88 61.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.097 . . . . 0.0 109.992 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -95.43 4.79 52.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.737 HD11 HG11 ' A' ' 54' ' ' VAL . 1.6 mm -76.07 -46.37 3.75 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.99 -11.43 21.49 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.469 1.773 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -92.12 -15.32 27.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.478 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -104.82 -14.92 15.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 78' ' ' LEU . 9.1 mt -67.66 -37.37 82.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -44.15 -32.18 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.594 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.55 -48.32 22.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.447 HD11 ' CE1' ' A' ' 64' ' ' PHE . 9.4 mt -68.36 -13.48 62.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.495 HD21 HG21 ' A' ' 32' ' ' ILE . 81.8 mt -101.56 119.94 39.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 62.1 mtm -120.48 160.88 42.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 113.56 3.82 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 177.52 8.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -100.92 147.93 34.37 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -30.57 7.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.532 1.806 . . . . 0.0 111.004 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.08 -49.1 43.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.026 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.7 -151.46 18.26 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 167.99 25.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.552 1.817 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.63 -70.83 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.049 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 m 62.39 100.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.032 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.941 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 p -166.26 132.48 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 p -164.32 -58.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.24 112.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.45 124.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -177.48 170.8 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.24 134.14 13.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 40.48 66.42 3.4 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 173.04 15.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.995 ' O ' HG22 ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.99 170.93 19.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.487 1.783 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -161.76 115.52 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -100.16 157.65 16.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -91.19 129.52 37.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.815 HD21 HD13 ' A' ' 32' ' ' ILE . 6.3 mt -80.21 148.37 30.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -59.25 166.7 2.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -15.65 20.8 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.564 1.823 . . . . 0.0 111.028 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.26 -28.14 14.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.693 HD22 HD13 ' A' ' 81' ' ' LEU . 6.5 tp -92.06 -46.71 7.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.12 -30.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.45 ' N ' ' C ' ' A' ' 18' ' ' LEU . 1.3 mtt180 -94.53 -45.18 7.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.501 HD23 HD12 ' A' ' 18' ' ' LEU . 16.3 tp -40.54 -60.75 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.4 mt -85.39 -37.4 19.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.91 13.86 44.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.601 ' O ' HD12 ' A' ' 14' ' ' LEU . 11.0 mt -94.19 99.74 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -50.81 -62.94 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.599 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -157.12 119.8 3.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.375 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.721 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -138.59 -168.36 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.995 HG22 ' O ' ' A' ' 10' ' ' PRO . 34.4 p -83.47 -166.96 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.565 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 11.4 ttp180 -83.54 -47.85 0.76 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.02 -5.39 16.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.721 HG11 ' CG ' ' A' ' 27' ' ' GLN . 48.1 t -99.79 -24.66 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.815 HD13 HD21 ' A' ' 14' ' ' LEU . 68.2 mt -94.78 -54.03 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.604 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.0 OUTLIER -42.45 -41.94 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' LEU . 45.1 mm-40 -66.04 -60.15 3.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.04 -29.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.596 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 5.7 tp -81.39 -52.28 7.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 90.0 m95 -52.49 -45.49 66.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -61.87 -12.72 19.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.5 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 4.7 t80 -87.98 -49.9 6.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.54 HG21 ' HE1' ' A' ' 71' ' ' PHE . 21.6 mt -68.11 -20.62 25.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.85 -47.85 10.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -74.31 -44.6 51.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 44' ' ' LYS . 1.5 m80 -80.43 2.9 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.618 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' HIS . 10.7 mmtt 39.27 60.09 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.73 HD13 HD12 ' A' ' 60' ' ' LEU . 90.7 mt -87.36 0.05 56.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.476 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.8 tt0 -52.04 128.37 24.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' O ' ' A' ' 50' ' ' GLU . 27.9 t70 -58.41 129.42 83.8 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -11.98 21.44 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.33 -54.35 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.618 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.2 mm-40 -113.89 -175.4 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.476 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 7.2 mmt180 -116.38 -15.29 10.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.627 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 4.5 pm0 -98.39 -21.32 16.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.627 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 52.9 m-85 -88.43 165.49 14.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.633 HG11 HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -146.5 124.99 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.483 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 3.6 mt -84.4 108.08 17.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 56.2 m -61.05 131.79 51.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 108.304 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.19 -178.84 2.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.52 -56.95 6.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.508 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 4.4 m-30 -53.4 -62.6 1.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.73 HD12 HD13 ' A' ' 45' ' ' LEU . 85.0 mt -50.69 -42.86 57.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -58.14 -16.9 15.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.19 -14.73 19.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.492 HG23 HD21 ' A' ' 81' ' ' LEU . 8.8 mt -102.95 -59.15 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.559 ' CE2' HD22 ' A' ' 60' ' ' LEU . 58.9 m-85 -83.15 -38.17 22.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 65.35 28.39 11.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 77.4 p -111.85 89.72 3.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -41.66 -44.78 3.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.483 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 28.8 ttt180 -149.37 121.25 8.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -140.51 169.05 18.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.617 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -87.91 143.43 27.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.597 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.5 m-85 -53.69 -28.87 36.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.9 t -74.8 -11.71 60.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -95.76 3.82 53.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.633 HD11 HG11 ' A' ' 54' ' ' VAL . 1.5 mm -75.95 -45.82 3.88 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.97 -11.12 21.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.769 . . . . 0.0 111.027 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -92.95 -13.66 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.31 -16.39 14.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.599 HD23 HD12 ' A' ' 81' ' ' LEU . 8.1 mt -67.58 -39.35 84.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -42.42 -35.29 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.604 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.44 -51.4 29.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.693 HD13 HD22 ' A' ' 18' ' ' LEU . 23.1 mt -65.43 -18.73 65.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 78' ' ' LEU . 86.9 mt -95.74 114.42 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 75.9 mtm -114.6 161.28 29.58 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 113.76 3.86 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.85 3.78 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -144.09 157.74 56.66 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.91 92.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 168.01 163.79 22.56 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 158.59 42.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 57.2 p -104.81 -57.11 2.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.24 126.17 30.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.432 1.082 . . . . 0.0 110.969 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.425 ' HG3' HG22 ' A' ' 28' ' ' THR . 2.7 mt-30 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.487 ' CE1' ' HB2' ' A' ' 29' ' ' ARG . 23.4 m-85 -120.7 144.61 48.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.418 ' NZ ' ' HA ' ' A' ' 85' ' ' PRO . 3.8 ttpm? -80.05 130.36 35.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.03 HD21 HD13 ' A' ' 32' ' ' ILE . 6.4 mt -84.64 145.83 27.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -55.02 167.66 0.62 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -16.9 20.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.572 1.827 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.95 -27.5 14.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.61 HD22 HD13 ' A' ' 81' ' ' LEU . 7.3 tp -91.65 -46.59 7.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.83 -30.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.429 ' N ' ' C ' ' A' ' 18' ' ' LEU . 27.6 mtt85 -95.57 -44.61 7.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.49 HD22 ' CD1' ' A' ' 63' ' ' ILE . 13.9 tp -41.25 -59.26 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 mt -87.43 -35.23 18.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.79 12.67 52.59 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.472 ' O ' HD12 ' A' ' 14' ' ' LEU . 19.5 mt -91.59 99.22 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -50.37 -62.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.582 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 m -157.36 114.67 3.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.42 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.531 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -135.26 -173.0 3.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.575 ' OG1' HG23 ' A' ' 31' ' ' VAL . 24.6 p -79.33 -177.48 5.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.418 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.609 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 2.8 ttt180 -78.42 -44.89 2.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.91 -6.2 17.79 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.575 HG23 ' OG1' ' A' ' 28' ' ' THR . 43.8 t -99.55 -31.54 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.03 HD13 HD21 ' A' ' 14' ' ' LEU . 63.4 mt -84.6 -53.35 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.446 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.7 tt -41.43 -43.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.356 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 37' ' ' TRP . 16.3 mm-40 -65.3 -62.51 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.47 -29.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 5.9 tp -80.75 -51.08 9.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.446 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 69.0 m95 -52.55 -43.98 65.53 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.434 ' HA ' ' NE2' ' A' ' 38' ' ' GLN . 10.7 tp60 -60.93 -13.63 17.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.601 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.3 t80 -86.11 -47.3 9.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.502 HG21 ' HE1' ' A' ' 71' ' ' PHE . 47.8 mt -68.05 -23.63 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.91 -49.61 9.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.9 m -71.17 -43.88 66.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.419 1.074 . . . . 0.0 110.392 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.601 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.3 m-70 -83.31 0.73 44.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.599 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 43' ' ' HIS . 8.7 mttt 39.66 58.09 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.759 HD13 HD12 ' A' ' 60' ' ' LEU . 89.7 mt -82.6 1.57 37.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.468 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.2 tt0 -52.01 127.83 22.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' A' ' 50' ' ' GLU . 31.1 t70 -57.92 129.88 82.35 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -11.34 21.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.786 . . . . 0.0 111.043 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.513 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -88.01 -55.08 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.631 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' A' ' 47' ' ' ASP . 5.2 mm-40 -111.02 175.23 5.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.468 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 31.2 mtt180 -112.19 -5.05 14.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.606 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 4.1 pm0 -107.48 -20.91 13.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.606 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 62.0 m-85 -90.63 167.69 12.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.654 ' CG1' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -146.55 121.46 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.475 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 3.7 mt -80.97 113.38 19.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 18.3 m -63.9 133.38 53.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 108.358 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.96 179.77 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -48.27 -51.44 25.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.524 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 3.8 m-30 -59.64 -60.14 4.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.759 HD12 HD13 ' A' ' 45' ' ' LEU . 54.0 mt -51.84 -42.79 62.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -58.03 -17.74 19.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -99.2 -14.41 19.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.49 ' CD1' HD22 ' A' ' 21' ' ' LEU . 10.8 mt -102.54 -57.81 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.592 ' CE2' HD22 ' A' ' 60' ' ' LEU . 46.7 m-85 -79.61 -39.59 31.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 111.042 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 68.63 31.12 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.65 95.59 4.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -43.45 -46.97 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.475 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 14.9 ttt180 -142.69 124.57 15.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -139.2 166.34 24.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.584 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -86.48 144.18 27.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 3.8 m-85 -53.52 -28.75 32.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.403 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 9.2 t -79.4 -11.12 59.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.016 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -96.18 1.39 52.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.24 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.654 HD11 ' CG1' ' A' ' 54' ' ' VAL . 2.3 mm -74.8 -45.29 5.21 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.99 -11.7 21.5 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -87.81 -16.69 33.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.2 -16.82 14.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.574 HD23 HD12 ' A' ' 81' ' ' LEU . 9.3 mt -65.51 -43.47 89.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.458 ' CD2' ' O ' ' A' ' 75' ' ' PRO . 98.7 m-70 -41.56 -36.21 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.57 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.05 -50.84 37.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.61 HD13 HD22 ' A' ' 18' ' ' LEU . 23.4 mt -64.33 -26.39 68.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 78' ' ' LEU . 80.4 mt -88.12 121.36 30.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 55.1 mtm -123.05 158.51 57.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 113.65 3.84 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.46 1.768 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 13' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.479 1.779 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.437 ' HB2' HD22 ' A' ' 82' ' ' LEU . 37.1 m-85 -109.05 149.63 28.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -81.83 137.13 35.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.973 HD21 HD13 ' A' ' 32' ' ' ILE . 4.6 mt -88.3 145.37 25.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.49 166.95 1.46 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -16.32 20.27 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -97.29 -27.26 14.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.639 HD22 HD13 ' A' ' 81' ' ' LEU . 7.3 tp -92.34 -46.63 7.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.28 -29.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.442 ' N ' ' C ' ' A' ' 18' ' ' LEU . 16.9 mtt-85 -94.98 -48.22 6.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.2 tp -40.32 -60.51 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.9 mt -82.76 -38.36 23.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.39 6.51 56.56 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.615 ' O ' HD12 ' A' ' 14' ' ' LEU . 9.2 mt -88.68 109.49 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.767 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -63.19 -61.35 2.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.565 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 m -154.6 115.22 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.427 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.727 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -136.85 -166.97 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.576 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 34.3 p -84.77 -167.08 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.424 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.568 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 12.0 ttp85 -82.88 -47.73 0.83 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.02 -4.77 15.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.534 1.807 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.727 HG11 ' CG ' ' A' ' 27' ' ' GLN . 51.0 t -100.5 -27.45 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.973 HD13 HD21 ' A' ' 14' ' ' LEU . 86.0 mt -91.0 -44.23 14.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' A' ' 75' ' ' PRO . 2.4 tt -54.88 -41.82 59.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.415 ' C ' ' N ' ' A' ' 36' ' ' LEU . 91.0 mm-40 -64.48 -57.91 7.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.79 -26.27 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.738 HD21 ' CG2' ' A' ' 74' ' ' ILE . 6.1 tp -84.26 -49.55 8.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.432 ' HZ3' ' CD1' ' A' ' 71' ' ' PHE . 72.3 m95 -54.4 -44.29 72.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 108.021 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -62.17 -12.79 21.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.545 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.4 t80 -86.96 -47.63 8.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.536 HG21 ' HE1' ' A' ' 71' ' ' PHE . 37.6 mt -69.01 -21.94 25.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -84.1 -47.98 10.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.3 m -73.25 -41.91 63.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.441 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.545 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.2 m-70 -85.05 1.52 47.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.583 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 43' ' ' HIS . 11.7 mmtt 38.85 60.06 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.699 HD13 HD12 ' A' ' 60' ' ' LEU . 82.9 mt -84.64 1.5 45.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.47 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -51.88 129.01 25.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' A' ' 50' ' ' GLU . 30.2 t70 -59.28 129.6 86.65 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -12.62 21.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.545 1.813 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.52 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -85.98 -53.88 4.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.59 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 47' ' ' ASP . 6.0 mm-40 -110.35 -175.58 2.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.1 -13.82 9.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.596 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 7.0 pm0 -100.95 -21.44 15.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.587 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 45.5 m-85 -86.35 166.46 15.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.642 HG11 HD11 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -146.26 119.2 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.525 HD21 ' HG3' ' A' ' 68' ' ' ARG . 11.7 mt -79.55 105.54 10.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 36.0 m -56.61 137.55 53.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 108.235 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.08 179.4 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -56.52 -33.84 66.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.421 ' N ' ' HG2' ' A' ' 58' ' ' LYS . 14.0 m-85 -73.25 -52.67 13.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.699 HD12 HD13 ' A' ' 45' ' ' LEU . 91.8 mt -62.22 -39.63 93.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -56.63 -19.62 17.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -99.3 -13.53 19.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.483 HG23 ' CD2' ' A' ' 81' ' ' LEU . 12.9 mt -101.65 -59.9 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.548 ' CE1' HD22 ' A' ' 60' ' ' LEU . 33.6 m-85 -76.03 -37.73 58.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 69.48 30.16 4.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.453 ' OG ' ' NH1' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -126.77 93.55 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -41.45 -48.91 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.525 ' HG3' HD21 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -141.64 122.95 14.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.54 ' HE2' HD13 ' A' ' 74' ' ' ILE . 1.2 ptm -138.1 162.7 33.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.585 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -82.56 144.58 30.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 3.7 m-85 -53.45 -25.99 18.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.0 -12.1 60.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -96.44 2.97 53.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.738 ' CG2' HD21 ' A' ' 36' ' ' LEU . 2.9 mm -76.19 -45.33 3.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.98 -12.21 21.55 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -93.31 -15.4 25.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.509 ' HB3' ' CD2' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -103.38 -12.72 17.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.497 ' HA ' HD23 ' A' ' 78' ' ' LEU . 9.0 mt -70.46 -37.14 74.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -45.34 -33.12 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.674 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.47 -47.3 49.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.639 HD13 HD22 ' A' ' 18' ' ' LEU . 12.2 mt -71.86 -13.46 61.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.437 HD22 ' HB2' ' A' ' 12' ' ' PHE . 86.0 mt -99.84 117.12 33.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 59.6 mtm -118.11 158.7 45.57 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 115.73 4.38 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.447 1.761 . . . . 0.0 111.018 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.436 1.756 . . . . 0.0 111.001 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -104.74 150.82 24.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -82.46 130.75 35.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.977 HD21 HD13 ' A' ' 32' ' ' ILE . 5.4 mt -82.1 146.0 29.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.509 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.52 166.84 1.52 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.0 20.43 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -97.32 -27.53 14.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 21' ' ' LEU . 7.2 tp -92.14 -47.2 7.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -42.43 -30.1 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -95.36 -33.92 12.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.082 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' LEU . 12.7 tp -53.37 -61.08 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.7 mt -84.69 -29.62 25.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.66 9.23 63.04 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 111.029 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.515 ' O ' HD12 ' A' ' 14' ' ' LEU . 5.8 mt -88.71 107.05 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -58.76 -62.73 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.581 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 m -156.55 110.97 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.668 ' CG ' HG11 ' A' ' 31' ' ' VAL . 1.2 mp0 -129.63 -167.59 1.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.562 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 33.5 p -84.18 -167.14 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.569 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.5 ttp-105 -82.73 -47.65 0.86 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.98 -4.68 15.77 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.668 HG11 ' CG ' ' A' ' 27' ' ' GLN . 46.7 t -100.34 -29.37 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.977 HD13 HD21 ' A' ' 14' ' ' LEU . 83.5 mt -88.56 -45.21 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.48 HD11 ' HB3' ' A' ' 75' ' ' PRO . 1.8 tt -53.94 -42.65 54.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.427 ' C ' ' N ' ' A' ' 36' ' ' LEU . 42.9 mm-40 -64.72 -61.53 2.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.356 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -41.82 -28.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.527 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.9 tp -81.48 -50.38 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 75.3 m95 -52.93 -46.19 68.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 107.997 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -59.57 -14.91 15.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.709 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 4.8 t80 -85.54 -47.54 9.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.641 HG23 ' HB2' ' A' ' 45' ' ' LEU . 56.5 mt -66.18 -23.55 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -84.4 -51.39 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.5 m -68.82 -42.43 77.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.709 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.6 m-70 -85.14 2.3 44.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.588 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt 42.57 58.41 3.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.834 HD13 HD12 ' A' ' 60' ' ' LEU . 75.3 mt -80.84 -5.05 56.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.466 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -51.78 124.02 11.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.302 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 50' ' ' GLU . 32.9 t70 -56.26 130.68 75.18 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -12.74 21.48 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.761 . . . . 0.0 110.978 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.519 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -86.98 -54.49 4.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.585 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.0 mm-40 -109.26 -176.74 3.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.466 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 4.3 mmt-85 -118.97 -10.61 9.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.614 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 3.9 pm0 -103.59 -20.73 13.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.614 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 53.6 m-85 -88.65 168.23 12.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.681 HG11 HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -147.29 120.1 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.453 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 5.2 mt -81.8 105.54 13.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.0 m -57.45 132.82 54.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 108.316 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -68.11 178.67 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -49.23 -48.47 45.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.494 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 4.8 m-30 -60.05 -60.46 3.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.834 HD12 HD13 ' A' ' 45' ' ' LEU . 93.8 mt -53.24 -42.18 66.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -56.48 -18.56 11.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -99.3 -14.75 19.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.457 HG23 HD22 ' A' ' 81' ' ' LEU . 13.5 mt -101.68 -59.83 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.56 ' CE2' HD22 ' A' ' 60' ' ' LEU . 36.9 m-85 -75.39 -37.4 60.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 68.9 28.88 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.56 98.49 5.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -47.26 -44.65 23.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.453 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 29.3 ttp180 -142.32 123.86 14.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.261 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.567 ' CE ' HD13 ' A' ' 74' ' ' ILE . 2.3 ptm -138.99 165.38 27.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.576 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -86.25 143.84 27.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.611 ' HE1' HG21 ' A' ' 40' ' ' ILE . 3.9 m-85 -54.25 -29.01 45.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.7 t -77.39 -11.88 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -96.28 2.76 53.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.681 HD11 HG11 ' A' ' 54' ' ' VAL . 2.4 mm -75.66 -45.48 4.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.02 -11.57 21.45 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.461 1.769 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -93.16 -16.0 25.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.01 -18.13 15.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.548 HD23 HD12 ' A' ' 81' ' ' LEU . 8.2 mt -65.77 -39.81 91.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -43.17 -33.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.607 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.77 -47.59 37.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.548 HD12 HD23 ' A' ' 78' ' ' LEU . 14.4 mt -68.71 -16.9 63.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' LEU . 61.1 mt -96.1 124.15 39.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.441 ' CE ' ' HA ' ' A' ' 15' ' ' ASP . 40.7 mtm -120.59 158.55 51.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 113.41 3.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.466 1.772 . . . . 0.0 111.015 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 27' ' ' GLN . 11.1 mt-30 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -102.08 151.13 22.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.406 ' O ' ' SD ' ' A' ' 83' ' ' MET . 2.7 ttpp -86.22 125.32 33.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.745 HD21 HD13 ' A' ' 32' ' ' ILE . 5.0 mt -76.3 145.2 39.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.508 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -54.99 167.24 0.66 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.93 19.87 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.535 1.808 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -97.51 -27.06 14.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.527 HD22 HD13 ' A' ' 81' ' ' LEU . 6.7 tp -91.77 -45.65 8.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -39.37 -32.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.423 ' N ' ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -93.43 -47.87 6.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.5 tp -40.1 -60.51 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.8 mt -84.27 -38.65 20.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.66 7.88 58.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.555 1.159 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.633 ' O ' HD12 ' A' ' 14' ' ' LEU . 12.8 mt -89.6 96.52 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -50.82 -62.0 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.578 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 84.9 m -152.28 124.48 8.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.704 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -146.99 -171.19 3.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.563 ' OG1' HG23 ' A' ' 31' ' ' VAL . 32.0 p -81.14 -176.72 6.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.419 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.612 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.5 ttt180 -78.75 -44.48 1.9 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.99 -6.54 18.19 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.704 HG11 ' CG ' ' A' ' 27' ' ' GLN . 37.6 t -97.84 -36.85 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.745 HD13 HD21 ' A' ' 14' ' ' LEU . 53.1 mt -78.15 -50.31 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.593 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.4 tt -48.14 -40.24 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.424 ' C ' ' N ' ' A' ' 36' ' ' LEU . 3.3 mm100 -67.11 -61.03 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.02 -27.83 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.517 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.8 tp -82.67 -49.13 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.593 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 76.5 m95 -53.55 -44.3 69.14 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -12.67 24.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.628 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.2 t80 -86.52 -47.82 8.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.04 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.487 HG21 ' HE1' ' A' ' 71' ' ' PHE . 22.7 mt -68.26 -22.15 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.26 -48.6 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -72.17 -42.3 66.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.628 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 5.7 m-70 -84.59 3.41 36.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 38.86 59.11 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.693 HD13 HD12 ' A' ' 60' ' ' LEU . 83.7 mt -84.71 -0.97 55.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.461 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.3 tt0 -51.57 126.95 18.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 50' ' ' GLU . 27.3 t70 -58.56 128.47 83.33 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -11.47 21.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.52 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -86.5 -52.92 5.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 109.59 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.463 ' O ' ' O ' ' A' ' 47' ' ' ASP . 5.7 mm-40 -112.7 -176.0 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.461 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.34 -12.77 9.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.608 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 4.8 pm0 -101.26 -21.73 14.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.608 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 57.7 m-85 -88.01 167.21 13.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.615 HG11 HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -147.28 121.98 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.475 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 2.1 mt -81.94 110.05 16.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.3 m -59.6 141.13 55.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 108.294 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.77 176.53 6.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.552 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -51.89 -37.61 52.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.552 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 10.6 m-85 -71.53 -54.9 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.693 HD12 HD13 ' A' ' 45' ' ' LEU . 88.8 mt -58.69 -41.22 85.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -56.83 -18.27 12.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -99.54 -13.71 19.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 110.226 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.4 mt -101.94 -57.61 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.585 ' CE2' HD22 ' A' ' 60' ' ' LEU . 42.5 m-85 -79.03 -39.05 35.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 70.22 30.25 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.4 95.75 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -46.61 -44.26 18.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.475 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 14.9 ttt180 -144.9 123.16 12.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -139.67 166.42 24.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.6 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -86.63 142.93 27.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.545 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.4 m-85 -52.27 -31.91 34.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.403 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -74.34 -11.69 60.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -95.98 2.13 53.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.3 mm -75.53 -45.35 4.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.07 -11.2 21.35 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -93.0 -15.48 26.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.49 -15.97 14.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 78' ' ' LEU . 7.7 mt -67.65 -37.44 82.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -46.44 -29.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.581 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.44 -46.73 30.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.527 HD13 HD22 ' A' ' 18' ' ' LEU . 16.1 mt -70.76 -20.45 62.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.416 HD21 HG21 ' A' ' 32' ' ' ILE . 77.5 mt -94.23 113.76 25.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -112.65 157.48 40.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 111.011 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.5 3.81 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.542 1.812 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -103.92 152.54 21.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -83.01 127.24 33.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.0 HD21 HD13 ' A' ' 32' ' ' ILE . 4.9 mt -80.39 145.65 31.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.24 166.88 1.36 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -15.05 20.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.2 mtm-85 -97.52 -28.22 14.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.442 ' C ' ' N ' ' A' ' 20' ' ' ARG . 6.4 tp -91.92 -47.92 7.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.38 -29.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.442 ' N ' ' C ' ' A' ' 18' ' ' LEU . 1.2 ptt180 -95.82 -41.62 8.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 14.6 tp -45.57 -59.66 2.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.5 mt -87.4 -34.02 18.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.59 12.88 55.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.549 ' O ' HD12 ' A' ' 14' ' ' LEU . 11.3 mt -90.42 102.39 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -58.07 -59.27 5.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.589 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 54.4 m -156.01 114.85 3.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.461 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 0.7 OUTLIER -138.14 -176.06 4.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.6 ' OG1' HG23 ' A' ' 31' ' ' VAL . 16.3 p -74.74 179.39 4.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.627 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 23.2 ttp180 -78.07 -43.97 2.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.99 -6.01 17.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.6 HG23 ' OG1' ' A' ' 28' ' ' THR . 41.3 t -99.17 -37.04 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.0 HD13 HD21 ' A' ' 14' ' ' LEU . 58.2 mt -76.78 -49.18 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.571 HG13 HD12 ' A' ' 78' ' ' LEU . 1.4 tt -48.37 -39.92 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.411 ' C ' ' N ' ' A' ' 36' ' ' LEU . 1.6 mm100 -65.67 -58.9 4.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.02 -27.95 0.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.589 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 5.9 tp -82.97 -49.59 9.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.566 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 88.7 m95 -53.82 -48.13 70.19 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.447 ' HA ' ' NE2' ' A' ' 38' ' ' GLN . 13.5 tp60 -59.01 -15.79 14.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.487 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 5.1 t80 -84.04 -48.09 10.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.615 HG21 ' HE1' ' A' ' 71' ' ' PHE . 24.0 mt -67.25 -27.91 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -53.17 7.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.5 m -66.24 -44.92 82.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.378 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' LYS . 5.5 m-70 -84.07 1.85 42.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.555 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 43' ' ' HIS . 49.9 mttt 39.65 58.97 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.718 HD13 HD12 ' A' ' 60' ' ' LEU . 86.9 mt -82.0 0.34 40.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.466 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.1 tt0 -52.23 125.61 16.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.438 ' O ' ' O ' ' A' ' 50' ' ' GLU . 31.0 t70 -54.67 130.54 64.46 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -12.17 21.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.51 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -86.35 -53.08 5.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.628 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 47' ' ' ASP . 3.9 mm-40 -111.45 -173.07 2.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.466 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 10.0 mmt180 -120.23 -12.35 9.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.598 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 3.4 pm0 -102.16 -21.05 14.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.598 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 52.1 m-85 -86.97 164.4 16.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.753 HG11 HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -143.04 118.71 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.522 HD21 ' HG3' ' A' ' 68' ' ' ARG . 12.7 mt -79.12 98.5 6.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 12.4 m -54.84 135.33 47.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 108.241 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.545 ' OD2' ' CG ' ' A' ' 59' ' ' TYR . 5.0 p-10 -73.07 -178.92 3.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -50.31 -48.94 54.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.545 ' CG ' ' OD2' ' A' ' 57' ' ' ASP . 7.3 m-30 -58.11 -62.12 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.718 HD12 HD13 ' A' ' 45' ' ' LEU . 93.2 mt -54.07 -42.0 68.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -56.76 -19.75 18.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -98.83 -14.53 19.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.4 mt -102.0 -62.49 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.556 ' CE2' HD22 ' A' ' 60' ' ' LEU . 34.5 m-85 -73.03 -35.16 66.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 66.29 30.07 9.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.67 96.2 4.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -44.95 -46.17 10.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.247 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.522 ' HG3' HD21 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -146.3 121.95 10.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.275 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.498 ' CE ' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.73 167.61 21.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -85.98 143.8 27.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.615 ' HE1' HG21 ' A' ' 40' ' ' ILE . 4.7 m-85 -53.04 -25.39 12.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.9 t -78.02 -12.05 59.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -96.08 3.04 53.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.753 HD11 HG11 ' A' ' 54' ' ' VAL . 1.9 mm -74.83 -45.42 5.14 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.95 -12.05 21.6 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -93.3 -14.89 26.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.452 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -105.1 -13.17 15.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.571 HD12 HG13 ' A' ' 33' ' ' ILE . 8.5 mt -70.5 -41.03 73.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -40.54 -36.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.63 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.05 -49.11 48.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.495 HD12 HD23 ' A' ' 78' ' ' LEU . 8.3 mt -66.81 -19.87 65.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' LEU . 42.3 mt -98.05 118.19 34.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 61.9 mtm -116.57 158.77 42.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 113.41 3.79 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.78 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.502 1.791 . . . . 0.0 111.005 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 27' ' ' GLN . 3.7 mt-30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -104.25 147.63 27.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -80.06 144.97 32.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.558 HD12 ' O ' ' A' ' 24' ' ' ILE . 3.2 mt -96.48 138.94 33.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -53.83 164.96 0.82 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -14.37 21.09 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.528 1.804 . . . . 0.0 110.971 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mtm-85 -97.62 -28.29 14.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.854 HD22 HD13 ' A' ' 81' ' ' LEU . 9.2 tp -92.27 -45.88 8.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -47.97 -29.54 3.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -91.36 -26.01 19.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 18' ' ' LEU . 12.4 tp -66.73 -58.77 4.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.3 mt -82.08 -40.06 22.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.88 12.26 28.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.525 1.14 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.558 ' O ' HD12 ' A' ' 14' ' ' LEU . 18.8 mt -106.86 128.53 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.47 ' H ' ' CD2' ' A' ' 25' ' ' HIS . 5.4 p80 -86.53 -65.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.608 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.421 ' O ' ' CD ' ' A' ' 27' ' ' GLN . 3.2 m -133.4 117.2 16.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.379 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.726 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -144.94 -174.71 4.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.709 ' O ' HD12 ' A' ' 32' ' ' ILE . 46.4 p -80.93 -175.37 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.373 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.607 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.3 tpp85 -78.28 -45.58 2.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.97 -5.85 17.33 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.726 HG11 ' CG ' ' A' ' 27' ' ' GLN . 40.6 t -99.24 -24.62 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.709 HD12 ' O ' ' A' ' 28' ' ' THR . 26.0 mt -94.4 -52.89 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.6 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.2 tt -45.82 -42.75 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 37' ' ' TRP . 34.2 mm-40 -68.61 -61.12 1.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -41.64 -28.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 5.6 tp -82.97 -48.92 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.6 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 71.8 m95 -52.79 -51.9 58.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.02 -19.74 2.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.281 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.755 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 4.8 t80 -80.25 -47.37 14.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.522 HG23 ' HB2' ' A' ' 45' ' ' LEU . 72.6 mt -62.92 -28.03 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.41 ' O ' ' CE ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -81.95 -55.5 4.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.6 m -62.63 -39.89 95.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.755 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.1 m-70 -90.24 4.77 49.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.632 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.41 ' CE ' ' O ' ' A' ' 41' ' ' LYS . 3.0 mmpt? 39.59 59.39 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.712 HD13 HD12 ' A' ' 60' ' ' LEU . 93.0 mt -81.29 -4.84 56.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.9 OUTLIER -51.69 123.76 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' A' ' 50' ' ' GLU . 33.3 t70 -57.92 130.5 82.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -11.68 21.6 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.459 1.768 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.54 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -88.12 -55.38 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.575 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' A' ' 47' ' ' ASP . 7.6 mm-40 -111.31 173.99 6.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 25.5 mtt180 -112.14 -2.83 14.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.621 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 1.7 pm0 -108.15 -21.73 12.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.621 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 72.7 m-85 -92.47 167.81 11.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.724 ' CG1' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -145.51 122.12 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.478 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 3.4 mt -80.31 107.39 13.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 12.6 m -55.76 141.21 39.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.312 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.98 177.49 7.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.411 ' HE3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -54.24 -31.85 54.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.411 ' CE1' ' HE3' ' A' ' 58' ' ' LYS . 12.1 m-85 -76.01 -52.84 9.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.712 HD12 HD13 ' A' ' 45' ' ' LEU . 93.7 mt -62.6 -39.22 93.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -56.84 -19.44 17.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -99.29 -13.77 19.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.552 HG23 HD21 ' A' ' 81' ' ' LEU . 12.5 mt -101.98 -59.37 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.63 ' CE2' HD22 ' A' ' 60' ' ' LEU . 45.0 m-85 -77.15 -37.92 52.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 68.23 30.6 5.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.83 97.09 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -45.83 -45.75 15.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 10.2 ttt180 -142.77 124.37 14.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.2 ptm -139.31 166.31 24.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.584 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -84.43 141.67 30.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.544 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 3.4 m-85 -51.55 -35.95 43.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -11.37 60.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.049 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -96.15 3.35 53.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.724 HD11 ' CG1' ' A' ' 54' ' ' VAL . 2.4 mm -76.62 -45.35 3.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.98 -11.65 21.52 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.789 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -88.17 -14.75 37.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.418 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -106.62 -15.85 14.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.35 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.531 HD23 HD12 ' A' ' 81' ' ' LEU . 8.8 mt -65.64 -39.72 91.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -42.59 -32.06 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.088 . . . . 0.0 109.575 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.88 -47.96 27.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.854 HD13 HD22 ' A' ' 18' ' ' LEU . 15.0 mt -72.59 -9.51 58.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.52 HD21 HG21 ' A' ' 32' ' ' ILE . 91.6 mt -104.36 112.05 24.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 55.1 mtm -115.78 158.68 41.47 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 117.91 5.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.526 1.803 . . . . 0.0 111.025 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -103.84 154.16 19.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -84.65 133.0 34.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.007 HD21 HD13 ' A' ' 32' ' ' ILE . 5.2 mt -86.9 144.78 26.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -54.86 167.47 0.62 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -16.69 20.09 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.491 1.785 . . . . 0.0 110.961 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -96.93 -27.14 14.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.28 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.543 HD22 HD13 ' A' ' 81' ' ' LEU . 7.0 tp -92.35 -47.31 7.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.6 -30.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.43 ' N ' ' C ' ' A' ' 18' ' ' LEU . 5.3 ptm180 -94.78 -41.54 9.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.2 tp -45.72 -59.97 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.0 mt -85.27 -31.88 22.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.08 8.02 63.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.438 ' O ' HD12 ' A' ' 14' ' ' LEU . 9.8 mt -88.05 102.41 12.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -54.85 -61.21 2.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.579 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 m -157.71 113.35 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.374 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.529 ' HG2' HG11 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -133.93 -175.56 3.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.584 ' OG1' HG23 ' A' ' 31' ' ' VAL . 17.8 p -75.11 -177.45 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.429 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.595 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 13.9 ttp85 -78.04 -45.9 2.26 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.98 -5.64 17.05 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.584 HG23 ' OG1' ' A' ' 28' ' ' THR . 39.7 t -98.57 -32.81 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.007 HD13 HD21 ' A' ' 14' ' ' LEU . 67.8 mt -83.38 -54.18 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.552 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.5 tt -40.77 -41.32 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 37' ' ' TRP . 2.6 mm-40 -67.91 -60.84 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.29 -29.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.507 HD21 ' CG2' ' A' ' 74' ' ' ILE . 6.0 tp -81.26 -50.53 9.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.552 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 78.8 m95 -53.51 -43.82 68.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 107.995 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -62.35 -12.64 22.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.628 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.7 t80 -86.95 -47.77 8.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.516 ' CD1' HG21 ' A' ' 54' ' ' VAL . 29.1 mt -69.01 -21.37 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -84.62 -47.47 10.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -74.04 -44.36 54.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.628 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.8 m-70 -80.98 1.05 32.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.59 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.67 58.82 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.755 HD13 HD12 ' A' ' 60' ' ' LEU . 90.0 mt -86.51 3.02 45.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.2 tt0 -51.42 127.17 19.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.472 ' OD1' ' CG ' ' A' ' 49' ' ' HIS . 61.6 t0 -59.92 125.43 80.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.436 ' HD2' ' OD1' ' A' ' 47' ' ' ASP . 18.4 Cg_endo -74.99 -7.03 18.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.038 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.514 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -91.57 -49.66 6.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.574 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.2 mm-40 -123.76 168.3 12.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.448 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -102.54 -10.73 19.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.608 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -99.17 -21.79 15.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.608 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 66.0 m-85 -93.24 166.98 12.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.61 ' CG1' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -147.88 123.86 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.443 HD21 ' HG3' ' A' ' 68' ' ' ARG . 5.6 mt -79.49 114.21 18.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 18.5 m -64.12 135.93 56.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 108.283 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.56 177.34 2.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.53 ' HE2' ' CZ ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -52.63 -35.05 53.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.097 . . . . 0.0 109.348 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.53 ' CZ ' ' HE2' ' A' ' 58' ' ' LYS . 30.7 m-85 -76.89 -49.94 14.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.755 HD12 HD13 ' A' ' 45' ' ' LEU . 94.5 mt -61.26 -35.91 78.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -64.1 -20.7 66.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -99.21 -13.02 19.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.455 HG23 HD22 ' A' ' 81' ' ' LEU . 20.8 mt -101.53 -57.93 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.557 ' CE2' HD22 ' A' ' 60' ' ' LEU . 38.2 m-85 -78.05 -37.9 45.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 70.28 30.74 3.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.05 96.68 4.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -44.36 -46.54 9.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.538 ' CZ ' ' CE2' ' A' ' 53' ' ' PHE . 7.2 ttp180 -143.26 123.28 13.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.485 ' CE ' HD13 ' A' ' 74' ' ' ILE . 1.8 ptm -138.09 160.69 38.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.581 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -77.94 141.27 39.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.589 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 2.5 m-85 -52.26 -29.8 24.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.403 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 9.3 t -76.68 -11.21 59.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -95.96 1.05 52.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.0 mm -74.26 -45.48 6.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -75.01 -11.61 21.46 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.444 1.76 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -92.69 -15.28 26.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.425 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -104.42 -15.6 15.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.32 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.532 HD23 HD12 ' A' ' 81' ' ' LEU . 8.5 mt -67.72 -40.97 84.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -41.6 -35.27 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.561 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.24 -50.84 28.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.543 HD13 HD22 ' A' ' 18' ' ' LEU . 19.5 mt -64.84 -21.41 66.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.6 mt -92.73 122.58 35.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 71.1 mtm -120.59 160.2 45.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 116.23 4.53 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.791 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 110.957 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -95.51 154.6 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -88.31 130.23 35.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.912 HD21 HD13 ' A' ' 32' ' ' ILE . 5.7 mt -79.5 147.23 32.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -58.29 167.7 1.56 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -17.46 19.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.453 1.765 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mtm-85 -97.12 -26.66 14.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.531 HD22 HD13 ' A' ' 81' ' ' LEU . 6.8 tp -92.14 -46.56 7.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.86 -31.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 18' ' ' LEU . 2.1 mtp-105 -94.36 -46.29 7.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.7 tp -40.64 -59.99 1.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.6 mt -83.74 -39.79 19.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.7 9.61 45.92 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.586 1.178 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.58 ' O ' HD12 ' A' ' 14' ' ' LEU . 4.5 mt -92.26 107.97 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 0.764 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -59.43 -64.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 m -152.07 115.61 4.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 110.402 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.701 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -137.4 -171.52 2.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.477 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 74.3 p -81.72 -168.76 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.435 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.625 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 8.5 ttp-105 -83.28 -43.99 0.84 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.03 -7.92 19.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.527 1.804 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.701 HG11 ' CG ' ' A' ' 27' ' ' GLN . 34.5 t -100.85 -27.01 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.912 HD13 HD21 ' A' ' 14' ' ' LEU . 89.9 mt -88.6 -42.83 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.473 ' HB ' ' O ' ' A' ' 29' ' ' ARG . 1.7 tt -56.31 -42.09 72.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' TRP . 30.0 mm-40 -64.13 -63.4 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.241 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.43 -29.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.542 HD21 ' CG2' ' A' ' 74' ' ' ILE . 6.0 tp -80.34 -51.09 9.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.471 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 78.6 m95 -53.09 -44.99 68.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 107.974 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -60.08 -14.23 15.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.56 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.2 t80 -86.45 -47.35 9.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 111.038 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.587 HG21 ' HE1' ' A' ' 71' ' ' PHE . 62.5 mt -69.38 -22.85 25.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.8 -47.72 11.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.0 m -73.59 -43.5 59.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.418 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.56 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.2 m-70 -82.84 1.34 39.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.596 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' HIS . 1.5 mmpt? 39.51 59.94 1.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.74 HD13 HD12 ' A' ' 60' ' ' LEU . 83.9 mt -84.3 0.83 47.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.1 tt0 -52.11 126.73 19.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 50' ' ' GLU . 28.3 t70 -58.91 129.12 85.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -17.35 19.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.512 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -79.3 -54.99 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.644 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.8 mm-40 -108.3 -174.13 2.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 6.3 mmt180 -120.52 -6.67 9.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.584 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 7.0 pm0 -111.76 -10.52 14.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.584 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 38.0 m-85 -95.37 165.4 12.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.843 HG11 HD11 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -143.76 117.69 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.515 HD21 ' HG3' ' A' ' 68' ' ' ARG . 14.2 mt -77.82 102.15 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 32.7 m -52.64 137.51 30.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 108.315 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -179.13 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.559 ' HE3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -56.55 -32.63 65.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.559 ' CE1' ' HE3' ' A' ' 58' ' ' LYS . 12.7 m-30 -74.28 -55.32 6.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.74 HD12 HD13 ' A' ' 45' ' ' LEU . 88.8 mt -60.81 -38.16 84.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -57.07 -20.81 27.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.26 -13.96 19.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.43 HG23 HD22 ' A' ' 81' ' ' LEU . 12.2 mt -101.71 -64.38 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.551 ' CE1' HD22 ' A' ' 60' ' ' LEU . 30.3 m-85 -71.46 -35.66 70.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 66.86 30.17 7.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.02 95.07 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.042 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 68' ' ' ARG . 17.8 pt20 -43.84 -47.09 8.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.515 ' HG3' HD21 ' A' ' 55' ' ' LEU . 6.8 ttp180 -143.65 122.76 12.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.254 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.564 ' HE3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -137.96 168.15 20.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -87.67 143.91 26.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.587 ' HE1' HG21 ' A' ' 40' ' ' ILE . 4.2 m-85 -53.27 -24.57 11.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.8 m -80.38 -11.35 59.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.034 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -96.48 1.64 51.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.843 HD11 HG11 ' A' ' 54' ' ' VAL . 2.1 mm -74.8 -45.05 5.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.01 -12.86 21.5 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.487 1.783 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -93.43 -14.53 26.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.535 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -104.05 -12.88 16.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.533 HD23 HD12 ' A' ' 81' ' ' LEU . 8.8 mt -70.8 -41.93 70.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -40.83 -36.88 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.619 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.15 -49.23 52.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.533 HD12 HD23 ' A' ' 78' ' ' LEU . 14.7 mt -66.71 -17.42 64.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 78' ' ' LEU . 63.5 mt -95.81 121.44 37.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 75.6 mtm -119.55 159.21 46.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.42 3.79 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.533 1.807 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.517 1.799 . . . . 0.0 111.053 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.406 ' O ' ' CG ' ' A' ' 85' ' ' PRO . 13.5 mt-30 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.419 ' CE2' ' NH2' ' A' ' 29' ' ' ARG . 53.1 m-85 -99.7 146.89 26.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -80.71 131.06 35.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.598 HD12 ' O ' ' A' ' 24' ' ' ILE . 5.2 mt -83.78 143.96 29.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -55.27 166.08 0.96 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -16.7 20.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -97.29 -26.83 14.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.45 HD22 HD13 ' A' ' 81' ' ' LEU . 7.2 tp -92.41 -45.56 8.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -45.32 -29.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.13 -29.66 15.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' LEU . 11.7 tp -60.12 -61.17 2.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.7 mt -83.21 -33.02 26.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.21 16.26 53.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.598 ' O ' HD12 ' A' ' 14' ' ' LEU . 5.5 mt -97.46 100.76 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -50.99 -64.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.566 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.5 m -155.0 115.17 3.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.436 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.727 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -133.06 -168.76 2.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.684 ' O ' HD12 ' A' ' 32' ' ' ILE . 17.7 p -84.36 -177.89 6.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.577 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -76.22 -46.58 3.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 110.288 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -74.96 -5.6 17.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.727 HG11 ' CG ' ' A' ' 27' ' ' GLN . 40.5 t -99.22 -29.17 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.684 HD12 ' O ' ' A' ' 28' ' ' THR . 22.8 mt -87.64 -54.79 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.603 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.1 tt -41.85 -45.11 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' ALA . 15.6 mm-40 -65.24 -61.25 2.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.63 -42.61 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.241 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.533 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.7 tp -67.91 -50.6 55.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.603 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 62.0 m95 -52.53 -42.02 63.99 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -62.62 -12.08 20.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.57 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 6.0 t80 -87.39 -47.48 8.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.468 HG21 ' HE1' ' A' ' 71' ' ' PHE . 26.2 mt -70.3 -20.85 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -84.5 -46.05 12.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 m -75.97 -44.03 41.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.358 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.57 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.0 m-70 -81.69 2.09 31.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.62 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 43' ' ' HIS . 1.4 mtpt 38.8 58.61 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.757 HD13 HD12 ' A' ' 60' ' ' LEU . 90.0 mt -85.74 4.2 37.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.57 133.23 30.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 50' ' ' GLU . 22.9 t70 -66.44 126.98 93.06 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -15.07 21.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.477 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.6 OUTLIER -81.29 -56.08 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.609 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.462 ' O ' ' O ' ' A' ' 47' ' ' ASP . 3.1 mm-40 -111.75 -175.62 2.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -116.16 -19.69 10.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.595 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 9.9 pm0 -96.06 -16.14 21.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.595 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 56.2 m-85 -93.85 166.96 11.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.603 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -148.36 127.77 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 4.1 mt -83.3 115.63 22.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.452 ' HB3' ' CB ' ' A' ' 60' ' ' LEU . 11.1 m -70.99 127.0 31.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.279 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.475 ' OD2' HD21 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -62.49 -178.82 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -49.77 -57.37 7.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.534 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 3.9 m-30 -51.69 -58.18 7.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.757 HD12 HD13 ' A' ' 45' ' ' LEU . 95.9 mt -54.96 -44.14 74.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -57.24 -18.58 16.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -99.42 -13.72 19.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.401 ' CD1' HD22 ' A' ' 21' ' ' LEU . 65.7 mt -102.22 -60.1 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.536 ' CE2' HD22 ' A' ' 60' ' ' LEU . 37.0 m-85 -76.93 -36.42 56.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 67.92 30.02 6.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.81 95.91 4.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.977 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.52 -44.84 26.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.467 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 15.4 ttt180 -139.88 122.33 16.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -139.44 166.12 25.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.574 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -86.93 142.63 27.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.603 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 2.1 m-85 -52.55 -29.01 23.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.412 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 0.3 OUTLIER -78.75 -11.54 59.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.946 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -95.42 -1.13 51.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.3 mm -72.11 -45.85 11.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.99 -12.2 21.52 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.521 1.8 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -85.54 -19.36 31.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.341 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -102.67 -21.12 14.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 82' ' ' LEU . 7.3 mt -60.18 -43.28 95.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -43.15 -34.72 1.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.564 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.08 -45.22 58.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.461 HD12 HD23 ' A' ' 78' ' ' LEU . 11.0 mt -72.36 -14.01 61.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 78' ' ' LEU . 49.6 mt -101.08 112.65 25.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 75.5 mtm -113.37 160.13 32.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 113.98 3.92 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.406 ' CG ' ' O ' ' A' ' 11' ' ' GLN . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 27' ' ' GLN . 12.2 mt-30 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.467 ' HB2' HD22 ' A' ' 82' ' ' LEU . 55.0 m-85 -105.1 147.38 27.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 ttpp -79.47 131.5 36.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.469 HD12 ' O ' ' A' ' 24' ' ' ILE . 4.6 mt -84.51 142.87 29.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -53.79 166.67 0.58 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -15.39 20.74 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 110.972 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.9 mtm-85 -97.1 -28.55 14.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.564 HD22 HD13 ' A' ' 81' ' ' LEU . 8.1 tp -91.73 -47.57 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.97 -30.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.446 ' N ' ' C ' ' A' ' 18' ' ' LEU . 9.6 mtp180 -94.18 -48.07 6.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.349 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.7 tp -41.2 -61.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.9 mt -82.31 -34.04 28.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.27 6.54 62.85 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.463 1.102 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.469 ' O ' HD12 ' A' ' 14' ' ' LEU . 5.0 mt -87.07 107.4 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -59.5 -61.29 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.611 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.8 m -157.14 111.08 2.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.402 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.645 ' CG ' HG11 ' A' ' 31' ' ' VAL . 1.2 mp0 -127.47 -170.9 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.615 ' O ' HD12 ' A' ' 32' ' ' ILE . 81.9 p -82.91 -169.1 2.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.623 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 17.6 ttp180 -83.37 -44.11 0.83 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.99 -6.26 17.84 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.645 HG11 ' CG ' ' A' ' 27' ' ' GLN . 20.5 t -100.58 -33.87 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.615 HD12 ' O ' ' A' ' 28' ' ' THR . 58.3 mt -79.16 -43.93 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.227 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.601 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.2 tt -55.17 -41.51 60.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' TRP . 63.6 mm-40 -69.81 -62.87 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.43 -30.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.701 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.4 tp -80.63 -51.69 8.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 57.3 m95 -51.95 -45.84 64.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 108.021 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -58.06 -16.1 11.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.639 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.1 t80 -84.43 -46.8 11.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.432 ' CD1' HG21 ' A' ' 54' ' ' VAL . 65.4 mt -66.91 -24.11 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 0.0 109.354 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -84.5 -50.41 7.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.8 m -68.66 -39.7 80.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.639 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.2 m-70 -88.84 -2.22 58.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.616 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.8 mttt 43.68 58.69 3.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.653 HD13 HD12 ' A' ' 60' ' ' LEU . 53.3 mt -82.39 1.99 34.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.46 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.1 tt0 -51.49 128.14 22.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' A' ' 50' ' ' GLU . 33.4 t70 -63.06 130.23 93.99 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.73 20.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.548 1.815 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.516 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -83.44 -57.22 3.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.6 mm-40 -111.22 167.34 10.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.46 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 1.3 mmt-85 -104.82 -5.56 21.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.59 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 10.3 pm0 -104.99 -22.78 13.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.59 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 61.0 m-85 -90.48 167.8 12.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.649 ' CG1' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -146.45 120.49 2.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.464 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 6.9 mt -78.1 116.7 18.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.0 m -69.21 138.14 53.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 108.282 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -72.89 166.99 21.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.507 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -41.21 -41.65 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.507 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 12.3 m-85 -65.48 -63.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.653 HD12 HD13 ' A' ' 45' ' ' LEU . 83.8 mt -53.0 -40.19 63.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -57.86 -19.95 32.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -98.96 -12.8 20.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.7 mt -101.75 -63.02 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 77' ' ' ARG . 27.2 m-85 -73.22 -36.59 66.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 69.88 30.07 3.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.348 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.31 91.97 3.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.2 -45.22 16.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.464 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 17.7 ttt180 -138.85 122.06 16.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.464 ' HE2' HD13 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -139.13 166.41 24.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 111.036 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -88.18 143.83 26.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 2.6 m-85 -52.68 -25.92 12.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.417 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 48.1 t -82.74 -11.56 58.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -95.86 1.49 53.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.701 ' CG2' HD21 ' A' ' 36' ' ' LEU . 2.5 mm -76.42 -45.64 3.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.94 -12.07 21.62 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.472 1.775 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -92.05 -16.55 26.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.344 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.452 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -101.71 -16.32 16.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 82' ' ' LEU . 8.5 mt -65.58 -42.28 91.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -39.96 -37.54 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.572 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.94 -51.72 36.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.564 HD13 HD22 ' A' ' 18' ' ' LEU . 11.9 mt -65.85 -18.91 65.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.602 HD21 HG21 ' A' ' 32' ' ' ILE . 89.0 mt -95.29 119.8 34.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 73.7 mtm -118.92 159.91 42.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 116.12 4.49 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.416 1.746 . . . . 0.0 111.042 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.448 ' HG3' HG22 ' A' ' 28' ' ' THR . 5.0 mp0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -111.74 156.26 22.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -90.68 130.92 36.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.992 HD21 HD13 ' A' ' 32' ' ' ILE . 5.2 mt -81.89 146.76 29.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -58.83 167.55 1.85 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -16.39 20.21 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 110.974 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.465 ' HB3' HD11 ' A' ' 63' ' ' ILE . 21.1 mtm180 -97.1 -27.28 14.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.489 HD22 HD13 ' A' ' 81' ' ' LEU . 6.4 tp -92.34 -47.67 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.38 -30.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.443 ' N ' ' C ' ' A' ' 18' ' ' LEU . 1.7 ptm180 -95.13 -39.81 9.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.443 ' HA ' HD12 ' A' ' 21' ' ' LEU . 10.9 tp -48.12 -60.86 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.5 mt -83.55 -34.72 25.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.83 15.5 52.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.522 ' O ' HD12 ' A' ' 14' ' ' LEU . 12.3 mt -96.17 99.66 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.761 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -49.95 -66.51 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.625 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.421 ' O ' ' CD ' ' A' ' 27' ' ' GLN . 2.7 m -151.72 121.07 6.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.729 ' CG ' HG11 ' A' ' 31' ' ' VAL . 1.5 mp0 -142.55 -167.59 2.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.501 ' O ' HD12 ' A' ' 32' ' ' ILE . 46.6 p -85.35 -166.78 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.36 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.585 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 12.4 ttp85 -83.66 -46.42 0.78 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.99 -6.81 18.53 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.439 1.757 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.729 HG11 ' CG ' ' A' ' 27' ' ' GLN . 44.2 t -101.04 -22.51 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.992 HD13 HD21 ' A' ' 14' ' ' LEU . 86.7 mt -97.36 -40.47 10.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.466 ' HB ' ' O ' ' A' ' 29' ' ' ARG . 3.1 tt -58.73 -40.58 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -65.65 -58.95 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.39 -27.31 0.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.506 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.4 tp -82.51 -47.43 12.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.441 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 60.9 m95 -55.06 -43.38 73.78 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.02 -14.6 49.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.738 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 6.5 t80 -84.06 -45.5 12.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.605 ' CD1' HG21 ' A' ' 54' ' ' VAL . 52.9 mt -67.13 -24.87 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -84.13 -49.07 9.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.6 m -69.62 -37.3 76.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.376 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.738 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 5.4 m170 -92.22 1.07 57.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 43' ' ' HIS . 8.2 mttt 39.62 59.53 1.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.7 HD13 HD12 ' A' ' 60' ' ' LEU . 80.1 mt -84.97 1.25 48.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.464 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.2 tt0 -51.65 129.72 26.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 50' ' ' GLU . 26.7 t70 -64.45 128.18 93.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -11.45 21.6 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.493 1.786 . . . . 0.0 111.047 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.699 ' CE1' HD11 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -83.27 -51.37 7.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.561 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.462 ' O ' ' O ' ' A' ' 47' ' ' ASP . 3.1 mm-40 -116.76 -174.23 2.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.464 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.27 -15.59 9.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.311 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.618 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 6.5 pm0 -98.79 -22.56 15.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.618 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 54.5 m-85 -87.0 166.33 15.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.605 HG21 ' CD1' ' A' ' 40' ' ' ILE . 0.2 OUTLIER -147.83 121.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.699 HD11 ' CE1' ' A' ' 49' ' ' HIS . 2.6 mt -81.8 115.47 21.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.2 m -65.46 139.0 58.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 108.272 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.71 -177.55 1.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.456 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 1.6 ptpt -57.19 -39.47 75.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.456 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 14.1 m-85 -68.31 -53.18 26.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.7 HD12 HD13 ' A' ' 45' ' ' LEU . 95.8 mt -61.33 -41.9 97.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -55.32 -18.77 7.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -99.03 -15.29 19.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.52 HG23 HD22 ' A' ' 81' ' ' LEU . 8.9 mt -101.59 -59.64 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.557 ' CE2' HD22 ' A' ' 60' ' ' LEU . 38.4 m-85 -76.35 -39.47 53.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 68.91 30.17 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.12 94.13 4.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -45.34 -44.85 12.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 13.0 ttt180 -143.99 123.57 13.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.501 ' HE2' HD13 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -139.31 166.25 25.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.944 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.591 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -86.97 142.72 27.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.615 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 3.2 m-85 -53.78 -20.23 5.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.1 -11.69 56.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -97.53 0.84 48.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.629 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 3.1 mm -74.65 -44.94 5.46 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.0 -13.76 21.32 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -93.45 -16.61 24.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.86 -18.61 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 82' ' ' LEU . 7.2 mt -64.64 -39.59 93.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -43.39 -38.07 2.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.594 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.22 -47.91 72.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.52 HD22 HG23 ' A' ' 63' ' ' ILE . 13.6 mt -70.41 -20.27 62.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 78' ' ' LEU . 81.7 mt -92.39 120.01 32.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 30.9 mtm -117.38 158.24 45.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 115.67 4.36 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -115.13 145.79 42.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 tmmt? -79.74 126.56 31.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.853 HD21 HD13 ' A' ' 32' ' ' ILE . 4.3 mt -79.03 143.74 35.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -55.75 167.14 0.86 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -15.35 20.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.542 1.812 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -97.5 -27.98 14.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.57 HD22 HD13 ' A' ' 81' ' ' LEU . 6.8 tp -92.11 -47.71 7.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.94 -30.74 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.438 ' N ' ' C ' ' A' ' 18' ' ' LEU . 3.9 ptm180 -95.13 -40.99 9.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.513 HD23 HD12 ' A' ' 18' ' ' LEU . 12.8 tp -45.07 -60.15 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.3 mt -84.72 -35.85 22.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.19 -0.42 57.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.509 ' O ' HD12 ' A' ' 14' ' ' LEU . 4.6 mt -82.2 109.88 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -61.29 -64.38 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.567 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -152.28 114.13 4.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.399 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.717 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -132.99 -169.61 2.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.432 ' O ' HD12 ' A' ' 32' ' ' ILE . 76.7 p -83.59 -168.25 2.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.604 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 6.1 ttp-105 -84.07 -45.2 0.76 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -75.04 -5.78 17.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.534 1.807 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.717 HG11 ' CG ' ' A' ' 27' ' ' GLN . 31.2 t -100.84 -30.75 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.853 HD13 HD21 ' A' ' 14' ' ' LEU . 86.1 mt -85.37 -51.06 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.486 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.4 tt -46.04 -45.04 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 37' ' ' TRP . 4.8 mm-40 -64.66 -60.64 2.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.09 -29.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.581 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 6.0 tp -80.92 -51.16 8.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.486 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 86.8 m95 -52.41 -46.23 66.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 108.028 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -59.64 -14.75 15.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.263 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.589 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.1 t80 -86.41 -48.53 8.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.676 HG23 ' HB2' ' A' ' 45' ' ' LEU . 44.7 mt -66.51 -22.3 29.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -85.29 -50.82 7.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.234 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.0 m -69.63 -39.8 76.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.433 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.589 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 5.9 m-70 -88.61 4.66 46.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' HIS . 9.6 mmtt 40.18 59.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.244 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.717 HD13 HD12 ' A' ' 60' ' ' LEU . 81.1 mt -81.9 -4.12 55.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.9 OUTLIER -51.91 126.3 17.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.278 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 50' ' ' GLU . 32.7 t70 -59.67 130.8 88.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.27 21.48 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.519 1.799 . . . . 0.0 111.032 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.563 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -85.13 -54.68 4.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.58 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.457 ' O ' ' O ' ' A' ' 47' ' ' ASP . 5.8 mm-40 -110.56 -175.7 2.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.458 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.1 -13.82 9.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.614 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 1.3 pm0 -100.99 -19.67 15.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.614 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 55.2 m-85 -89.61 166.25 13.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.783 HG11 HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -145.9 122.68 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.493 HD21 ' HG3' ' A' ' 68' ' ' ARG . 6.3 mt -81.71 111.63 18.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 33.7 m -64.62 134.06 53.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 108.333 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.36 -179.49 2.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -51.8 -45.9 64.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.526 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 4.3 m-30 -62.41 -61.4 2.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.717 HD12 HD13 ' A' ' 45' ' ' LEU . 98.4 mt -52.23 -41.88 63.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -57.3 -19.19 20.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -99.29 -14.28 19.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.426 HG23 ' CD2' ' A' ' 81' ' ' LEU . 13.1 mt -101.67 -60.06 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.552 ' CE2' HD22 ' A' ' 60' ' ' LEU . 40.9 m-85 -77.62 -40.87 40.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 70.81 30.24 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.243 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.23 94.65 4.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -41.83 -47.24 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.493 ' HG3' HD21 ' A' ' 55' ' ' LEU . 8.1 ttp180 -147.33 124.18 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.444 ' HE3' HD13 ' A' ' 74' ' ' ILE . 0.8 OUTLIER -138.15 163.33 31.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.573 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -82.07 142.57 32.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.622 ' HE1' HG21 ' A' ' 40' ' ' ILE . 3.9 m-85 -52.43 -28.57 20.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 38.8 t -76.41 -12.56 60.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -96.07 3.56 53.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.783 HD11 HG11 ' A' ' 54' ' ' VAL . 2.3 mm -74.92 -45.99 4.97 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.02 -10.86 21.36 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.553 1.817 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -91.05 -18.67 24.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -101.56 -23.43 14.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' LEU . 7.3 mt -59.11 -37.71 77.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -46.55 -28.26 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.614 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.81 -45.49 28.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.57 HD13 HD22 ' A' ' 18' ' ' LEU . 11.8 mt -75.08 -10.54 59.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.447 HD21 HG21 ' A' ' 32' ' ' ILE . 83.7 mt -103.69 117.27 33.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 28.7 mtm -118.35 158.54 46.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 114.31 4.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.498 1.788 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.53 1.805 . . . . 0.0 110.985 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 27' ' ' GLN . 9.2 mt-30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -104.58 146.38 28.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 ttpp -80.74 129.54 34.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.859 HD21 HD13 ' A' ' 32' ' ' ILE . 4.5 mt -83.42 143.5 30.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -53.01 167.37 0.41 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -17.55 19.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.772 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -96.67 -26.74 15.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.587 HD22 HD13 ' A' ' 81' ' ' LEU . 7.2 tp -92.14 -47.69 7.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.91 -30.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.358 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.442 ' N ' ' C ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -95.08 -46.31 6.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 21' ' ' LEU . 14.5 tp -40.48 -58.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.5 mt -86.59 -35.14 19.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.83 12.98 54.87 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.425 ' O ' HD12 ' A' ' 14' ' ' LEU . 10.7 mt -93.39 104.78 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 0.777 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -58.84 -60.14 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.583 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.2 m -156.99 112.32 2.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 110.432 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.654 ' HG2' HG11 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -132.18 -170.16 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.572 ' OG1' HG23 ' A' ' 31' ' ' VAL . 34.2 p -82.24 -176.06 5.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.455 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.609 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 3.6 ttt-85 -78.92 -44.8 1.81 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.04 -6.21 17.74 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.466 1.772 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.654 HG11 ' HG2' ' A' ' 27' ' ' GLN . 42.3 t -99.13 -33.1 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.859 HD13 HD21 ' A' ' 14' ' ' LEU . 68.3 mt -82.32 -55.43 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.569 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.1 tt -41.01 -44.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 37' ' ' TRP . 14.2 mt-30 -67.35 -59.53 3.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.75 -30.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.527 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.9 tp -81.76 -51.54 8.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.569 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 85.5 m95 -51.91 -45.14 64.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 108.008 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -59.29 -14.76 12.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.584 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.4 t80 -86.18 -47.54 9.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.724 HG23 ' HB2' ' A' ' 45' ' ' LEU . 41.9 mt -67.42 -24.1 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -82.78 -50.75 8.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.4 m -69.66 -43.55 72.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.584 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 5.7 m-70 -84.75 3.98 34.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.604 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.2 mttt 41.03 58.35 2.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.724 ' HB2' HG23 ' A' ' 40' ' ' ILE . 91.2 mt -79.44 -3.33 46.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.474 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.9 OUTLIER -51.32 123.42 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.531 ' OD1' HD21 ' A' ' 55' ' ' LEU . 36.2 t70 -59.58 132.22 88.54 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -14.51 21.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.451 1.763 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.568 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -84.43 -57.08 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.587 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.458 ' O ' ' O ' ' A' ' 47' ' ' ASP . 6.7 mm-40 -113.38 173.24 6.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.474 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -107.06 -13.78 15.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.597 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 4.8 pm0 -97.14 -20.76 17.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.346 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.597 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 58.0 m-85 -91.04 167.52 12.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.658 ' CG1' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -148.02 122.25 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.531 HD21 ' OD1' ' A' ' 47' ' ' ASP . 6.0 mt -78.54 108.45 11.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 20.8 m -62.49 128.88 38.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 108.291 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -178.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -54.74 -47.12 74.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.529 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 4.1 m-30 -61.02 -56.39 21.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.62 HD12 HD13 ' A' ' 45' ' ' LEU . 90.7 mt -56.2 -42.72 77.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -56.11 -17.88 8.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -99.01 -15.08 19.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.419 HG23 ' CD2' ' A' ' 81' ' ' LEU . 13.3 mt -101.67 -58.5 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.54 ' CE2' HD22 ' A' ' 60' ' ' LEU . 38.7 m-85 -78.07 -40.38 38.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 69.46 30.78 3.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.04 94.82 4.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -42.01 -47.64 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.264 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.547 ' NE ' ' CD2' ' A' ' 53' ' ' PHE . 6.0 ttp180 -142.51 123.13 14.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.46 ' HE2' HD13 ' A' ' 74' ' ' ILE . 2.0 ptm -138.15 162.05 35.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -80.18 140.46 36.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.661 ' HE1' HG21 ' A' ' 40' ' ' ILE . 2.3 m-85 -51.62 -32.2 28.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 t -73.64 -12.29 60.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -95.85 3.49 53.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.422 1.076 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.658 HD11 ' CG1' ' A' ' 54' ' ' VAL . 2.1 mm -75.19 -45.95 4.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.0 -11.47 21.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.46 1.768 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -88.62 -17.26 30.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.438 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -104.8 -16.88 14.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.595 HD23 HD12 ' A' ' 81' ' ' LEU . 8.9 mt -66.0 -42.78 89.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 75' ' ' PRO . 98.4 m-70 -42.56 -34.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.6 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.89 -47.01 55.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.595 HD12 HD23 ' A' ' 78' ' ' LEU . 16.3 mt -70.74 -17.58 62.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.458 HD21 HG21 ' A' ' 32' ' ' ILE . 61.5 mt -97.36 110.21 22.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 50.2 mtm -110.19 159.04 33.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 113.55 3.82 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.022 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 29' ' ' ARG . 15.9 m-85 -102.04 151.66 21.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -92.15 131.12 37.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.449 HD21 HD13 ' A' ' 32' ' ' ILE . 3.8 mt -81.97 146.14 29.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.6 167.37 1.38 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.232 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.61 20.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.85 -27.76 14.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.66 HD22 HD13 ' A' ' 81' ' ' LEU . 7.3 tp -92.1 -47.45 7.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.31 -31.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.441 ' N ' ' C ' ' A' ' 18' ' ' LEU . 2.7 mpt_? -93.92 -48.81 6.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' ARG . 10.6 tp -39.96 -59.79 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.1 mt -83.6 -32.7 25.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.04 -9.87 63.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.61 HG23 ' CD ' ' A' ' 27' ' ' GLN . 35.7 mt -71.4 135.12 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -90.42 -64.37 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.578 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 m -158.16 136.56 11.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 110.38 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.61 ' CD ' HG23 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -175.15 -166.97 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.258 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.936 ' O ' HD12 ' A' ' 32' ' ' ILE . 14.9 p -64.98 175.01 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.666 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 7.7 ttp-105 -78.62 -41.07 1.78 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.1 -4.62 15.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.604 HG23 ' OG1' ' A' ' 28' ' ' THR . 19.8 t -97.65 -19.18 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.936 HD12 ' O ' ' A' ' 28' ' ' THR . 5.6 mt -101.26 -44.19 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.53 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.4 tt -51.54 -42.11 28.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -63.5 -47.24 82.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.498 ' HB2' HD11 ' A' ' 24' ' ' ILE . . . -55.64 -24.46 33.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.603 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 6.0 tp -85.96 -47.14 9.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.53 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 95.4 m95 -55.49 -42.29 74.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 108.033 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -67.4 -15.1 63.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.735 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 8.0 t80 -85.05 -44.69 12.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.71 HG23 ' HB2' ' A' ' 45' ' ' LEU . 30.9 mt -69.5 -25.25 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.48 -49.8 10.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m -68.74 -43.92 74.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.735 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 5.6 m-70 -82.41 -1.72 50.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.62 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt 47.5 57.08 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.748 HD13 HD12 ' A' ' 60' ' ' LEU . 90.0 mt -81.59 -5.49 58.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.469 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.9 OUTLIER -51.51 125.88 15.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.44 ' O ' ' O ' ' A' ' 50' ' ' GLU . 36.8 t70 -59.57 132.02 88.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -12.99 21.53 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.782 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.566 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -85.58 -54.64 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.585 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 47' ' ' ASP . 2.8 mm-40 -110.76 -174.21 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.469 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.13 -18.46 9.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 110.334 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.617 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 6.4 pm0 -95.73 -23.6 16.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.617 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 52.1 m-85 -85.48 165.44 17.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.63 HG11 HD11 ' A' ' 74' ' ' ILE . 0.8 OUTLIER -145.64 124.34 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.443 HD11 ' CE1' ' A' ' 49' ' ' HIS . 6.2 mt -82.98 100.45 10.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 60.4 m -51.83 141.14 17.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 108.325 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.06 174.15 11.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.493 ' HE2' ' CZ ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -48.71 -33.28 9.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.493 ' CZ ' ' HE2' ' A' ' 58' ' ' LYS . 14.3 m-85 -73.73 -62.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.748 HD12 HD13 ' A' ' 45' ' ' LEU . 89.4 mt -54.26 -38.62 66.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -57.58 -19.85 28.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -99.4 -12.81 19.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.43 HG23 ' CD2' ' A' ' 81' ' ' LEU . 19.9 mt -101.92 -58.98 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.535 ' CE1' HD22 ' A' ' 60' ' ' LEU . 31.2 m-85 -77.02 -36.21 56.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 68.59 30.49 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.93 98.29 5.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -48.74 -43.29 37.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.435 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 15.3 ttt180 -144.09 122.07 12.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.507 ' SD ' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -139.97 168.24 20.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.616 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -88.75 142.58 27.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.693 ' HE1' HG21 ' A' ' 40' ' ' ILE . 3.0 m-85 -55.97 -23.92 35.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.62 -13.9 59.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.37 7.33 46.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.63 HD11 HG11 ' A' ' 54' ' ' VAL . 1.4 mm -75.71 -46.23 4.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.97 -11.28 21.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.23 -17.52 23.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -102.98 -23.35 13.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.352 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.496 HD12 HG13 ' A' ' 33' ' ' ILE . 6.7 mt -60.54 -39.66 88.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -41.02 -34.1 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.28 -50.92 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.66 HD13 HD22 ' A' ' 18' ' ' LEU . 17.3 mt -67.84 -15.44 63.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 78' ' ' LEU . 82.9 mt -99.39 113.23 25.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 44.6 mtm -115.87 159.17 40.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 114.55 4.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 27' ' ' GLN . 14.9 mt-30 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.708 ' CZ ' ' CZ ' ' A' ' 29' ' ' ARG . 52.1 m-85 -101.17 148.71 24.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -77.99 132.98 38.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.01 HD12 ' O ' ' A' ' 24' ' ' ILE . 3.9 mt -85.41 144.74 27.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.524 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -54.63 162.12 1.88 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -16.2 20.19 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.772 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -97.46 -27.62 14.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.662 HD22 HD13 ' A' ' 81' ' ' LEU . 6.8 tp -92.35 -45.81 8.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -38.49 -35.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -90.45 -47.82 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.257 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.5 tp -40.16 -55.02 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.7 mt -87.14 -36.8 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.09 -16.88 38.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.01 ' O ' HD12 ' A' ' 14' ' ' LEU . 85.3 mt -84.77 120.58 35.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.565 0.803 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -89.05 -36.6 15.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.576 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.466 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 9.2 m -146.86 139.14 24.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.38 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.536 ' CG ' HG11 ' A' ' 31' ' ' VAL . 1.5 tp-100 -175.44 -177.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.478 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 74.3 p -76.64 -170.01 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.458 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.826 HH11 HD13 ' A' ' 82' ' ' LEU . 4.3 tpp180 -84.49 -43.51 0.72 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.95 -9.98 21.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.431 1.753 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.536 HG11 ' CG ' ' A' ' 27' ' ' GLN . 77.6 t -101.49 -14.48 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.785 HD13 HD21 ' A' ' 14' ' ' LEU . 42.4 mt -100.34 -36.3 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.551 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.0 OUTLIER -65.7 -43.91 93.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 36' ' ' LEU . 57.7 mm-40 -65.21 -58.54 5.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.87 -30.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.597 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 5.9 tp -81.59 -52.05 7.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.551 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 93.6 m95 -52.28 -45.56 65.52 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -14.3 17.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.503 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 5.4 t80 -86.19 -49.12 7.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.602 HG21 ' HE1' ' A' ' 71' ' ' PHE . 34.2 mt -68.11 -25.43 31.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -51.27 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.3 m -68.82 -44.29 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.408 ' CD2' ' O ' ' A' ' 39' ' ' TYR . 6.1 m-70 -83.05 0.5 44.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 109.609 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 mttt 40.45 59.41 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.761 HD13 HD12 ' A' ' 60' ' ' LEU . 85.3 mt -85.25 2.83 42.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.08 134.32 32.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.262 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' A' ' 50' ' ' GLU . 23.2 t70 -66.86 128.67 93.96 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.73 20.06 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.513 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -78.09 -53.69 7.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.619 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.443 ' O ' ' O ' ' A' ' 47' ' ' ASP . 9.0 mm-40 -111.79 -173.18 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.62 -10.27 10.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.574 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 9.6 pm0 -108.0 -15.64 14.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.574 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 36.5 m-85 -90.28 165.31 13.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.786 HG11 HD11 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -144.81 124.7 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.474 ' CD2' ' HB2' ' A' ' 68' ' ' ARG . 10.4 mt -81.98 105.12 12.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.7 m -58.68 131.3 50.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 108.332 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.1 178.06 2.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.47 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 2.2 ptpt -53.33 -33.16 52.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.47 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 14.7 m-85 -72.44 -56.07 6.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.761 HD12 HD13 ' A' ' 45' ' ' LEU . 90.8 mt -60.64 -35.93 77.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -59.39 -19.85 50.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.098 . . . . 0.0 110.312 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -99.34 -13.63 19.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.528 HG23 HD21 ' A' ' 81' ' ' LEU . 11.8 mt -102.1 -61.98 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.542 ' CE2' HD22 ' A' ' 60' ' ' LEU . 36.8 m-85 -76.38 -36.93 57.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 66.4 31.08 8.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 110.329 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.13 94.07 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -40.37 -48.33 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.474 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . 4.5 ttp180 -147.24 122.75 10.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.467 ' CE ' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.01 167.64 21.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 110.983 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -83.65 142.31 30.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.602 ' HE1' HG21 ' A' ' 40' ' ' ILE . 3.7 m-85 -52.3 -28.54 19.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 t -74.35 -12.98 60.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.973 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -95.56 5.71 50.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.786 HD11 HG11 ' A' ' 54' ' ' VAL . 1.6 mm -76.54 -46.88 3.25 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.1 Cg_endo -74.98 -11.46 21.52 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.496 1.787 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -91.56 -13.88 31.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.506 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -108.23 -11.77 15.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.281 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.727 HD23 HD12 ' A' ' 81' ' ' LEU . 9.8 mt -73.57 -41.64 62.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.416 ' CD2' ' O ' ' A' ' 75' ' ' PRO . 96.8 m-70 -41.19 -36.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.62 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.53 -49.28 42.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.727 HD12 HD23 ' A' ' 78' ' ' LEU . 38.3 mt -65.07 -12.11 47.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.826 HD13 HH11 ' A' ' 29' ' ' ARG . 28.6 mt -101.24 122.89 44.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 61.8 mtm -123.35 160.51 50.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 113.56 3.82 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 111.009 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.427 ' OE1' HG22 ' A' ' 26' ' ' THR . 11.4 mt-30 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -106.74 151.14 25.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -84.82 126.42 33.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.046 HD21 HD13 ' A' ' 32' ' ' ILE . 4.8 mt -78.91 144.66 34.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.47 167.14 1.39 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.16 20.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.798 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -96.89 -27.41 14.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.504 HD22 HD13 ' A' ' 81' ' ' LEU . 7.8 tp -92.46 -47.55 7.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -44.82 -28.74 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.58 -30.12 13.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 18' ' ' LEU . 14.4 tp -58.85 -61.4 2.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.4 mt -81.48 -34.08 31.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.16 17.3 43.76 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.474 ' O ' HD12 ' A' ' 14' ' ' LEU . 8.9 mt -100.26 105.69 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -53.67 -67.04 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.612 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.427 HG22 ' OE1' ' A' ' 11' ' ' GLN . 1.6 m -151.3 121.37 7.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.744 ' CG ' HG11 ' A' ' 31' ' ' VAL . 1.9 mp0 -138.96 -171.31 3.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.553 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 36.2 p -81.44 -167.29 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.576 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 11.0 ttp180 -83.61 -47.22 0.77 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.01 -4.51 15.52 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.744 HG11 ' CG ' ' A' ' 27' ' ' GLN . 47.0 t -100.83 -23.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.046 HD13 HD21 ' A' ' 14' ' ' LEU . 92.4 mt -95.66 -47.75 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.519 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.3 tt -48.94 -45.59 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 37' ' ' TRP . 7.8 mm100 -64.88 -61.18 2.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.52 -31.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.5 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.9 tp -78.55 -50.68 11.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.519 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 84.1 m95 -52.86 -46.33 67.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -58.41 -15.53 11.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.616 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.2 t80 -85.07 -47.62 10.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.537 HG21 ' HE1' ' A' ' 71' ' ' PHE . 47.9 mt -67.34 -24.42 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.24 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.77 -50.41 8.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.4 m -69.51 -43.82 72.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.386 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.616 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.9 m-70 -82.94 -3.38 57.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.61 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.2 mttt 44.69 58.13 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.627 HD13 HD12 ' A' ' 60' ' ' LEU . 33.0 mt -82.23 0.83 39.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -51.4 131.55 28.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 50' ' ' GLU . 31.0 t70 -65.77 129.96 94.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -16.39 20.3 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.537 1.809 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.54 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -81.15 -55.56 4.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.572 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' A' ' 47' ' ' ASP . 3.5 mm-40 -109.04 -174.77 2.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.452 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -119.13 -16.21 9.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.593 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 7.9 pm0 -99.05 -19.81 17.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.593 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 53.0 m-85 -89.22 169.09 11.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.613 ' CG1' HD11 ' A' ' 74' ' ' ILE . 1.3 p -149.41 123.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.472 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 4.1 mt -80.76 114.55 19.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.5 m -63.89 141.72 58.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.52 ' OD1' HD12 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -78.52 173.74 12.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.496 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 4.8 ptpt -45.67 -41.0 9.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.496 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 11.3 m-85 -68.23 -62.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.981 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.627 HD12 HD13 ' A' ' 45' ' ' LEU . 78.4 mt -51.94 -40.34 60.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -58.06 -20.44 39.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.84 -13.16 20.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.1 mt -101.94 -60.82 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.601 ' CE2' HD22 ' A' ' 60' ' ' LEU . 37.7 m-85 -75.08 -36.98 61.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.95 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 68.86 30.34 4.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.89 100.74 6.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -51.27 -43.16 61.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.472 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 11.9 ttt180 -141.65 122.96 14.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.9 ptm -139.37 166.34 24.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -89.41 143.32 26.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.587 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.4 m-85 -52.22 -34.17 44.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.28 -12.27 60.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.026 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -95.37 3.29 54.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.613 HD11 ' CG1' ' A' ' 54' ' ' VAL . 2.1 mm -76.12 -46.15 3.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.03 -11.22 21.42 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -91.8 -16.87 26.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.25 -16.05 15.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 78' ' ' LEU . 7.8 mt -67.01 -36.95 83.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -45.21 -32.5 1.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.585 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.22 -47.22 36.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.504 HD13 HD22 ' A' ' 18' ' ' LEU . 8.9 mt -70.89 -13.38 62.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 78' ' ' LEU . 84.7 mt -101.62 111.24 23.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 78.5 mtm -111.15 159.8 31.42 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 117.66 4.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.535 1.808 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.023 179.969 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -101.35 151.81 21.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 tmmt? -83.87 128.31 34.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.968 HD21 HD13 ' A' ' 32' ' ' ILE . 4.1 mt -81.37 144.2 31.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.502 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -54.73 167.24 0.63 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -17.11 19.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.459 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 25.7 mtm180 -97.21 -26.91 14.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.44 HD22 HD13 ' A' ' 81' ' ' LEU . 6.2 tp -92.15 -45.1 8.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -40.97 -33.11 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.459 ' NE ' ' HA ' ' A' ' 17' ' ' ARG . 25.2 ptt180 -93.47 -38.62 11.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.2 tp -48.06 -59.57 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.2 mt -86.65 -30.0 22.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.93 0.88 63.57 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.593 ' O ' HD12 ' A' ' 14' ' ' LEU . 23.2 mt -86.58 113.68 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -72.7 -56.64 4.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.604 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.1 m -152.6 112.11 3.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.39 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.624 ' HG2' HG11 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -139.16 -179.08 5.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.591 ' OG1' HG23 ' A' ' 31' ' ' VAL . 18.6 p -71.88 -179.03 2.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.615 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.8 ttt180 -78.6 -44.29 1.97 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.96 -5.79 17.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.624 HG11 ' HG2' ' A' ' 27' ' ' GLN . 39.2 t -98.67 -35.62 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.968 HD13 HD21 ' A' ' 14' ' ' LEU . 65.5 mt -79.31 -52.52 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.582 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.3 tt -44.09 -41.55 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.416 ' C ' ' N ' ' A' ' 36' ' ' LEU . 14.9 mm-40 -67.3 -61.03 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -42.31 -28.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.516 HD21 ' CG2' ' A' ' 74' ' ' ILE . 6.0 tp -81.57 -50.55 9.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.582 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 79.4 m95 -52.57 -45.05 66.29 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -60.53 -14.24 18.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.597 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.8 t80 -86.02 -46.66 10.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.538 HG21 ' HE1' ' A' ' 71' ' ' PHE . 67.3 mt -68.99 -23.65 27.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -48.39 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.7 m -71.91 -43.27 65.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.597 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.1 m-70 -83.82 2.17 39.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.093 . . . . 0.0 109.583 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 43' ' ' HIS . 2.0 mmpt? 39.46 60.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.643 HD13 HD12 ' A' ' 60' ' ' LEU . 45.9 mt -85.53 2.06 46.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.475 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.2 tm0? -51.63 127.86 21.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 50' ' ' GLU . 28.9 t70 -63.59 130.48 94.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -19.16 18.13 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.439 1.757 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.523 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -75.96 -54.91 6.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.588 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.519 ' CB ' ' CD1' ' A' ' 53' ' ' PHE . 4.1 mm-40 -108.66 -173.27 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.475 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -119.22 -10.47 9.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.614 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -109.41 -14.71 14.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 12.1 m-85 -88.28 167.68 13.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.655 ' CG1' HD11 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -147.77 119.81 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.481 HD21 ' HG3' ' A' ' 68' ' ' ARG . 12.8 mt -78.69 110.07 13.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 35.5 m -61.94 133.63 55.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 108.306 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.536 ' OD1' HD12 ' A' ' 60' ' ' LEU . 9.4 p-10 -72.68 178.57 4.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -48.3 -48.55 35.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 8.0 m-30 -59.21 -63.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.643 HD12 HD13 ' A' ' 45' ' ' LEU . 94.3 mt -51.67 -40.95 60.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -56.32 -21.13 22.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.88 -13.58 21.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.494 HG23 HD22 ' A' ' 81' ' ' LEU . 15.3 mt -101.87 -61.35 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.541 ' CE2' HD22 ' A' ' 60' ' ' LEU . 34.2 m-85 -75.86 -41.96 50.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 71.26 32.07 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.341 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' GLN . 0.4 OUTLIER -126.84 91.76 3.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.962 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -38.42 -49.63 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.481 ' HG3' HD21 ' A' ' 55' ' ' LEU . 8.8 ttp180 -141.29 124.81 16.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.512 ' CE ' HD13 ' A' ' 74' ' ' ILE . 1.6 ptm -138.36 165.56 26.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 1.2 mttt -86.89 144.42 26.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.614 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 2.4 m-85 -52.57 -28.45 21.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.18 -11.62 59.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -96.14 2.88 53.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.338 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.655 HD11 ' CG1' ' A' ' 54' ' ' VAL . 2.3 mm -76.36 -45.26 3.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.03 -11.49 21.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.42 1.747 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -92.87 -14.86 27.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.489 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -106.08 -14.1 15.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 78' ' ' LEU . 7.8 mt -69.01 -37.49 78.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -45.59 -28.74 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.611 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.55 -44.3 29.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.494 HD22 HG23 ' A' ' 63' ' ' ILE . 8.1 mt -75.41 -12.01 60.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 78' ' ' LEU . 78.0 mt -102.29 119.17 38.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.407 ' CE ' ' HA ' ' A' ' 15' ' ' ASP . 57.7 mtm -122.84 159.54 53.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 115.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.126 0 O-C-N 124.52 1.8 . . . . 0.0 111.0 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 27' ' ' GLN . 21.0 mt-30 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -105.18 144.15 32.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -78.42 131.6 36.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.783 HD21 HD13 ' A' ' 32' ' ' ILE . 5.7 mt -84.96 146.01 27.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -55.5 167.62 0.72 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -15.57 20.73 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.434 ' NH2' ' OD2' ' A' ' 15' ' ' ASP . 26.9 mtm180 -97.15 -28.21 14.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.683 HD22 HD13 ' A' ' 81' ' ' LEU . 7.6 tp -91.97 -48.18 6.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.48 -31.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.431 ' N ' ' C ' ' A' ' 18' ' ' LEU . 8.7 mtt180 -93.37 -46.56 7.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.34 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.477 ' HA ' HD12 ' A' ' 21' ' ' LEU . 10.6 tp -40.71 -59.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 mt -87.31 -29.73 21.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.47 -6.21 71.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.455 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.7 mt -75.24 106.4 4.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 0.744 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -63.77 -55.43 23.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.614 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 93.2 m -157.44 110.79 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.738 ' HG2' HG11 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -130.52 -169.28 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.535 ' OG1' HG23 ' A' ' 31' ' ' VAL . 37.0 p -83.09 -177.12 6.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.409 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.619 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 46.9 ttp85 -79.57 -43.84 1.6 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.09 -5.83 17.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.738 HG11 ' HG2' ' A' ' 27' ' ' GLN . 38.1 t -99.31 -44.11 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.783 HD13 HD21 ' A' ' 14' ' ' LEU . 45.4 mt -68.25 -49.49 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.587 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.2 tt -48.77 -44.53 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' TRP . 15.4 mm100 -68.62 -61.21 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.44 -30.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.545 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.7 tp -81.02 -49.29 11.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 65.6 m95 -52.71 -43.12 65.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 107.99 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -62.01 -12.88 21.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.524 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 6.3 t80 -85.66 -48.97 8.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.552 ' CD1' HG21 ' A' ' 54' ' ' VAL . 42.5 mt -67.01 -24.75 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.47 -52.04 7.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.8 m -67.44 -43.14 81.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.439 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.435 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.9 m-70 -84.36 2.51 40.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.621 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' HIS . 22.2 mttt 39.0 58.11 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.69 HD13 HD12 ' A' ' 60' ' ' LEU . 88.2 mt -85.76 3.09 42.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.463 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.4 tt0 -51.16 133.52 27.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' A' ' 50' ' ' GLU . 64.1 t0 -65.95 125.66 90.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.423 ' HD2' ' OD1' ' A' ' 47' ' ' ASP . 18.2 Cg_endo -75.01 -10.58 21.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.779 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.468 ' CB ' ' OE2' ' A' ' 50' ' ' GLU . 3.1 m170 -83.04 -48.79 10.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.468 ' OE2' ' CB ' ' A' ' 49' ' ' HIS . 13.1 mp0 -119.95 -171.77 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.463 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 4.9 mmt-85 -119.96 -10.56 9.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.61 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 3.0 pm0 -107.29 -13.48 15.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.61 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 57.7 m-85 -96.14 167.43 11.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.758 HG11 HD11 ' A' ' 74' ' ' ILE . 0.7 OUTLIER -145.22 130.26 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.46 HD21 ' HG3' ' A' ' 68' ' ' ARG . 6.1 mt -87.71 109.28 19.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 88.4 m -62.38 130.68 46.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 108.323 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.545 ' OD2' ' CD2' ' A' ' 59' ' ' TYR . 20.2 p-10 -68.61 -169.41 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -65.8 -33.3 75.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.545 ' CD2' ' OD2' ' A' ' 57' ' ' ASP . 12.4 m-30 -72.85 -52.55 14.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.69 HD12 HD13 ' A' ' 45' ' ' LEU . 87.1 mt -62.54 -37.66 86.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -57.69 -18.93 23.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -99.23 -13.5 19.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.437 HG23 ' CD2' ' A' ' 81' ' ' LEU . 12.2 mt -102.29 -59.69 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.533 ' CE2' HD22 ' A' ' 60' ' ' LEU . 42.1 m-85 -79.76 -40.18 29.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 70.69 29.92 3.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.66 94.74 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -42.37 -47.68 4.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' HG3' HD21 ' A' ' 55' ' ' LEU . 5.4 ttp180 -141.11 122.37 14.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.444 ' HE3' HG12 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.36 168.45 19.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 111.001 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.545 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 4.4 mttt -86.63 145.75 26.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.7 m-85 -54.49 -30.82 54.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.419 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 0.6 OUTLIER -76.74 -10.35 59.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.055 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -95.52 3.21 54.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.758 HD11 HG11 ' A' ' 54' ' ' VAL . 7.7 mt -77.89 -45.52 2.36 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.97 -12.12 21.57 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.516 1.798 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -89.64 -17.28 28.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.461 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -105.68 -8.66 17.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.297 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.861 HD23 HD12 ' A' ' 81' ' ' LEU . 8.4 mt -74.07 -36.53 64.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -43.06 -33.57 0.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.603 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.5 -44.96 33.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.861 HD12 HD23 ' A' ' 78' ' ' LEU . 13.9 mt -71.24 -10.84 60.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' LEU . 38.8 mt -106.07 112.85 26.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.371 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 66.1 mtm -117.86 158.91 44.58 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 115.42 4.27 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.496 1.788 . . . . 0.0 110.968 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -101.61 155.16 18.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -86.61 138.67 31.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.366 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.894 HD12 ' O ' ' A' ' 24' ' ' ILE . 3.9 mt -89.0 144.36 26.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.514 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -55.99 167.75 0.81 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -17.19 19.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' HB3' HD11 ' A' ' 63' ' ' ILE . 23.4 mtm180 -97.35 -26.77 14.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.422 HD22 HD13 ' A' ' 81' ' ' LEU . 6.4 tp -92.2 -45.2 8.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -39.95 -33.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.28 -41.45 9.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.401 ' CD2' HD12 ' A' ' 18' ' ' LEU . 11.9 tp -45.31 -57.51 3.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 mt -87.16 -34.56 19.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.55 -4.57 54.16 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.543 1.152 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.894 ' O ' HD12 ' A' ' 14' ' ' LEU . 33.6 mt -95.16 127.0 47.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.764 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -90.5 -57.55 2.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.638 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.423 ' O ' ' OE1' ' A' ' 27' ' ' GLN . 45.3 m -130.74 126.54 36.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.403 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.824 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -160.07 171.67 18.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.511 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 72.9 p -67.9 -174.31 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.662 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 6.9 ttp-105 -83.71 -42.1 0.79 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.95 -4.77 15.9 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.492 1.785 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.824 HG11 ' CG ' ' A' ' 27' ' ' GLN . 11.8 t -100.61 -32.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.495 HG21 HD21 ' A' ' 82' ' ' LEU . 59.1 mt -82.13 -53.96 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.58 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 0.7 OUTLIER -44.23 -46.83 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' LEU . 61.2 mm-40 -65.59 -61.6 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.12 -30.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.24 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.615 HD21 ' CG2' ' A' ' 74' ' ' ILE . 7.4 tp -80.48 -52.39 7.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.58 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 92.5 m95 -52.2 -45.35 65.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 108.005 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -59.17 -14.62 11.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.689 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.2 t80 -86.11 -48.3 8.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.596 HG21 ' HE1' ' A' ' 71' ' ' PHE . 24.1 mt -67.77 -23.74 29.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.97 -49.77 10.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -72.13 -46.87 54.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.394 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.689 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 5.7 m170 -78.6 -0.26 29.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.612 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt 41.04 59.73 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.721 HD13 HD12 ' A' ' 60' ' ' LEU . 78.5 mt -84.58 0.52 49.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.453 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -51.95 128.48 24.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' O ' ' A' ' 50' ' ' GLU . 35.1 t70 -61.22 131.16 92.07 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -12.15 21.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.544 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -87.69 -56.12 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.607 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 47' ' ' ASP . 5.1 mm-40 -112.67 171.68 7.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.453 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 6.7 mmt180 -107.39 -11.88 15.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.608 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 6.7 pm0 -98.57 -22.38 16.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.608 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 64.2 m-85 -90.75 168.47 11.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.737 HG11 HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -147.63 123.58 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.478 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 4.9 mt -81.83 106.42 13.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 21.3 m -61.3 133.35 55.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 108.28 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 4.1 p-10 -73.69 166.54 23.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.22 -32.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.416 ' N ' ' C ' ' A' ' 57' ' ' ASP . 10.1 m-30 -70.83 -66.76 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.721 HD12 HD13 ' A' ' 45' ' ' LEU . 96.9 mt -57.23 -30.23 64.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -64.72 -18.63 65.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.36 -15.04 18.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.403 HD11 ' HB3' ' A' ' 17' ' ' ARG . 6.7 mt -101.74 -59.3 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.585 ' CE1' HD22 ' A' ' 60' ' ' LEU . 34.5 m-85 -76.4 -36.43 58.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 66.81 30.7 7.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.61 96.08 4.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.952 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 68' ' ' ARG . 11.5 pt20 -46.39 -45.29 17.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 16.6 ttt180 -145.2 122.32 11.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 110.25 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.644 ' SD ' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.91 167.99 20.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.599 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -85.37 140.78 30.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.598 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 2.3 m-85 -52.14 -31.88 33.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -12.88 61.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.097 . . . . 0.0 109.992 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -95.43 4.79 52.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.737 HD11 HG11 ' A' ' 54' ' ' VAL . 1.6 mm -76.07 -46.37 3.75 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.99 -11.43 21.49 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.469 1.773 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -92.12 -15.32 27.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.478 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -104.82 -14.92 15.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 78' ' ' LEU . 9.1 mt -67.66 -37.37 82.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -44.15 -32.18 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.594 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.55 -48.32 22.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.447 HD11 ' CE1' ' A' ' 64' ' ' PHE . 9.4 mt -68.36 -13.48 62.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.495 HD21 HG21 ' A' ' 32' ' ' ILE . 81.8 mt -101.56 119.94 39.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 62.1 mtm -120.48 160.88 42.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 113.56 3.82 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -100.16 157.65 16.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -91.19 129.52 37.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.815 HD21 HD13 ' A' ' 32' ' ' ILE . 6.3 mt -80.21 148.37 30.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -59.25 166.7 2.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -15.65 20.8 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.564 1.823 . . . . 0.0 111.028 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.26 -28.14 14.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.693 HD22 HD13 ' A' ' 81' ' ' LEU . 6.5 tp -92.06 -46.71 7.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.12 -30.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.45 ' N ' ' C ' ' A' ' 18' ' ' LEU . 1.3 mtt180 -94.53 -45.18 7.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.501 HD23 HD12 ' A' ' 18' ' ' LEU . 16.3 tp -40.54 -60.75 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.4 mt -85.39 -37.4 19.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.91 13.86 44.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.601 ' O ' HD12 ' A' ' 14' ' ' LEU . 11.0 mt -94.19 99.74 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -50.81 -62.94 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.599 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -157.12 119.8 3.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.375 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.721 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -138.59 -168.36 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.565 ' OG1' ' CG2' ' A' ' 31' ' ' VAL . 34.4 p -83.47 -166.96 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.565 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 11.4 ttp180 -83.54 -47.85 0.76 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.02 -5.39 16.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.721 HG11 ' CG ' ' A' ' 27' ' ' GLN . 48.1 t -99.79 -24.66 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.815 HD13 HD21 ' A' ' 14' ' ' LEU . 68.2 mt -94.78 -54.03 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.604 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.0 OUTLIER -42.45 -41.94 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' LEU . 45.1 mm-40 -66.04 -60.15 3.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.04 -29.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.596 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 5.7 tp -81.39 -52.28 7.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 90.0 m95 -52.49 -45.49 66.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.434 ' HA ' ' NE2' ' A' ' 38' ' ' GLN . 8.7 tp60 -61.87 -12.72 19.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.594 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 4.7 t80 -87.98 -49.9 6.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.54 HG21 ' HE1' ' A' ' 71' ' ' PHE . 21.6 mt -68.11 -20.62 25.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.85 -47.85 10.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -74.31 -44.6 51.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.594 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 5.8 m-70 -80.43 2.9 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.618 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' HIS . 10.7 mmtt 39.27 60.09 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.73 HD13 HD12 ' A' ' 60' ' ' LEU . 90.7 mt -87.36 0.05 56.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.476 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.8 tt0 -52.04 128.37 24.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' O ' ' A' ' 50' ' ' GLU . 27.9 t70 -58.41 129.42 83.8 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -11.98 21.44 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.523 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -85.33 -54.35 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.618 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.2 mm-40 -113.89 -175.4 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.476 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 7.2 mmt180 -116.38 -15.29 10.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.627 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 4.5 pm0 -98.39 -21.32 16.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.627 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 52.9 m-85 -88.43 165.49 14.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.633 HG11 HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -146.5 124.99 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.483 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 3.6 mt -84.4 108.08 17.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 56.2 m -61.05 131.79 51.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 108.304 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.19 -178.84 2.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.52 -56.95 6.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.508 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 4.4 m-30 -53.4 -62.6 1.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.73 HD12 HD13 ' A' ' 45' ' ' LEU . 85.0 mt -50.69 -42.86 57.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -58.14 -16.9 15.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.19 -14.73 19.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.492 HG23 HD21 ' A' ' 81' ' ' LEU . 8.8 mt -102.95 -59.15 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.559 ' CE2' HD22 ' A' ' 60' ' ' LEU . 58.9 m-85 -83.15 -38.17 22.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 65.35 28.39 11.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 77.4 p -111.85 89.72 3.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -41.66 -44.78 3.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.483 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 28.8 ttt180 -149.37 121.25 8.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -140.51 169.05 18.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.617 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -87.91 143.43 27.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.597 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.5 m-85 -53.69 -28.87 36.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.9 t -74.8 -11.71 60.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -95.76 3.82 53.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.633 HD11 HG11 ' A' ' 54' ' ' VAL . 1.5 mm -75.95 -45.82 3.88 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.97 -11.12 21.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.769 . . . . 0.0 111.027 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -92.95 -13.66 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.31 -16.39 14.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.599 HD23 HD12 ' A' ' 81' ' ' LEU . 8.1 mt -67.58 -39.35 84.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -42.42 -35.29 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.604 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.44 -51.4 29.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.693 HD13 HD22 ' A' ' 18' ' ' LEU . 23.1 mt -65.43 -18.73 65.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 78' ' ' LEU . 86.9 mt -95.74 114.42 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 75.9 mtm -114.6 161.28 29.58 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 113.76 3.86 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 110.981 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 t -166.25 110.28 0.79 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 0.774 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.1 p -92.15 159.51 15.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.018 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.09 -174.39 0.11 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -167.07 103.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 0.787 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m 56.75 95.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.58 172.57 12.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -39.95 143.07 0.62 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.2 39.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.412 ' O ' ' HA ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.97 95.04 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.445 1.761 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.425 ' HG3' HG22 ' A' ' 28' ' ' THR . 2.7 mt-30 -107.36 139.42 41.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.487 ' CE1' ' HB2' ' A' ' 29' ' ' ARG . 23.4 m-85 -120.7 144.61 48.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' NZ ' ' HA ' ' A' ' 85' ' ' PRO . 3.8 ttpm? -80.05 130.36 35.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.03 HD21 HD13 ' A' ' 32' ' ' ILE . 6.4 mt -84.64 145.83 27.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -55.02 167.66 0.62 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -16.9 20.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.572 1.827 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.95 -27.5 14.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.61 HD22 HD13 ' A' ' 81' ' ' LEU . 7.3 tp -91.65 -46.59 7.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.83 -30.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.429 ' N ' ' C ' ' A' ' 18' ' ' LEU . 27.6 mtt85 -95.57 -44.61 7.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.49 HD22 ' CD1' ' A' ' 63' ' ' ILE . 13.9 tp -41.25 -59.26 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 mt -87.43 -35.23 18.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.79 12.67 52.59 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.472 ' O ' HD12 ' A' ' 14' ' ' LEU . 19.5 mt -91.59 99.22 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -50.37 -62.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.582 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 m -157.36 114.67 3.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.42 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.531 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -135.26 -173.0 3.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.575 ' OG1' HG23 ' A' ' 31' ' ' VAL . 24.6 p -79.33 -177.48 5.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.418 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.609 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 2.8 ttt180 -78.42 -44.89 2.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.91 -6.2 17.79 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.575 HG23 ' OG1' ' A' ' 28' ' ' THR . 43.8 t -99.55 -31.54 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.03 HD13 HD21 ' A' ' 14' ' ' LEU . 63.4 mt -84.6 -53.35 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.446 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.7 tt -41.43 -43.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.356 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 37' ' ' TRP . 16.3 mm-40 -65.3 -62.51 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.47 -29.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 5.9 tp -80.75 -51.08 9.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.446 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 69.0 m95 -52.55 -43.98 65.53 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.434 ' HA ' ' NE2' ' A' ' 38' ' ' GLN . 10.7 tp60 -60.93 -13.63 17.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.601 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.3 t80 -86.11 -47.3 9.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.502 HG21 ' HE1' ' A' ' 71' ' ' PHE . 47.8 mt -68.05 -23.63 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.91 -49.61 9.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.9 m -71.17 -43.88 66.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.419 1.074 . . . . 0.0 110.392 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.601 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.3 m-70 -83.31 0.73 44.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.599 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 43' ' ' HIS . 8.7 mttt 39.66 58.09 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.759 HD13 HD12 ' A' ' 60' ' ' LEU . 89.7 mt -82.6 1.57 37.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.468 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.2 tt0 -52.01 127.83 22.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' A' ' 50' ' ' GLU . 31.1 t70 -57.92 129.88 82.35 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -11.34 21.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.786 . . . . 0.0 111.043 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.513 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -88.01 -55.08 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.631 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' A' ' 47' ' ' ASP . 5.2 mm-40 -111.02 175.23 5.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.468 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 31.2 mtt180 -112.19 -5.05 14.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.606 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 4.1 pm0 -107.48 -20.91 13.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.606 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 62.0 m-85 -90.63 167.69 12.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.654 ' CG1' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -146.55 121.46 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.475 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 3.7 mt -80.97 113.38 19.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 18.3 m -63.9 133.38 53.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 108.358 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.96 179.77 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -48.27 -51.44 25.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.524 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 3.8 m-30 -59.64 -60.14 4.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.759 HD12 HD13 ' A' ' 45' ' ' LEU . 54.0 mt -51.84 -42.79 62.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -58.03 -17.74 19.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -99.2 -14.41 19.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.49 ' CD1' HD22 ' A' ' 21' ' ' LEU . 10.8 mt -102.54 -57.81 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.592 ' CE2' HD22 ' A' ' 60' ' ' LEU . 46.7 m-85 -79.61 -39.59 31.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 111.042 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 68.63 31.12 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.65 95.59 4.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -43.45 -46.97 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.475 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 14.9 ttt180 -142.69 124.57 15.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -139.2 166.34 24.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.584 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -86.48 144.18 27.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 3.8 m-85 -53.52 -28.75 32.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.403 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 9.2 t -79.4 -11.12 59.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.016 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -96.18 1.39 52.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.24 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.654 HD11 ' CG1' ' A' ' 54' ' ' VAL . 2.3 mm -74.8 -45.29 5.21 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.99 -11.7 21.5 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -87.81 -16.69 33.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.2 -16.82 14.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.574 HD23 HD12 ' A' ' 81' ' ' LEU . 9.3 mt -65.51 -43.47 89.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.458 ' CD2' ' O ' ' A' ' 75' ' ' PRO . 98.7 m-70 -41.56 -36.21 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.57 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.05 -50.84 37.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.61 HD13 HD22 ' A' ' 18' ' ' LEU . 23.4 mt -64.33 -26.39 68.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 78' ' ' LEU . 80.4 mt -88.12 121.36 30.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 55.1 mtm -123.05 158.51 57.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 113.65 3.84 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.46 1.768 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -75.0 55.23 3.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.779 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -151.73 155.68 34.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.253 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.458 1.768 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.6 p -171.57 -40.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -173.36 158.57 28.12 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 157.48 42.49 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.6 t 65.03 98.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.58 152.81 40.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.954 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.64 ' N ' HH21 ' A' ' 29' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.63 157.2 24.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.753 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.95 104.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.983 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.68 146.84 4.9 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 42.3 89.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 0.799 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.95 -56.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.94 145.2 7.2 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 39.69 86.69 0.13 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.342 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 171.97 17.29 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.44 1.758 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.6 ' O ' HG22 ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.0 134.68 18.11 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.569 1.826 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -138.14 120.69 16.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.437 ' HB2' HD22 ' A' ' 82' ' ' LEU . 37.1 m-85 -109.05 149.63 28.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -81.83 137.13 35.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.973 HD21 HD13 ' A' ' 32' ' ' ILE . 4.6 mt -88.3 145.37 25.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.49 166.95 1.46 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -16.32 20.27 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -97.29 -27.26 14.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.639 HD22 HD13 ' A' ' 81' ' ' LEU . 7.3 tp -92.34 -46.63 7.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.28 -29.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.442 ' N ' ' C ' ' A' ' 18' ' ' LEU . 16.9 mtt-85 -94.98 -48.22 6.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.2 tp -40.32 -60.51 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.9 mt -82.76 -38.36 23.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.39 6.51 56.56 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.615 ' O ' HD12 ' A' ' 14' ' ' LEU . 9.2 mt -88.68 109.49 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.767 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -63.19 -61.35 2.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.565 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 m -154.6 115.22 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.427 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.727 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -136.85 -166.97 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 10' ' ' PRO . 34.3 p -84.77 -167.08 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.424 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.64 HH21 ' N ' ' A' ' 1' ' ' GLY . 12.0 ttp85 -82.88 -47.73 0.83 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.02 -4.77 15.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.534 1.807 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.727 HG11 ' CG ' ' A' ' 27' ' ' GLN . 51.0 t -100.5 -27.45 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.973 HD13 HD21 ' A' ' 14' ' ' LEU . 86.0 mt -91.0 -44.23 14.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' A' ' 75' ' ' PRO . 2.4 tt -54.88 -41.82 59.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.415 ' C ' ' N ' ' A' ' 36' ' ' LEU . 91.0 mm-40 -64.48 -57.91 7.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.79 -26.27 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.738 HD21 ' CG2' ' A' ' 74' ' ' ILE . 6.1 tp -84.26 -49.55 8.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.432 ' HZ3' ' CD1' ' A' ' 71' ' ' PHE . 72.3 m95 -54.4 -44.29 72.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 108.021 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -62.17 -12.79 21.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.545 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.4 t80 -86.96 -47.63 8.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.536 HG21 ' HE1' ' A' ' 71' ' ' PHE . 37.6 mt -69.01 -21.94 25.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -84.1 -47.98 10.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.3 m -73.25 -41.91 63.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.441 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.545 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.2 m-70 -85.05 1.52 47.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.583 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 43' ' ' HIS . 11.7 mmtt 38.85 60.06 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.699 HD13 HD12 ' A' ' 60' ' ' LEU . 82.9 mt -84.64 1.5 45.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.47 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -51.88 129.01 25.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' A' ' 50' ' ' GLU . 30.2 t70 -59.28 129.6 86.65 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -12.62 21.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.545 1.813 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.52 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -85.98 -53.88 4.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.59 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 47' ' ' ASP . 6.0 mm-40 -110.35 -175.58 2.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.1 -13.82 9.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.596 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 7.0 pm0 -100.95 -21.44 15.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.587 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 45.5 m-85 -86.35 166.46 15.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.642 HG11 HD11 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -146.26 119.2 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.525 HD21 ' HG3' ' A' ' 68' ' ' ARG . 11.7 mt -79.55 105.54 10.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 36.0 m -56.61 137.55 53.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 108.235 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.08 179.4 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -56.52 -33.84 66.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.421 ' N ' ' HG2' ' A' ' 58' ' ' LYS . 14.0 m-85 -73.25 -52.67 13.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.699 HD12 HD13 ' A' ' 45' ' ' LEU . 91.8 mt -62.22 -39.63 93.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -56.63 -19.62 17.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -99.3 -13.53 19.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.483 HG23 ' CD2' ' A' ' 81' ' ' LEU . 12.9 mt -101.65 -59.9 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.548 ' CE1' HD22 ' A' ' 60' ' ' LEU . 33.6 m-85 -76.03 -37.73 58.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 69.48 30.16 4.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.453 ' OG ' ' NH1' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -126.77 93.55 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -41.45 -48.91 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.525 ' HG3' HD21 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -141.64 122.95 14.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.54 ' HE2' HD13 ' A' ' 74' ' ' ILE . 1.2 ptm -138.1 162.7 33.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.585 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -82.56 144.58 30.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 3.7 m-85 -53.45 -25.99 18.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.0 -12.1 60.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -96.44 2.97 53.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.738 ' CG2' HD21 ' A' ' 36' ' ' LEU . 2.9 mm -76.19 -45.33 3.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.98 -12.21 21.55 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -93.31 -15.4 25.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.509 ' HB3' ' CD2' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -103.38 -12.72 17.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.497 ' HA ' HD23 ' A' ' 78' ' ' LEU . 9.0 mt -70.46 -37.14 74.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -45.34 -33.12 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.674 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.47 -47.3 49.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.639 HD13 HD22 ' A' ' 18' ' ' LEU . 12.2 mt -71.86 -13.46 61.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.437 HD22 ' HB2' ' A' ' 12' ' ' PHE . 86.0 mt -99.84 117.12 33.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 59.6 mtm -118.11 158.7 45.57 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 115.73 4.38 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.447 1.761 . . . . 0.0 111.018 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 54.97 3.8 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.436 1.756 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -147.81 156.0 44.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -42.05 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.545 1.813 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.35 93.06 4.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.049 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -93.05 158.46 23.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -52.64 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 t -101.87 97.75 8.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.9 t 56.36 104.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.45 1.094 . . . . 0.0 110.971 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.4 88.37 7.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.798 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -164.53 138.49 5.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.2 -147.64 9.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t 62.64 116.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 0.73 . . . . 0.0 110.014 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.7 143.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.004 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.29 -112.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -54.11 145.01 36.51 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 154.96 43.0 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.976 ' O ' HG22 ' A' ' 28' ' ' THR . 18.1 Cg_endo -75.02 171.32 18.56 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.523 1.801 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -164.28 118.1 1.41 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -104.74 150.82 24.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -82.46 130.75 35.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.977 HD21 HD13 ' A' ' 32' ' ' ILE . 5.4 mt -82.1 146.0 29.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.509 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.52 166.84 1.52 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.0 20.43 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -97.32 -27.53 14.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 21' ' ' LEU . 7.2 tp -92.14 -47.2 7.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -42.43 -30.1 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -95.36 -33.92 12.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.082 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' LEU . 12.7 tp -53.37 -61.08 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.7 mt -84.69 -29.62 25.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.66 9.23 63.04 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 111.029 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.515 ' O ' HD12 ' A' ' 14' ' ' LEU . 5.8 mt -88.71 107.05 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -58.76 -62.73 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.581 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 m -156.55 110.97 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.668 ' CG ' HG11 ' A' ' 31' ' ' VAL . 1.2 mp0 -129.63 -167.59 1.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.976 HG22 ' O ' ' A' ' 10' ' ' PRO . 33.5 p -84.18 -167.14 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.569 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.5 ttp-105 -82.73 -47.65 0.86 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.98 -4.68 15.77 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.668 HG11 ' CG ' ' A' ' 27' ' ' GLN . 46.7 t -100.34 -29.37 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.977 HD13 HD21 ' A' ' 14' ' ' LEU . 83.5 mt -88.56 -45.21 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.48 HD11 ' HB3' ' A' ' 75' ' ' PRO . 1.8 tt -53.94 -42.65 54.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.427 ' C ' ' N ' ' A' ' 36' ' ' LEU . 42.9 mm-40 -64.72 -61.53 2.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.356 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -41.82 -28.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.527 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.9 tp -81.48 -50.38 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 75.3 m95 -52.93 -46.19 68.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 107.997 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -59.57 -14.91 15.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.709 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 4.8 t80 -85.54 -47.54 9.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.641 HG23 ' HB2' ' A' ' 45' ' ' LEU . 56.5 mt -66.18 -23.55 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -84.4 -51.39 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.5 m -68.82 -42.43 77.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.709 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.6 m-70 -85.14 2.3 44.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.588 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt 42.57 58.41 3.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.834 HD13 HD12 ' A' ' 60' ' ' LEU . 75.3 mt -80.84 -5.05 56.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.466 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -51.78 124.02 11.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.302 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 50' ' ' GLU . 32.9 t70 -56.26 130.68 75.18 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -12.74 21.48 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.761 . . . . 0.0 110.978 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.519 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -86.98 -54.49 4.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.585 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.0 mm-40 -109.26 -176.74 3.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.466 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 4.3 mmt-85 -118.97 -10.61 9.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.614 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 3.9 pm0 -103.59 -20.73 13.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.614 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 53.6 m-85 -88.65 168.23 12.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.681 HG11 HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -147.29 120.1 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.453 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 5.2 mt -81.8 105.54 13.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.0 m -57.45 132.82 54.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 108.316 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -68.11 178.67 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -49.23 -48.47 45.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.494 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 4.8 m-30 -60.05 -60.46 3.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.834 HD12 HD13 ' A' ' 45' ' ' LEU . 93.8 mt -53.24 -42.18 66.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -56.48 -18.56 11.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -99.3 -14.75 19.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.457 HG23 HD22 ' A' ' 81' ' ' LEU . 13.5 mt -101.68 -59.83 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.56 ' CE2' HD22 ' A' ' 60' ' ' LEU . 36.9 m-85 -75.39 -37.4 60.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 68.9 28.88 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.56 98.49 5.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -47.26 -44.65 23.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.453 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 29.3 ttp180 -142.32 123.86 14.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.261 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.567 ' CE ' HD13 ' A' ' 74' ' ' ILE . 2.3 ptm -138.99 165.38 27.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.576 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -86.25 143.84 27.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.611 ' HE1' HG21 ' A' ' 40' ' ' ILE . 3.9 m-85 -54.25 -29.01 45.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.7 t -77.39 -11.88 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -96.28 2.76 53.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.681 HD11 HG11 ' A' ' 54' ' ' VAL . 2.4 mm -75.66 -45.48 4.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.02 -11.57 21.45 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.461 1.769 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -93.16 -16.0 25.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.01 -18.13 15.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.548 HD23 HD12 ' A' ' 81' ' ' LEU . 8.2 mt -65.77 -39.81 91.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -43.17 -33.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.607 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.77 -47.59 37.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.548 HD12 HD23 ' A' ' 78' ' ' LEU . 14.4 mt -68.71 -16.9 63.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' LEU . 61.1 mt -96.1 124.15 39.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.441 ' CE ' ' HA ' ' A' ' 15' ' ' ASP . 40.7 mtm -120.59 158.55 51.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 113.41 3.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.95 3.8 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.772 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -136.86 156.85 75.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -49.72 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.78 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.9 t 67.74 102.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -56.65 162.74 6.59 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 64.03 6.0 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 m -87.62 96.07 10.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.4 t -63.68 160.54 16.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.578 1.174 . . . . 0.0 111.038 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.54 -58.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 0.77 . . . . 0.0 110.042 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.9 t -52.65 134.01 36.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.03 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.91 -164.55 36.62 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -139.56 155.35 47.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 110.039 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.6 p -98.84 155.71 17.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.96 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.44 -138.29 48.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.78 121.27 2.28 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.52 0.776 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 170.69 19.86 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 171.15 18.88 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 27' ' ' GLN . 11.1 mt-30 -164.18 110.27 1.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -102.08 151.13 22.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' O ' ' SD ' ' A' ' 83' ' ' MET . 2.7 ttpp -86.22 125.32 33.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.745 HD21 HD13 ' A' ' 32' ' ' ILE . 5.0 mt -76.3 145.2 39.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.508 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -54.99 167.24 0.66 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.93 19.87 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.535 1.808 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -97.51 -27.06 14.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.527 HD22 HD13 ' A' ' 81' ' ' LEU . 6.7 tp -91.77 -45.65 8.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -39.37 -32.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' N ' ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -93.43 -47.87 6.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.5 tp -40.1 -60.51 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.8 mt -84.27 -38.65 20.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.66 7.88 58.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.555 1.159 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.633 ' O ' HD12 ' A' ' 14' ' ' LEU . 12.8 mt -89.6 96.52 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -50.82 -62.0 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.578 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 84.9 m -152.28 124.48 8.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.704 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -146.99 -171.19 3.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.563 ' OG1' HG23 ' A' ' 31' ' ' VAL . 32.0 p -81.14 -176.72 6.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.419 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.612 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.5 ttt180 -78.75 -44.48 1.9 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.99 -6.54 18.19 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.704 HG11 ' CG ' ' A' ' 27' ' ' GLN . 37.6 t -97.84 -36.85 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.745 HD13 HD21 ' A' ' 14' ' ' LEU . 53.1 mt -78.15 -50.31 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.593 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.4 tt -48.14 -40.24 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.424 ' C ' ' N ' ' A' ' 36' ' ' LEU . 3.3 mm100 -67.11 -61.03 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.02 -27.83 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.517 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.8 tp -82.67 -49.13 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.593 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 76.5 m95 -53.55 -44.3 69.14 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -12.67 24.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.628 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.2 t80 -86.52 -47.82 8.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.04 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.487 HG21 ' HE1' ' A' ' 71' ' ' PHE . 22.7 mt -68.26 -22.15 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.26 -48.6 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -72.17 -42.3 66.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.628 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 5.7 m-70 -84.59 3.41 36.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 38.86 59.11 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.693 HD13 HD12 ' A' ' 60' ' ' LEU . 83.7 mt -84.71 -0.97 55.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.461 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.3 tt0 -51.57 126.95 18.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 50' ' ' GLU . 27.3 t70 -58.56 128.47 83.33 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -11.47 21.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.52 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -86.5 -52.92 5.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 109.59 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.463 ' O ' ' O ' ' A' ' 47' ' ' ASP . 5.7 mm-40 -112.7 -176.0 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.461 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.34 -12.77 9.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.608 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 4.8 pm0 -101.26 -21.73 14.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.608 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 57.7 m-85 -88.01 167.21 13.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.615 HG11 HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -147.28 121.98 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.475 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 2.1 mt -81.94 110.05 16.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.3 m -59.6 141.13 55.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 108.294 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.77 176.53 6.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.552 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -51.89 -37.61 52.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.552 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 10.6 m-85 -71.53 -54.9 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.693 HD12 HD13 ' A' ' 45' ' ' LEU . 88.8 mt -58.69 -41.22 85.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -56.83 -18.27 12.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -99.54 -13.71 19.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 110.226 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.4 mt -101.94 -57.61 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.585 ' CE2' HD22 ' A' ' 60' ' ' LEU . 42.5 m-85 -79.03 -39.05 35.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 70.22 30.25 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.4 95.75 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -46.61 -44.26 18.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.475 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 14.9 ttt180 -144.9 123.16 12.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -139.67 166.42 24.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.6 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -86.63 142.93 27.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.545 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.4 m-85 -52.27 -31.91 34.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.403 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -74.34 -11.69 60.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -95.98 2.13 53.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.3 mm -75.53 -45.35 4.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.07 -11.2 21.35 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -93.0 -15.48 26.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.49 -15.97 14.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 78' ' ' LEU . 7.7 mt -67.65 -37.44 82.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -46.44 -29.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.581 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.44 -46.73 30.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.527 HD13 HD22 ' A' ' 18' ' ' LEU . 16.1 mt -70.76 -20.45 62.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.416 HD21 HG21 ' A' ' 32' ' ' ILE . 77.5 mt -94.23 113.76 25.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -112.65 157.48 40.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 111.011 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.5 3.81 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.542 1.812 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 54.73 3.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -147.38 154.28 45.21 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t 50.21 81.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -122.93 169.87 15.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 88.24 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.474 1.776 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 t -135.81 -59.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.11 94.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -164.84 -58.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 110.023 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 p -161.21 132.45 5.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.986 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.83 -150.24 5.19 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.443 1.089 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 m 51.11 98.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.982 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.61 148.05 6.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.46 -59.03 6.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -113.32 112.93 48.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 158.87 41.93 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.507 ' O ' HG22 ' A' ' 28' ' ' THR . 18.2 Cg_endo -74.99 171.03 19.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.526 1.803 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -165.93 109.37 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -103.92 152.54 21.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -83.01 127.24 33.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.0 HD21 HD13 ' A' ' 32' ' ' ILE . 4.9 mt -80.39 145.65 31.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.24 166.88 1.36 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -15.05 20.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.2 mtm-85 -97.52 -28.22 14.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.442 ' C ' ' N ' ' A' ' 20' ' ' ARG . 6.4 tp -91.92 -47.92 7.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.38 -29.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.442 ' N ' ' C ' ' A' ' 18' ' ' LEU . 1.2 ptt180 -95.82 -41.62 8.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 14.6 tp -45.57 -59.66 2.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.5 mt -87.4 -34.02 18.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.59 12.88 55.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.549 ' O ' HD12 ' A' ' 14' ' ' LEU . 11.3 mt -90.42 102.39 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -58.07 -59.27 5.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.589 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 54.4 m -156.01 114.85 3.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.461 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 0.7 OUTLIER -138.14 -176.06 4.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.6 ' OG1' HG23 ' A' ' 31' ' ' VAL . 16.3 p -74.74 179.39 4.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.627 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 23.2 ttp180 -78.07 -43.97 2.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.99 -6.01 17.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.6 HG23 ' OG1' ' A' ' 28' ' ' THR . 41.3 t -99.17 -37.04 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.0 HD13 HD21 ' A' ' 14' ' ' LEU . 58.2 mt -76.78 -49.18 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.571 HG13 HD12 ' A' ' 78' ' ' LEU . 1.4 tt -48.37 -39.92 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.411 ' C ' ' N ' ' A' ' 36' ' ' LEU . 1.6 mm100 -65.67 -58.9 4.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.02 -27.95 0.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.589 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 5.9 tp -82.97 -49.59 9.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.566 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 88.7 m95 -53.82 -48.13 70.19 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.447 ' HA ' ' NE2' ' A' ' 38' ' ' GLN . 13.5 tp60 -59.01 -15.79 14.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.487 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 5.1 t80 -84.04 -48.09 10.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.615 HG21 ' HE1' ' A' ' 71' ' ' PHE . 24.0 mt -67.25 -27.91 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -53.17 7.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.5 m -66.24 -44.92 82.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.378 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' LYS . 5.5 m-70 -84.07 1.85 42.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.555 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 43' ' ' HIS . 49.9 mttt 39.65 58.97 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.718 HD13 HD12 ' A' ' 60' ' ' LEU . 86.9 mt -82.0 0.34 40.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.466 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.1 tt0 -52.23 125.61 16.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.438 ' O ' ' O ' ' A' ' 50' ' ' GLU . 31.0 t70 -54.67 130.54 64.46 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -12.17 21.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.51 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -86.35 -53.08 5.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.628 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 47' ' ' ASP . 3.9 mm-40 -111.45 -173.07 2.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.466 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 10.0 mmt180 -120.23 -12.35 9.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.598 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 3.4 pm0 -102.16 -21.05 14.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.598 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 52.1 m-85 -86.97 164.4 16.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.753 HG11 HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -143.04 118.71 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.522 HD21 ' HG3' ' A' ' 68' ' ' ARG . 12.7 mt -79.12 98.5 6.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 12.4 m -54.84 135.33 47.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 108.241 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.545 ' OD2' ' CG ' ' A' ' 59' ' ' TYR . 5.0 p-10 -73.07 -178.92 3.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -50.31 -48.94 54.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.545 ' CG ' ' OD2' ' A' ' 57' ' ' ASP . 7.3 m-30 -58.11 -62.12 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.718 HD12 HD13 ' A' ' 45' ' ' LEU . 93.2 mt -54.07 -42.0 68.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -56.76 -19.75 18.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -98.83 -14.53 19.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.4 mt -102.0 -62.49 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.556 ' CE2' HD22 ' A' ' 60' ' ' LEU . 34.5 m-85 -73.03 -35.16 66.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 66.29 30.07 9.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.67 96.2 4.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -44.95 -46.17 10.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.247 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.522 ' HG3' HD21 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -146.3 121.95 10.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.275 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.498 ' CE ' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.73 167.61 21.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -85.98 143.8 27.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.615 ' HE1' HG21 ' A' ' 40' ' ' ILE . 4.7 m-85 -53.04 -25.39 12.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.9 t -78.02 -12.05 59.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -96.08 3.04 53.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.753 HD11 HG11 ' A' ' 54' ' ' VAL . 1.9 mm -74.83 -45.42 5.14 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.95 -12.05 21.6 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -93.3 -14.89 26.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.452 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -105.1 -13.17 15.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.571 HD12 HG13 ' A' ' 33' ' ' ILE . 8.5 mt -70.5 -41.03 73.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -40.54 -36.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.63 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.05 -49.11 48.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.495 HD12 HD23 ' A' ' 78' ' ' LEU . 8.3 mt -66.81 -19.87 65.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' LEU . 42.3 mt -98.05 118.19 34.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 61.9 mtm -116.57 158.77 42.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 113.41 3.79 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.78 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 169.37 22.77 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.502 1.791 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -127.18 156.2 74.98 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -37.18 2.17 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.89 -34.16 68.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.08 155.43 52.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 65.3 6.08 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.83 -61.15 2.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.971 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.3 t -109.74 -56.84 2.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.542 1.151 . . . . 0.0 111.035 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.9 p -109.6 167.15 10.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.955 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.73 84.98 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.34 71.47 2.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 p -124.45 158.98 31.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.974 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -129.86 80.87 1.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.011 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.33 -79.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.44 144.42 28.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 164.58 33.1 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.552 ' O ' HG22 ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.03 143.77 29.36 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 27' ' ' GLN . 3.7 mt-30 -148.65 106.56 3.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -104.25 147.63 27.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -80.06 144.97 32.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.558 HD12 ' O ' ' A' ' 24' ' ' ILE . 3.2 mt -96.48 138.94 33.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -53.83 164.96 0.82 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -14.37 21.09 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.528 1.804 . . . . 0.0 110.971 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mtm-85 -97.62 -28.29 14.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.854 HD22 HD13 ' A' ' 81' ' ' LEU . 9.2 tp -92.27 -45.88 8.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -47.97 -29.54 3.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -91.36 -26.01 19.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 18' ' ' LEU . 12.4 tp -66.73 -58.77 4.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.3 mt -82.08 -40.06 22.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.88 12.26 28.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.525 1.14 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.558 ' O ' HD12 ' A' ' 14' ' ' LEU . 18.8 mt -106.86 128.53 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.47 ' H ' ' CD2' ' A' ' 25' ' ' HIS . 5.4 p80 -86.53 -65.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.608 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.421 ' O ' ' CD ' ' A' ' 27' ' ' GLN . 3.2 m -133.4 117.2 16.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.379 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.726 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -144.94 -174.71 4.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.709 ' O ' HD12 ' A' ' 32' ' ' ILE . 46.4 p -80.93 -175.37 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.373 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.607 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.3 tpp85 -78.28 -45.58 2.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.97 -5.85 17.33 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.726 HG11 ' CG ' ' A' ' 27' ' ' GLN . 40.6 t -99.24 -24.62 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.709 HD12 ' O ' ' A' ' 28' ' ' THR . 26.0 mt -94.4 -52.89 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.6 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.2 tt -45.82 -42.75 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 37' ' ' TRP . 34.2 mm-40 -68.61 -61.12 1.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -41.64 -28.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 5.6 tp -82.97 -48.92 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.6 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 71.8 m95 -52.79 -51.9 58.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.02 -19.74 2.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.281 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.755 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 4.8 t80 -80.25 -47.37 14.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.522 HG23 ' HB2' ' A' ' 45' ' ' LEU . 72.6 mt -62.92 -28.03 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' O ' ' CE ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -81.95 -55.5 4.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.6 m -62.63 -39.89 95.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.755 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.1 m-70 -90.24 4.77 49.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.632 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.41 ' CE ' ' O ' ' A' ' 41' ' ' LYS . 3.0 mmpt? 39.59 59.39 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.712 HD13 HD12 ' A' ' 60' ' ' LEU . 93.0 mt -81.29 -4.84 56.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.9 OUTLIER -51.69 123.76 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' A' ' 50' ' ' GLU . 33.3 t70 -57.92 130.5 82.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -11.68 21.6 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.459 1.768 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.54 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -88.12 -55.38 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.575 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' A' ' 47' ' ' ASP . 7.6 mm-40 -111.31 173.99 6.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 25.5 mtt180 -112.14 -2.83 14.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.621 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 1.7 pm0 -108.15 -21.73 12.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.621 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 72.7 m-85 -92.47 167.81 11.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.724 ' CG1' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -145.51 122.12 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.478 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 3.4 mt -80.31 107.39 13.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 12.6 m -55.76 141.21 39.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.312 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.98 177.49 7.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.411 ' HE3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -54.24 -31.85 54.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.411 ' CE1' ' HE3' ' A' ' 58' ' ' LYS . 12.1 m-85 -76.01 -52.84 9.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.712 HD12 HD13 ' A' ' 45' ' ' LEU . 93.7 mt -62.6 -39.22 93.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -56.84 -19.44 17.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -99.29 -13.77 19.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.552 HG23 HD21 ' A' ' 81' ' ' LEU . 12.5 mt -101.98 -59.37 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.63 ' CE2' HD22 ' A' ' 60' ' ' LEU . 45.0 m-85 -77.15 -37.92 52.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 68.23 30.6 5.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.83 97.09 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -45.83 -45.75 15.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 10.2 ttt180 -142.77 124.37 14.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.2 ptm -139.31 166.31 24.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.584 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -84.43 141.67 30.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.544 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 3.4 m-85 -51.55 -35.95 43.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -11.37 60.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.049 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -96.15 3.35 53.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.724 HD11 ' CG1' ' A' ' 54' ' ' VAL . 2.4 mm -76.62 -45.35 3.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.98 -11.65 21.52 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.789 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -88.17 -14.75 37.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.418 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -106.62 -15.85 14.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.35 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.531 HD23 HD12 ' A' ' 81' ' ' LEU . 8.8 mt -65.64 -39.72 91.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -42.59 -32.06 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.088 . . . . 0.0 109.575 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.88 -47.96 27.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.854 HD13 HD22 ' A' ' 18' ' ' LEU . 15.0 mt -72.59 -9.51 58.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.52 HD21 HG21 ' A' ' 32' ' ' ILE . 91.6 mt -104.36 112.05 24.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 55.1 mtm -115.78 158.68 41.47 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 117.91 5.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 54.95 3.8 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.526 1.803 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -123.83 156.29 65.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -35.67 2.99 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.78 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.05 -45.58 21.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.05 164.4 39.44 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -44.99 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 111.046 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.1 p -168.92 -57.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.4 t -96.52 -64.86 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -92.28 -57.52 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.978 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t 61.87 125.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.975 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.42 52.98 0.61 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.558 1.161 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.94 144.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 109.984 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.9 p -90.03 165.17 14.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.08 -144.76 23.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -44.89 150.65 0.7 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.513 0.773 . . . . 0.0 110.288 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 157.3 42.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.711 ' O ' HG22 ' A' ' 28' ' ' THR . 18.4 Cg_endo -74.98 163.18 35.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -162.19 111.46 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 110.303 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -103.84 154.16 19.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -84.65 133.0 34.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.007 HD21 HD13 ' A' ' 32' ' ' ILE . 5.2 mt -86.9 144.78 26.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -54.86 167.47 0.62 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -16.69 20.09 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.491 1.785 . . . . 0.0 110.961 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -96.93 -27.14 14.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.28 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.543 HD22 HD13 ' A' ' 81' ' ' LEU . 7.0 tp -92.35 -47.31 7.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.6 -30.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.43 ' N ' ' C ' ' A' ' 18' ' ' LEU . 5.3 ptm180 -94.78 -41.54 9.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.2 tp -45.72 -59.97 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.0 mt -85.27 -31.88 22.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.08 8.02 63.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.438 ' O ' HD12 ' A' ' 14' ' ' LEU . 9.8 mt -88.05 102.41 12.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -54.85 -61.21 2.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.579 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 m -157.71 113.35 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.374 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.529 ' HG2' HG11 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -133.93 -175.56 3.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 10' ' ' PRO . 17.8 p -75.11 -177.45 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.429 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.595 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 13.9 ttp85 -78.04 -45.9 2.26 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.98 -5.64 17.05 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.584 HG23 ' OG1' ' A' ' 28' ' ' THR . 39.7 t -98.57 -32.81 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.007 HD13 HD21 ' A' ' 14' ' ' LEU . 67.8 mt -83.38 -54.18 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.552 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.5 tt -40.77 -41.32 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 37' ' ' TRP . 2.6 mm-40 -67.91 -60.84 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.29 -29.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.507 HD21 ' CG2' ' A' ' 74' ' ' ILE . 6.0 tp -81.26 -50.53 9.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.552 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 78.8 m95 -53.51 -43.82 68.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 107.995 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -62.35 -12.64 22.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.628 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.7 t80 -86.95 -47.77 8.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.516 ' CD1' HG21 ' A' ' 54' ' ' VAL . 29.1 mt -69.01 -21.37 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -84.62 -47.47 10.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -74.04 -44.36 54.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.628 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.8 m-70 -80.98 1.05 32.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.59 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.67 58.82 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.755 HD13 HD12 ' A' ' 60' ' ' LEU . 90.0 mt -86.51 3.02 45.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.2 tt0 -51.42 127.17 19.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.472 ' OD1' ' CG ' ' A' ' 49' ' ' HIS . 61.6 t0 -59.92 125.43 80.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.436 ' HD2' ' OD1' ' A' ' 47' ' ' ASP . 18.4 Cg_endo -74.99 -7.03 18.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.038 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.514 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -91.57 -49.66 6.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.574 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.2 mm-40 -123.76 168.3 12.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.448 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -102.54 -10.73 19.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.608 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -99.17 -21.79 15.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.608 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 66.0 m-85 -93.24 166.98 12.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.61 ' CG1' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -147.88 123.86 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.443 HD21 ' HG3' ' A' ' 68' ' ' ARG . 5.6 mt -79.49 114.21 18.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 18.5 m -64.12 135.93 56.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 108.283 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.56 177.34 2.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.53 ' HE2' ' CZ ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -52.63 -35.05 53.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.097 . . . . 0.0 109.348 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.53 ' CZ ' ' HE2' ' A' ' 58' ' ' LYS . 30.7 m-85 -76.89 -49.94 14.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.755 HD12 HD13 ' A' ' 45' ' ' LEU . 94.5 mt -61.26 -35.91 78.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -64.1 -20.7 66.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -99.21 -13.02 19.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.455 HG23 HD22 ' A' ' 81' ' ' LEU . 20.8 mt -101.53 -57.93 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.557 ' CE2' HD22 ' A' ' 60' ' ' LEU . 38.2 m-85 -78.05 -37.9 45.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 70.28 30.74 3.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.05 96.68 4.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -44.36 -46.54 9.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.538 ' CZ ' ' CE2' ' A' ' 53' ' ' PHE . 7.2 ttp180 -143.26 123.28 13.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.485 ' CE ' HD13 ' A' ' 74' ' ' ILE . 1.8 ptm -138.09 160.69 38.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.581 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -77.94 141.27 39.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.589 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 2.5 m-85 -52.26 -29.8 24.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.403 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 9.3 t -76.68 -11.21 59.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -95.96 1.05 52.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.0 mm -74.26 -45.48 6.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -75.01 -11.61 21.46 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.444 1.76 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -92.69 -15.28 26.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.425 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -104.42 -15.6 15.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.32 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.532 HD23 HD12 ' A' ' 81' ' ' LEU . 8.5 mt -67.72 -40.97 84.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -41.6 -35.27 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.561 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.24 -50.84 28.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.543 HD13 HD22 ' A' ' 18' ' ' LEU . 19.5 mt -64.84 -21.41 66.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.6 mt -92.73 122.58 35.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 71.1 mtm -120.59 160.2 45.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 116.23 4.53 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.791 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 54.88 3.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -100.98 156.3 35.29 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.6 m 58.53 75.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.049 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -82.47 136.23 15.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 63.39 5.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.6 p -44.65 -57.42 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 m -83.25 158.76 22.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.964 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 m -146.16 116.54 7.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.65 163.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.89 75.67 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -68.34 142.2 55.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.016 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 p -169.35 112.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.038 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.99 -82.73 0.23 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -115.28 113.39 43.46 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.464 0.744 . . . . 0.0 110.281 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.07 39.33 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.7 ' O ' HG22 ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.11 137.22 21.19 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -138.8 107.69 5.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -95.51 154.6 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -88.31 130.23 35.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.912 HD21 HD13 ' A' ' 32' ' ' ILE . 5.7 mt -79.5 147.23 32.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -58.29 167.7 1.56 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -17.46 19.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.453 1.765 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mtm-85 -97.12 -26.66 14.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.531 HD22 HD13 ' A' ' 81' ' ' LEU . 6.8 tp -92.14 -46.56 7.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.86 -31.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 18' ' ' LEU . 2.1 mtp-105 -94.36 -46.29 7.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.7 tp -40.64 -59.99 1.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.6 mt -83.74 -39.79 19.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.7 9.61 45.92 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.586 1.178 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.58 ' O ' HD12 ' A' ' 14' ' ' LEU . 4.5 mt -92.26 107.97 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 0.764 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -59.43 -64.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 m -152.07 115.61 4.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 110.402 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.701 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -137.4 -171.52 2.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.7 HG22 ' O ' ' A' ' 10' ' ' PRO . 74.3 p -81.72 -168.76 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.435 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.625 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 8.5 ttp-105 -83.28 -43.99 0.84 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.03 -7.92 19.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.527 1.804 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.701 HG11 ' CG ' ' A' ' 27' ' ' GLN . 34.5 t -100.85 -27.01 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.912 HD13 HD21 ' A' ' 14' ' ' LEU . 89.9 mt -88.6 -42.83 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.473 ' HB ' ' O ' ' A' ' 29' ' ' ARG . 1.7 tt -56.31 -42.09 72.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' TRP . 30.0 mm-40 -64.13 -63.4 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.241 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.43 -29.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.542 HD21 ' CG2' ' A' ' 74' ' ' ILE . 6.0 tp -80.34 -51.09 9.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.471 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 78.6 m95 -53.09 -44.99 68.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 107.974 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -60.08 -14.23 15.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.56 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.2 t80 -86.45 -47.35 9.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 111.038 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.587 HG21 ' HE1' ' A' ' 71' ' ' PHE . 62.5 mt -69.38 -22.85 25.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.8 -47.72 11.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.0 m -73.59 -43.5 59.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.418 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.56 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.2 m-70 -82.84 1.34 39.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.596 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' HIS . 1.5 mmpt? 39.51 59.94 1.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.74 HD13 HD12 ' A' ' 60' ' ' LEU . 83.9 mt -84.3 0.83 47.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.1 tt0 -52.11 126.73 19.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 50' ' ' GLU . 28.3 t70 -58.91 129.12 85.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -17.35 19.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.512 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -79.3 -54.99 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.644 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.8 mm-40 -108.3 -174.13 2.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 6.3 mmt180 -120.52 -6.67 9.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.584 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 7.0 pm0 -111.76 -10.52 14.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.584 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 38.0 m-85 -95.37 165.4 12.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.843 HG11 HD11 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -143.76 117.69 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.515 HD21 ' HG3' ' A' ' 68' ' ' ARG . 14.2 mt -77.82 102.15 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 32.7 m -52.64 137.51 30.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 108.315 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -179.13 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.559 ' HE3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -56.55 -32.63 65.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.559 ' CE1' ' HE3' ' A' ' 58' ' ' LYS . 12.7 m-30 -74.28 -55.32 6.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.74 HD12 HD13 ' A' ' 45' ' ' LEU . 88.8 mt -60.81 -38.16 84.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -57.07 -20.81 27.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.26 -13.96 19.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.43 HG23 HD22 ' A' ' 81' ' ' LEU . 12.2 mt -101.71 -64.38 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.551 ' CE1' HD22 ' A' ' 60' ' ' LEU . 30.3 m-85 -71.46 -35.66 70.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 66.86 30.17 7.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.02 95.07 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.042 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 68' ' ' ARG . 17.8 pt20 -43.84 -47.09 8.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.515 ' HG3' HD21 ' A' ' 55' ' ' LEU . 6.8 ttp180 -143.65 122.76 12.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.254 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.564 ' HE3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -137.96 168.15 20.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -87.67 143.91 26.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.587 ' HE1' HG21 ' A' ' 40' ' ' ILE . 4.2 m-85 -53.27 -24.57 11.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.8 m -80.38 -11.35 59.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.034 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -96.48 1.64 51.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.843 HD11 HG11 ' A' ' 54' ' ' VAL . 2.1 mm -74.8 -45.05 5.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.01 -12.86 21.5 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.487 1.783 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -93.43 -14.53 26.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.535 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -104.05 -12.88 16.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.533 HD23 HD12 ' A' ' 81' ' ' LEU . 8.8 mt -70.8 -41.93 70.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -40.83 -36.88 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.619 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.15 -49.23 52.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.533 HD12 HD23 ' A' ' 78' ' ' LEU . 14.7 mt -66.71 -17.42 64.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 78' ' ' LEU . 63.5 mt -95.81 121.44 37.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 75.6 mtm -119.55 159.21 46.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.42 3.79 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.533 1.807 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -166.58 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.799 . . . . 0.0 111.053 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -62.82 158.65 51.02 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -35.66 3.06 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.521 1.801 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 t -166.48 121.88 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 110.076 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -139.88 -157.91 7.42 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 178.35 7.39 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.54 1.81 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.55 138.86 50.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.079 . . . . 0.0 109.999 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.3 t -138.54 150.45 46.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.5 m -138.96 103.99 4.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 110.017 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t 62.37 99.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.965 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.92 -99.88 0.31 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 m -111.96 169.11 9.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.737 . . . . 0.0 109.958 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.42 172.46 9.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.025 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.97 132.55 7.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.441 1.088 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 40.17 81.85 0.24 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 110.316 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 172.19 16.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.764 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.509 ' O ' HG22 ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.04 161.47 38.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.556 1.819 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.406 ' O ' ' CG ' ' A' ' 85' ' ' PRO . 13.5 mt-30 -159.31 108.74 1.89 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.419 ' CE2' ' NH2' ' A' ' 29' ' ' ARG . 53.1 m-85 -99.7 146.89 26.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -80.71 131.06 35.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.598 HD12 ' O ' ' A' ' 24' ' ' ILE . 5.2 mt -83.78 143.96 29.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -55.27 166.08 0.96 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -16.7 20.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -97.29 -26.83 14.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.45 HD22 HD13 ' A' ' 81' ' ' LEU . 7.2 tp -92.41 -45.56 8.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -45.32 -29.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.13 -29.66 15.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' LEU . 11.7 tp -60.12 -61.17 2.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.7 mt -83.21 -33.02 26.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.21 16.26 53.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.598 ' O ' HD12 ' A' ' 14' ' ' LEU . 5.5 mt -97.46 100.76 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -50.99 -64.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.566 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.5 m -155.0 115.17 3.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.436 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.727 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -133.06 -168.76 2.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.684 ' O ' HD12 ' A' ' 32' ' ' ILE . 17.7 p -84.36 -177.89 6.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.577 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -76.22 -46.58 3.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 110.288 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -74.96 -5.6 17.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.727 HG11 ' CG ' ' A' ' 27' ' ' GLN . 40.5 t -99.22 -29.17 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.684 HD12 ' O ' ' A' ' 28' ' ' THR . 22.8 mt -87.64 -54.79 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.603 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.1 tt -41.85 -45.11 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' ALA . 15.6 mm-40 -65.24 -61.25 2.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.63 -42.61 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.241 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.533 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.7 tp -67.91 -50.6 55.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.603 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 62.0 m95 -52.53 -42.02 63.99 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -62.62 -12.08 20.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.57 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 6.0 t80 -87.39 -47.48 8.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.468 HG21 ' HE1' ' A' ' 71' ' ' PHE . 26.2 mt -70.3 -20.85 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -84.5 -46.05 12.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 m -75.97 -44.03 41.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.358 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.57 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.0 m-70 -81.69 2.09 31.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.62 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 43' ' ' HIS . 1.4 mtpt 38.8 58.61 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.757 HD13 HD12 ' A' ' 60' ' ' LEU . 90.0 mt -85.74 4.2 37.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.57 133.23 30.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 50' ' ' GLU . 22.9 t70 -66.44 126.98 93.06 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -15.07 21.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.477 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.6 OUTLIER -81.29 -56.08 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.609 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.462 ' O ' ' O ' ' A' ' 47' ' ' ASP . 3.1 mm-40 -111.75 -175.62 2.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -116.16 -19.69 10.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.595 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 9.9 pm0 -96.06 -16.14 21.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.595 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 56.2 m-85 -93.85 166.96 11.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.603 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -148.36 127.77 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 4.1 mt -83.3 115.63 22.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.452 ' HB3' ' CB ' ' A' ' 60' ' ' LEU . 11.1 m -70.99 127.0 31.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.279 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.475 ' OD2' HD21 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -62.49 -178.82 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -49.77 -57.37 7.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.534 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 3.9 m-30 -51.69 -58.18 7.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.757 HD12 HD13 ' A' ' 45' ' ' LEU . 95.9 mt -54.96 -44.14 74.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -57.24 -18.58 16.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -99.42 -13.72 19.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.401 ' CD1' HD22 ' A' ' 21' ' ' LEU . 65.7 mt -102.22 -60.1 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.536 ' CE2' HD22 ' A' ' 60' ' ' LEU . 37.0 m-85 -76.93 -36.42 56.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 67.92 30.02 6.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.81 95.91 4.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.977 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.52 -44.84 26.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.467 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 15.4 ttt180 -139.88 122.33 16.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -139.44 166.12 25.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.574 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -86.93 142.63 27.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.603 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 2.1 m-85 -52.55 -29.01 23.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.412 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 0.3 OUTLIER -78.75 -11.54 59.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.946 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -95.42 -1.13 51.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 2.3 mm -72.11 -45.85 11.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.99 -12.2 21.52 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.521 1.8 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -85.54 -19.36 31.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.341 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -102.67 -21.12 14.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 82' ' ' LEU . 7.3 mt -60.18 -43.28 95.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -43.15 -34.72 1.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.564 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.08 -45.22 58.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.461 HD12 HD23 ' A' ' 78' ' ' LEU . 11.0 mt -72.36 -14.01 61.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 78' ' ' LEU . 49.6 mt -101.08 112.65 25.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 75.5 mtm -113.37 160.13 32.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 113.98 3.92 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.406 ' CG ' ' O ' ' A' ' 11' ' ' GLN . 18.3 Cg_endo -74.96 54.87 3.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -130.55 155.86 80.52 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.245 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.509 1.794 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.8 m 53.96 84.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -118.94 145.72 18.25 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 120.28 6.0 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.537 1.809 . . . . 0.0 111.0 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 t -95.87 155.94 16.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.8 t -99.39 92.34 5.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 110.936 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.8 p -62.3 160.18 13.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -155.85 98.43 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.035 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.19 -179.49 30.21 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.3 t 179.27 160.86 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.985 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.83 -54.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.42 -115.29 1.42 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.89 119.52 38.39 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.747 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 159.18 41.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.779 ' O ' HG22 ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.01 166.13 29.84 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 27' ' ' GLN . 12.2 mt-30 -162.59 116.59 1.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.467 ' HB2' HD22 ' A' ' 82' ' ' LEU . 55.0 m-85 -105.1 147.38 27.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 ttpp -79.47 131.5 36.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.469 HD12 ' O ' ' A' ' 24' ' ' ILE . 4.6 mt -84.51 142.87 29.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -53.79 166.67 0.58 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -15.39 20.74 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 110.972 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.9 mtm-85 -97.1 -28.55 14.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.564 HD22 HD13 ' A' ' 81' ' ' LEU . 8.1 tp -91.73 -47.57 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.97 -30.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.446 ' N ' ' C ' ' A' ' 18' ' ' LEU . 9.6 mtp180 -94.18 -48.07 6.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.349 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.7 tp -41.2 -61.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.9 mt -82.31 -34.04 28.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.27 6.54 62.85 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.463 1.102 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.469 ' O ' HD12 ' A' ' 14' ' ' LEU . 5.0 mt -87.07 107.4 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -59.5 -61.29 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.611 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.8 m -157.14 111.08 2.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.402 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.645 ' CG ' HG11 ' A' ' 31' ' ' VAL . 1.2 mp0 -127.47 -170.9 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.779 HG22 ' O ' ' A' ' 10' ' ' PRO . 81.9 p -82.91 -169.1 2.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.623 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 17.6 ttp180 -83.37 -44.11 0.83 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.99 -6.26 17.84 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.645 HG11 ' CG ' ' A' ' 27' ' ' GLN . 20.5 t -100.58 -33.87 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.615 HD12 ' O ' ' A' ' 28' ' ' THR . 58.3 mt -79.16 -43.93 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.227 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.601 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.2 tt -55.17 -41.51 60.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' TRP . 63.6 mm-40 -69.81 -62.87 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.43 -30.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.701 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.4 tp -80.63 -51.69 8.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 57.3 m95 -51.95 -45.84 64.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 108.021 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -58.06 -16.1 11.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.639 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.1 t80 -84.43 -46.8 11.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.432 ' CD1' HG21 ' A' ' 54' ' ' VAL . 65.4 mt -66.91 -24.11 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 0.0 109.354 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -84.5 -50.41 7.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.8 m -68.66 -39.7 80.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.639 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.2 m-70 -88.84 -2.22 58.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.616 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.8 mttt 43.68 58.69 3.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.653 HD13 HD12 ' A' ' 60' ' ' LEU . 53.3 mt -82.39 1.99 34.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.46 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.1 tt0 -51.49 128.14 22.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' A' ' 50' ' ' GLU . 33.4 t70 -63.06 130.23 93.99 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.73 20.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.548 1.815 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.516 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -83.44 -57.22 3.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.6 mm-40 -111.22 167.34 10.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.46 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 1.3 mmt-85 -104.82 -5.56 21.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.59 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 10.3 pm0 -104.99 -22.78 13.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.59 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 61.0 m-85 -90.48 167.8 12.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.649 ' CG1' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -146.45 120.49 2.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.464 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 6.9 mt -78.1 116.7 18.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.0 m -69.21 138.14 53.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 108.282 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -72.89 166.99 21.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.507 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -41.21 -41.65 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.507 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 12.3 m-85 -65.48 -63.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.653 HD12 HD13 ' A' ' 45' ' ' LEU . 83.8 mt -53.0 -40.19 63.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -57.86 -19.95 32.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -98.96 -12.8 20.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.7 mt -101.75 -63.02 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 77' ' ' ARG . 27.2 m-85 -73.22 -36.59 66.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 69.88 30.07 3.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.348 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.31 91.97 3.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.2 -45.22 16.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.464 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 17.7 ttt180 -138.85 122.06 16.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.464 ' HE2' HD13 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -139.13 166.41 24.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 111.036 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -88.18 143.83 26.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 2.6 m-85 -52.68 -25.92 12.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.417 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 48.1 t -82.74 -11.56 58.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -95.86 1.49 53.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.701 ' CG2' HD21 ' A' ' 36' ' ' LEU . 2.5 mm -76.42 -45.64 3.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.94 -12.07 21.62 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.472 1.775 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -92.05 -16.55 26.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.344 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.452 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -101.71 -16.32 16.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 82' ' ' LEU . 8.5 mt -65.58 -42.28 91.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -39.96 -37.54 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.572 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.94 -51.72 36.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.564 HD13 HD22 ' A' ' 18' ' ' LEU . 11.9 mt -65.85 -18.91 65.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.602 HD21 HG21 ' A' ' 32' ' ' ILE . 89.0 mt -95.29 119.8 34.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 73.7 mtm -118.92 159.91 42.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 116.12 4.49 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.416 1.746 . . . . 0.0 111.042 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.92 3.79 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.22 155.21 3.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.6 m 50.29 77.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -47.79 158.11 0.72 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -46.27 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.526 1.803 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.99 160.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 79.2 p 47.9 93.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 110.006 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t 53.52 92.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.782 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 p -152.58 151.71 30.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.97 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.16 72.48 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -128.4 -60.29 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.985 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -51.3 146.32 7.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.89 162.98 15.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 43.57 91.68 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.492 0.76 . . . . 0.0 110.322 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 160.79 39.69 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.519 1.799 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.408 ' O ' ' HA ' ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.0 104.58 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.789 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.448 ' HG3' HG22 ' A' ' 28' ' ' THR . 5.0 mp0 -113.12 127.57 56.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.342 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -111.74 156.26 22.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -90.68 130.92 36.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.992 HD21 HD13 ' A' ' 32' ' ' ILE . 5.2 mt -81.89 146.76 29.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -58.83 167.55 1.85 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -16.39 20.21 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 110.974 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.465 ' HB3' HD11 ' A' ' 63' ' ' ILE . 21.1 mtm180 -97.1 -27.28 14.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.489 HD22 HD13 ' A' ' 81' ' ' LEU . 6.4 tp -92.34 -47.67 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -40.38 -30.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.443 ' N ' ' C ' ' A' ' 18' ' ' LEU . 1.7 ptm180 -95.13 -39.81 9.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.443 ' HA ' HD12 ' A' ' 21' ' ' LEU . 10.9 tp -48.12 -60.86 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.5 mt -83.55 -34.72 25.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.83 15.5 52.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.522 ' O ' HD12 ' A' ' 14' ' ' LEU . 12.3 mt -96.17 99.66 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.761 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -49.95 -66.51 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.625 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.421 ' O ' ' CD ' ' A' ' 27' ' ' GLN . 2.7 m -151.72 121.07 6.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.729 ' CG ' HG11 ' A' ' 31' ' ' VAL . 1.5 mp0 -142.55 -167.59 2.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.501 ' O ' HD12 ' A' ' 32' ' ' ILE . 46.6 p -85.35 -166.78 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.36 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.585 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 12.4 ttp85 -83.66 -46.42 0.78 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.99 -6.81 18.53 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.439 1.757 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.729 HG11 ' CG ' ' A' ' 27' ' ' GLN . 44.2 t -101.04 -22.51 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.992 HD13 HD21 ' A' ' 14' ' ' LEU . 86.7 mt -97.36 -40.47 10.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.466 ' HB ' ' O ' ' A' ' 29' ' ' ARG . 3.1 tt -58.73 -40.58 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -65.65 -58.95 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.39 -27.31 0.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.506 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.4 tp -82.51 -47.43 12.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.441 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 60.9 m95 -55.06 -43.38 73.78 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.02 -14.6 49.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.738 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 6.5 t80 -84.06 -45.5 12.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.605 ' CD1' HG21 ' A' ' 54' ' ' VAL . 52.9 mt -67.13 -24.87 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -84.13 -49.07 9.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.6 m -69.62 -37.3 76.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.376 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.738 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 5.4 m170 -92.22 1.07 57.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 43' ' ' HIS . 8.2 mttt 39.62 59.53 1.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.7 HD13 HD12 ' A' ' 60' ' ' LEU . 80.1 mt -84.97 1.25 48.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.464 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.2 tt0 -51.65 129.72 26.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 50' ' ' GLU . 26.7 t70 -64.45 128.18 93.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -11.45 21.6 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.493 1.786 . . . . 0.0 111.047 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.699 ' CE1' HD11 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -83.27 -51.37 7.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.561 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.462 ' O ' ' O ' ' A' ' 47' ' ' ASP . 3.1 mm-40 -116.76 -174.23 2.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.464 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.27 -15.59 9.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.311 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.618 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 6.5 pm0 -98.79 -22.56 15.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.618 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 54.5 m-85 -87.0 166.33 15.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.605 HG21 ' CD1' ' A' ' 40' ' ' ILE . 0.2 OUTLIER -147.83 121.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.699 HD11 ' CE1' ' A' ' 49' ' ' HIS . 2.6 mt -81.8 115.47 21.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.2 m -65.46 139.0 58.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 108.272 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.71 -177.55 1.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.456 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 1.6 ptpt -57.19 -39.47 75.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.456 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 14.1 m-85 -68.31 -53.18 26.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.7 HD12 HD13 ' A' ' 45' ' ' LEU . 95.8 mt -61.33 -41.9 97.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -55.32 -18.77 7.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -99.03 -15.29 19.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.52 HG23 HD22 ' A' ' 81' ' ' LEU . 8.9 mt -101.59 -59.64 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.557 ' CE2' HD22 ' A' ' 60' ' ' LEU . 38.4 m-85 -76.35 -39.47 53.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 68.91 30.17 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.12 94.13 4.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -45.34 -44.85 12.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 13.0 ttt180 -143.99 123.57 13.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.501 ' HE2' HD13 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -139.31 166.25 25.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.944 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.591 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -86.97 142.72 27.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.615 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 3.2 m-85 -53.78 -20.23 5.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.1 -11.69 56.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -97.53 0.84 48.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.629 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 3.1 mm -74.65 -44.94 5.46 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.0 -13.76 21.32 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -93.45 -16.61 24.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.86 -18.61 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 82' ' ' LEU . 7.2 mt -64.64 -39.59 93.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -43.39 -38.07 2.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.594 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.22 -47.91 72.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.52 HD22 HG23 ' A' ' 63' ' ' ILE . 13.6 mt -70.41 -20.27 62.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 78' ' ' LEU . 81.7 mt -92.39 120.01 32.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 30.9 mtm -117.38 158.24 45.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 115.67 4.36 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 54.94 3.83 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -124.03 154.48 68.01 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' A' ' 88' ' ' SER . 18.3 Cg_endo -74.96 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.764 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 87' ' ' PRO . 0.3 OUTLIER 83.72 -49.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.015 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -57.86 170.2 4.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 84.22 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.498 1.789 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 t -115.88 145.23 43.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.977 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.4 t -119.32 -57.32 2.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.972 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 p -64.85 137.05 57.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.78 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -68.69 -46.33 69.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.37 71.5 0.51 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 p -65.29 145.11 56.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -176.02 131.08 0.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.095 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.95 -130.36 47.61 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -83.32 152.91 65.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 169.15 23.26 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.767 ' O ' HG22 ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.97 171.48 18.24 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.517 1.798 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -164.64 127.35 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -115.13 145.79 42.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 tmmt? -79.74 126.56 31.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.853 HD21 HD13 ' A' ' 32' ' ' ILE . 4.3 mt -79.03 143.74 35.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -55.75 167.14 0.86 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -15.35 20.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.542 1.812 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -97.5 -27.98 14.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.57 HD22 HD13 ' A' ' 81' ' ' LEU . 6.8 tp -92.11 -47.71 7.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.94 -30.74 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.438 ' N ' ' C ' ' A' ' 18' ' ' LEU . 3.9 ptm180 -95.13 -40.99 9.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.513 HD23 HD12 ' A' ' 18' ' ' LEU . 12.8 tp -45.07 -60.15 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.3 mt -84.72 -35.85 22.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.19 -0.42 57.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.509 ' O ' HD12 ' A' ' 14' ' ' LEU . 4.6 mt -82.2 109.88 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -61.29 -64.38 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.567 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -152.28 114.13 4.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.399 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.717 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -132.99 -169.61 2.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.767 HG22 ' O ' ' A' ' 10' ' ' PRO . 76.7 p -83.59 -168.25 2.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.604 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 6.1 ttp-105 -84.07 -45.2 0.76 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -75.04 -5.78 17.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.534 1.807 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.717 HG11 ' CG ' ' A' ' 27' ' ' GLN . 31.2 t -100.84 -30.75 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.853 HD13 HD21 ' A' ' 14' ' ' LEU . 86.1 mt -85.37 -51.06 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.486 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.4 tt -46.04 -45.04 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 37' ' ' TRP . 4.8 mm-40 -64.66 -60.64 2.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.09 -29.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.581 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 6.0 tp -80.92 -51.16 8.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.486 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 86.8 m95 -52.41 -46.23 66.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 108.028 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -59.64 -14.75 15.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.263 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.589 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.1 t80 -86.41 -48.53 8.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.676 HG23 ' HB2' ' A' ' 45' ' ' LEU . 44.7 mt -66.51 -22.3 29.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -85.29 -50.82 7.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.234 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.0 m -69.63 -39.8 76.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.433 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.589 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 5.9 m-70 -88.61 4.66 46.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' HIS . 9.6 mmtt 40.18 59.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.244 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.717 HD13 HD12 ' A' ' 60' ' ' LEU . 81.1 mt -81.9 -4.12 55.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.9 OUTLIER -51.91 126.3 17.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.278 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 50' ' ' GLU . 32.7 t70 -59.67 130.8 88.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.27 21.48 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.519 1.799 . . . . 0.0 111.032 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.563 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -85.13 -54.68 4.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.58 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.457 ' O ' ' O ' ' A' ' 47' ' ' ASP . 5.8 mm-40 -110.56 -175.7 2.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.458 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.1 -13.82 9.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.614 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 1.3 pm0 -100.99 -19.67 15.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.614 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 55.2 m-85 -89.61 166.25 13.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.783 HG11 HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -145.9 122.68 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.493 HD21 ' HG3' ' A' ' 68' ' ' ARG . 6.3 mt -81.71 111.63 18.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 33.7 m -64.62 134.06 53.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 108.333 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.36 -179.49 2.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -51.8 -45.9 64.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.526 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 4.3 m-30 -62.41 -61.4 2.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.717 HD12 HD13 ' A' ' 45' ' ' LEU . 98.4 mt -52.23 -41.88 63.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -57.3 -19.19 20.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -99.29 -14.28 19.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.426 HG23 ' CD2' ' A' ' 81' ' ' LEU . 13.1 mt -101.67 -60.06 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.552 ' CE2' HD22 ' A' ' 60' ' ' LEU . 40.9 m-85 -77.62 -40.87 40.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 70.81 30.24 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.243 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.23 94.65 4.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -41.83 -47.24 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.493 ' HG3' HD21 ' A' ' 55' ' ' LEU . 8.1 ttp180 -147.33 124.18 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.444 ' HE3' HD13 ' A' ' 74' ' ' ILE . 0.8 OUTLIER -138.15 163.33 31.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.573 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -82.07 142.57 32.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.622 ' HE1' HG21 ' A' ' 40' ' ' ILE . 3.9 m-85 -52.43 -28.57 20.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 38.8 t -76.41 -12.56 60.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -96.07 3.56 53.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.783 HD11 HG11 ' A' ' 54' ' ' VAL . 2.3 mm -74.92 -45.99 4.97 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.02 -10.86 21.36 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.553 1.817 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -91.05 -18.67 24.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -101.56 -23.43 14.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' LEU . 7.3 mt -59.11 -37.71 77.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -46.55 -28.26 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.614 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.81 -45.49 28.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.57 HD13 HD22 ' A' ' 18' ' ' LEU . 11.8 mt -75.08 -10.54 59.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.447 HD21 HG21 ' A' ' 32' ' ' ILE . 83.7 mt -103.69 117.27 33.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 28.7 mtm -118.35 158.54 46.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 114.31 4.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.498 1.788 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 171.69 17.83 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.53 1.805 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -102.75 158.84 30.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -30.53 7.05 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.51 87.49 2.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.039 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -149.8 124.06 1.7 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 110.962 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 102.08 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.461 1.769 . . . . 0.0 111.021 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 t -74.0 89.43 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.8 t 45.77 84.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.046 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.445 1.091 . . . . 0.0 110.972 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.1 t -117.86 160.05 22.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 109.97 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.9 p -122.75 156.71 33.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.5 138.27 3.59 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.52 1.138 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -145.41 168.61 20.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.973 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -119.49 154.62 33.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.96 -116.77 9.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -44.28 153.19 0.45 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 161.72 38.33 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 171.57 18.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 27' ' ' GLN . 9.2 mt-30 -166.69 113.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -104.58 146.38 28.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 ttpp -80.74 129.54 34.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.859 HD21 HD13 ' A' ' 32' ' ' ILE . 4.5 mt -83.42 143.5 30.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -53.01 167.37 0.41 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -17.55 19.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.772 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -96.67 -26.74 15.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.587 HD22 HD13 ' A' ' 81' ' ' LEU . 7.2 tp -92.14 -47.69 7.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.91 -30.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.358 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.442 ' N ' ' C ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -95.08 -46.31 6.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 21' ' ' LEU . 14.5 tp -40.48 -58.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.5 mt -86.59 -35.14 19.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.83 12.98 54.87 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.425 ' O ' HD12 ' A' ' 14' ' ' LEU . 10.7 mt -93.39 104.78 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 0.777 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -58.84 -60.14 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.583 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.2 m -156.99 112.32 2.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 110.432 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.654 ' HG2' HG11 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -132.18 -170.16 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.572 ' OG1' HG23 ' A' ' 31' ' ' VAL . 34.2 p -82.24 -176.06 5.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.455 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.609 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 3.6 ttt-85 -78.92 -44.8 1.81 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.04 -6.21 17.74 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.466 1.772 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.654 HG11 ' HG2' ' A' ' 27' ' ' GLN . 42.3 t -99.13 -33.1 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.859 HD13 HD21 ' A' ' 14' ' ' LEU . 68.3 mt -82.32 -55.43 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.569 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.1 tt -41.01 -44.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 37' ' ' TRP . 14.2 mt-30 -67.35 -59.53 3.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.75 -30.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.527 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.9 tp -81.76 -51.54 8.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.569 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 85.5 m95 -51.91 -45.14 64.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 108.008 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -59.29 -14.76 12.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.584 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.4 t80 -86.18 -47.54 9.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.724 HG23 ' HB2' ' A' ' 45' ' ' LEU . 41.9 mt -67.42 -24.1 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -82.78 -50.75 8.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.4 m -69.66 -43.55 72.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.584 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 5.7 m-70 -84.75 3.98 34.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.604 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.2 mttt 41.03 58.35 2.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.724 ' HB2' HG23 ' A' ' 40' ' ' ILE . 91.2 mt -79.44 -3.33 46.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.474 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.9 OUTLIER -51.32 123.42 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.531 ' OD1' HD21 ' A' ' 55' ' ' LEU . 36.2 t70 -59.58 132.22 88.54 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -14.51 21.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.451 1.763 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.568 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -84.43 -57.08 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.587 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.458 ' O ' ' O ' ' A' ' 47' ' ' ASP . 6.7 mm-40 -113.38 173.24 6.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.474 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -107.06 -13.78 15.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.597 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 4.8 pm0 -97.14 -20.76 17.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.346 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.597 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 58.0 m-85 -91.04 167.52 12.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.658 ' CG1' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -148.02 122.25 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.531 HD21 ' OD1' ' A' ' 47' ' ' ASP . 6.0 mt -78.54 108.45 11.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 20.8 m -62.49 128.88 38.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 108.291 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -178.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -54.74 -47.12 74.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.529 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 4.1 m-30 -61.02 -56.39 21.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.62 HD12 HD13 ' A' ' 45' ' ' LEU . 90.7 mt -56.2 -42.72 77.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -56.11 -17.88 8.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -99.01 -15.08 19.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.419 HG23 ' CD2' ' A' ' 81' ' ' LEU . 13.3 mt -101.67 -58.5 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.54 ' CE2' HD22 ' A' ' 60' ' ' LEU . 38.7 m-85 -78.07 -40.38 38.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 69.46 30.78 3.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.04 94.82 4.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -42.01 -47.64 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.264 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.547 ' NE ' ' CD2' ' A' ' 53' ' ' PHE . 6.0 ttp180 -142.51 123.13 14.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.46 ' HE2' HD13 ' A' ' 74' ' ' ILE . 2.0 ptm -138.15 162.05 35.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -80.18 140.46 36.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.661 ' HE1' HG21 ' A' ' 40' ' ' ILE . 2.3 m-85 -51.62 -32.2 28.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 t -73.64 -12.29 60.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -95.85 3.49 53.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.422 1.076 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.658 HD11 ' CG1' ' A' ' 54' ' ' VAL . 2.1 mm -75.19 -45.95 4.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.0 -11.47 21.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.46 1.768 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -88.62 -17.26 30.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.438 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -104.8 -16.88 14.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.595 HD23 HD12 ' A' ' 81' ' ' LEU . 8.9 mt -66.0 -42.78 89.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 75' ' ' PRO . 98.4 m-70 -42.56 -34.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.6 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.89 -47.01 55.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.595 HD12 HD23 ' A' ' 78' ' ' LEU . 16.3 mt -70.74 -17.58 62.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.458 HD21 HG21 ' A' ' 32' ' ' ILE . 61.5 mt -97.36 110.21 22.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 50.2 mtm -110.19 159.04 33.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 113.55 3.82 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 55.53 3.96 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.445 ' C ' ' H ' ' A' ' 88' ' ' SER . 0.3 OUTLIER -127.59 156.11 75.9 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 40.03 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.445 ' H ' ' C ' ' A' ' 86' ' ' GLU . 14.0 t -161.22 108.84 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.035 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -168.44 148.34 12.43 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 176.91 9.3 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.444 1.76 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 t -112.72 103.53 11.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.8 t -117.48 -58.63 2.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -156.81 -61.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 0.785 . . . . 0.0 109.962 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.09 141.9 21.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.4 118.72 5.1 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.1 p -176.84 130.3 0.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 109.968 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m 50.4 86.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.426 1.079 . . . . 0.0 109.971 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.88 -125.49 4.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -55.68 137.02 71.26 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 163.92 34.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 143.28 28.76 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -142.89 109.32 5.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 29' ' ' ARG . 15.9 m-85 -102.04 151.66 21.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -92.15 131.12 37.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.449 HD21 HD13 ' A' ' 32' ' ' ILE . 3.8 mt -81.97 146.14 29.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.6 167.37 1.38 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.232 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.61 20.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.85 -27.76 14.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.66 HD22 HD13 ' A' ' 81' ' ' LEU . 7.3 tp -92.1 -47.45 7.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.31 -31.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.441 ' N ' ' C ' ' A' ' 18' ' ' LEU . 2.7 mpt_? -93.92 -48.81 6.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' ARG . 10.6 tp -39.96 -59.79 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.1 mt -83.6 -32.7 25.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.04 -9.87 63.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.61 HG23 ' CD ' ' A' ' 27' ' ' GLN . 35.7 mt -71.4 135.12 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -90.42 -64.37 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.578 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 m -158.16 136.56 11.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 110.38 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.61 ' CD ' HG23 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -175.15 -166.97 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.258 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.936 ' O ' HD12 ' A' ' 32' ' ' ILE . 14.9 p -64.98 175.01 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.666 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 7.7 ttp-105 -78.62 -41.07 1.78 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.1 -4.62 15.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.604 HG23 ' OG1' ' A' ' 28' ' ' THR . 19.8 t -97.65 -19.18 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.936 HD12 ' O ' ' A' ' 28' ' ' THR . 5.6 mt -101.26 -44.19 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.53 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.4 tt -51.54 -42.11 28.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -63.5 -47.24 82.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.498 ' HB2' HD11 ' A' ' 24' ' ' ILE . . . -55.64 -24.46 33.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.603 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 6.0 tp -85.96 -47.14 9.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.53 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 95.4 m95 -55.49 -42.29 74.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 108.033 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -67.4 -15.1 63.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.735 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 8.0 t80 -85.05 -44.69 12.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.71 HG23 ' HB2' ' A' ' 45' ' ' LEU . 30.9 mt -69.5 -25.25 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.48 -49.8 10.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m -68.74 -43.92 74.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.735 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 5.6 m-70 -82.41 -1.72 50.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.62 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt 47.5 57.08 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.748 HD13 HD12 ' A' ' 60' ' ' LEU . 90.0 mt -81.59 -5.49 58.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.469 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.9 OUTLIER -51.51 125.88 15.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.44 ' O ' ' O ' ' A' ' 50' ' ' GLU . 36.8 t70 -59.57 132.02 88.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -12.99 21.53 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.782 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.566 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -85.58 -54.64 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.585 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 47' ' ' ASP . 2.8 mm-40 -110.76 -174.21 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.469 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -118.13 -18.46 9.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 110.334 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.617 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 6.4 pm0 -95.73 -23.6 16.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.617 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 52.1 m-85 -85.48 165.44 17.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.63 HG11 HD11 ' A' ' 74' ' ' ILE . 0.8 OUTLIER -145.64 124.34 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.443 HD11 ' CE1' ' A' ' 49' ' ' HIS . 6.2 mt -82.98 100.45 10.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 60.4 m -51.83 141.14 17.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 108.325 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.06 174.15 11.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.493 ' HE2' ' CZ ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -48.71 -33.28 9.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.493 ' CZ ' ' HE2' ' A' ' 58' ' ' LYS . 14.3 m-85 -73.73 -62.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.748 HD12 HD13 ' A' ' 45' ' ' LEU . 89.4 mt -54.26 -38.62 66.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -57.58 -19.85 28.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -99.4 -12.81 19.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.43 HG23 ' CD2' ' A' ' 81' ' ' LEU . 19.9 mt -101.92 -58.98 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.535 ' CE1' HD22 ' A' ' 60' ' ' LEU . 31.2 m-85 -77.02 -36.21 56.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 68.59 30.49 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.93 98.29 5.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -48.74 -43.29 37.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.435 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 15.3 ttt180 -144.09 122.07 12.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.507 ' SD ' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -139.97 168.24 20.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.616 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -88.75 142.58 27.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.693 ' HE1' HG21 ' A' ' 40' ' ' ILE . 3.0 m-85 -55.97 -23.92 35.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.62 -13.9 59.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.37 7.33 46.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.63 HD11 HG11 ' A' ' 54' ' ' VAL . 1.4 mm -75.71 -46.23 4.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.97 -11.28 21.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.23 -17.52 23.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -102.98 -23.35 13.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.352 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.496 HD12 HG13 ' A' ' 33' ' ' ILE . 6.7 mt -60.54 -39.66 88.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -41.02 -34.1 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.28 -50.92 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.66 HD13 HD22 ' A' ' 18' ' ' LEU . 17.3 mt -67.84 -15.44 63.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 78' ' ' LEU . 82.9 mt -99.39 113.23 25.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 44.6 mtm -115.87 159.17 40.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 114.55 4.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 55.26 3.89 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -119.21 159.48 45.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.553 1.817 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 46.07 85.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.962 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -113.76 -146.65 9.51 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 89.08 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.448 1.762 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 t -40.79 105.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.7 m -151.41 119.74 6.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.94 158.69 15.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.69 171.32 12.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.37 167.7 23.74 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -169.21 126.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 110.012 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.92 164.42 25.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.41 -101.83 1.73 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.408 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 6.3 pt20 -133.66 64.4 67.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.457 0.739 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 8' ' ' GLN . 18.2 Cg_endo -75.01 173.2 14.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.461 1.769 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.502 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 18.3 Cg_endo -74.97 168.99 23.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.528 1.804 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 10' ' ' PRO . 14.9 mt-30 -165.37 111.98 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.364 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.708 ' CZ ' ' CZ ' ' A' ' 29' ' ' ARG . 52.1 m-85 -101.17 148.71 24.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -77.99 132.98 38.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.01 HD12 ' O ' ' A' ' 24' ' ' ILE . 3.9 mt -85.41 144.74 27.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.524 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -54.63 162.12 1.88 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -16.2 20.19 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.772 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -97.46 -27.62 14.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.662 HD22 HD13 ' A' ' 81' ' ' LEU . 6.8 tp -92.35 -45.81 8.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -38.49 -35.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -90.45 -47.82 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.257 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.5 tp -40.16 -55.02 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.7 mt -87.14 -36.8 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.09 -16.88 38.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.01 ' O ' HD12 ' A' ' 14' ' ' LEU . 85.3 mt -84.77 120.58 35.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.565 0.803 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -89.05 -36.6 15.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.576 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.466 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 9.2 m -146.86 139.14 24.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.38 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.536 ' CG ' HG11 ' A' ' 31' ' ' VAL . 1.5 tp-100 -175.44 -177.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.478 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 74.3 p -76.64 -170.01 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.458 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.826 HH11 HD13 ' A' ' 82' ' ' LEU . 4.3 tpp180 -84.49 -43.51 0.72 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.95 -9.98 21.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.431 1.753 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.536 HG11 ' CG ' ' A' ' 27' ' ' GLN . 77.6 t -101.49 -14.48 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.785 HD13 HD21 ' A' ' 14' ' ' LEU . 42.4 mt -100.34 -36.3 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.551 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.0 OUTLIER -65.7 -43.91 93.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 36' ' ' LEU . 57.7 mm-40 -65.21 -58.54 5.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.87 -30.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.597 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 5.9 tp -81.59 -52.05 7.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.551 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 93.6 m95 -52.28 -45.56 65.52 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -14.3 17.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.503 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 5.4 t80 -86.19 -49.12 7.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.602 HG21 ' HE1' ' A' ' 71' ' ' PHE . 34.2 mt -68.11 -25.43 31.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -51.27 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.3 m -68.82 -44.29 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.408 ' CD2' ' O ' ' A' ' 39' ' ' TYR . 6.1 m-70 -83.05 0.5 44.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 109.609 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 mttt 40.45 59.41 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.761 HD13 HD12 ' A' ' 60' ' ' LEU . 85.3 mt -85.25 2.83 42.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.08 134.32 32.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.262 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' A' ' 50' ' ' GLU . 23.2 t70 -66.86 128.67 93.96 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.73 20.06 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.513 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -78.09 -53.69 7.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.619 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.443 ' O ' ' O ' ' A' ' 47' ' ' ASP . 9.0 mm-40 -111.79 -173.18 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.62 -10.27 10.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.574 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 9.6 pm0 -108.0 -15.64 14.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.574 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 36.5 m-85 -90.28 165.31 13.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.786 HG11 HD11 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -144.81 124.7 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.474 ' CD2' ' HB2' ' A' ' 68' ' ' ARG . 10.4 mt -81.98 105.12 12.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.7 m -58.68 131.3 50.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 108.332 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.1 178.06 2.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.47 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 2.2 ptpt -53.33 -33.16 52.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.47 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 14.7 m-85 -72.44 -56.07 6.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.761 HD12 HD13 ' A' ' 45' ' ' LEU . 90.8 mt -60.64 -35.93 77.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -59.39 -19.85 50.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.098 . . . . 0.0 110.312 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -99.34 -13.63 19.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.528 HG23 HD21 ' A' ' 81' ' ' LEU . 11.8 mt -102.1 -61.98 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.542 ' CE2' HD22 ' A' ' 60' ' ' LEU . 36.8 m-85 -76.38 -36.93 57.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 66.4 31.08 8.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 110.329 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.13 94.07 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -40.37 -48.33 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.474 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . 4.5 ttp180 -147.24 122.75 10.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.467 ' CE ' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.01 167.64 21.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 110.983 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -83.65 142.31 30.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.602 ' HE1' HG21 ' A' ' 40' ' ' ILE . 3.7 m-85 -52.3 -28.54 19.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 t -74.35 -12.98 60.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.973 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -95.56 5.71 50.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.786 HD11 HG11 ' A' ' 54' ' ' VAL . 1.6 mm -76.54 -46.88 3.25 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.1 Cg_endo -74.98 -11.46 21.52 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.496 1.787 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -91.56 -13.88 31.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.506 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -108.23 -11.77 15.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.281 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.727 HD23 HD12 ' A' ' 81' ' ' LEU . 9.8 mt -73.57 -41.64 62.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.416 ' CD2' ' O ' ' A' ' 75' ' ' PRO . 96.8 m-70 -41.19 -36.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.62 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.53 -49.28 42.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.727 HD12 HD23 ' A' ' 78' ' ' LEU . 38.3 mt -65.07 -12.11 47.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.826 HD13 HH11 ' A' ' 29' ' ' ARG . 28.6 mt -101.24 122.89 44.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 61.8 mtm -123.35 160.51 50.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 113.56 3.82 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.01 156.57 87.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.0 t -116.06 105.38 12.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.18 -179.58 23.9 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 170.02 21.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.557 1.819 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.0 m -157.85 149.98 22.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.2 t -105.33 164.98 11.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 t 62.68 136.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 0.781 . . . . 0.0 109.962 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -116.29 -57.38 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.46 -175.23 26.01 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.496 1.122 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.19 -62.6 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 110.039 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m 47.74 92.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.998 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.97 -149.69 15.78 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -42.34 112.12 1.05 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 163.9 34.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 110.984 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 1.004 ' O ' HG22 ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.04 165.43 31.28 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.487 1.783 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.427 ' OE1' HG22 ' A' ' 26' ' ' THR . 11.4 mt-30 -160.51 121.9 3.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.25 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -106.74 151.14 25.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -84.82 126.42 33.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.046 HD21 HD13 ' A' ' 32' ' ' ILE . 4.8 mt -78.91 144.66 34.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -57.47 167.14 1.39 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.16 20.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.798 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -96.89 -27.41 14.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.504 HD22 HD13 ' A' ' 81' ' ' LEU . 7.8 tp -92.46 -47.55 7.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -44.82 -28.74 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.58 -30.12 13.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 18' ' ' LEU . 14.4 tp -58.85 -61.4 2.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.4 mt -81.48 -34.08 31.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.16 17.3 43.76 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.474 ' O ' HD12 ' A' ' 14' ' ' LEU . 8.9 mt -100.26 105.69 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -53.67 -67.04 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.612 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.427 HG22 ' OE1' ' A' ' 11' ' ' GLN . 1.6 m -151.3 121.37 7.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.744 ' CG ' HG11 ' A' ' 31' ' ' VAL . 1.9 mp0 -138.96 -171.31 3.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 1.004 HG22 ' O ' ' A' ' 10' ' ' PRO . 36.2 p -81.44 -167.29 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.576 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 11.0 ttp180 -83.61 -47.22 0.77 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.01 -4.51 15.52 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.744 HG11 ' CG ' ' A' ' 27' ' ' GLN . 47.0 t -100.83 -23.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.046 HD13 HD21 ' A' ' 14' ' ' LEU . 92.4 mt -95.66 -47.75 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.519 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.3 tt -48.94 -45.59 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 37' ' ' TRP . 7.8 mm100 -64.88 -61.18 2.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.52 -31.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.5 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.9 tp -78.55 -50.68 11.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.519 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 84.1 m95 -52.86 -46.33 67.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -58.41 -15.53 11.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.616 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.2 t80 -85.07 -47.62 10.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.537 HG21 ' HE1' ' A' ' 71' ' ' PHE . 47.9 mt -67.34 -24.42 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.24 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.77 -50.41 8.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.4 m -69.51 -43.82 72.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.386 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.616 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.9 m-70 -82.94 -3.38 57.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.61 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.2 mttt 44.69 58.13 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.627 HD13 HD12 ' A' ' 60' ' ' LEU . 33.0 mt -82.23 0.83 39.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -51.4 131.55 28.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 50' ' ' GLU . 31.0 t70 -65.77 129.96 94.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -16.39 20.3 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.537 1.809 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.54 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -81.15 -55.56 4.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.572 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' A' ' 47' ' ' ASP . 3.5 mm-40 -109.04 -174.77 2.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.452 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -119.13 -16.21 9.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.593 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 7.9 pm0 -99.05 -19.81 17.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.593 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 53.0 m-85 -89.22 169.09 11.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.613 ' CG1' HD11 ' A' ' 74' ' ' ILE . 1.3 p -149.41 123.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.472 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 4.1 mt -80.76 114.55 19.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.5 m -63.89 141.72 58.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.52 ' OD1' HD12 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -78.52 173.74 12.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.496 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 4.8 ptpt -45.67 -41.0 9.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.496 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 11.3 m-85 -68.23 -62.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.981 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.627 HD12 HD13 ' A' ' 45' ' ' LEU . 78.4 mt -51.94 -40.34 60.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -58.06 -20.44 39.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.84 -13.16 20.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.1 mt -101.94 -60.82 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.601 ' CE2' HD22 ' A' ' 60' ' ' LEU . 37.7 m-85 -75.08 -36.98 61.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.95 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 68.86 30.34 4.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.89 100.74 6.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -51.27 -43.16 61.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.472 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 11.9 ttt180 -141.65 122.96 14.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.9 ptm -139.37 166.34 24.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -89.41 143.32 26.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.587 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.4 m-85 -52.22 -34.17 44.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.28 -12.27 60.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.026 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -95.37 3.29 54.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.613 HD11 ' CG1' ' A' ' 54' ' ' VAL . 2.1 mm -76.12 -46.15 3.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.03 -11.22 21.42 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -91.8 -16.87 26.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.25 -16.05 15.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 78' ' ' LEU . 7.8 mt -67.01 -36.95 83.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -45.21 -32.5 1.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.585 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.22 -47.22 36.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.504 HD13 HD22 ' A' ' 18' ' ' LEU . 8.9 mt -70.89 -13.38 62.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 78' ' ' LEU . 84.7 mt -101.62 111.24 23.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 78.5 mtm -111.15 159.8 31.42 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 117.66 4.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.535 1.808 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 54.87 3.78 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.446 ' C ' ' H ' ' A' ' 88' ' ' SER . 11.8 mt-10 -130.61 154.94 81.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 40.79 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.457 1.767 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.446 ' H ' ' C ' ' A' ' 86' ' ' GLU . 5.1 t -172.05 120.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.048 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -158.23 -173.45 26.67 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -41.96 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.452 1.764 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 44.79 85.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.998 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.2 m -112.46 137.68 50.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.964 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.3 m -151.18 113.0 4.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.75 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.81 159.55 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.54 -105.21 0.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.74 169.2 9.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.2 t -140.58 103.75 4.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.964 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.29 -98.74 2.16 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -83.1 131.57 53.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.272 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 161.51 38.53 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.548 ' O ' HG22 ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.04 157.87 42.35 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.477 1.777 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -159.74 109.4 1.85 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -101.35 151.81 21.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 tmmt? -83.87 128.31 34.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.968 HD21 HD13 ' A' ' 32' ' ' ILE . 4.1 mt -81.37 144.2 31.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.502 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -54.73 167.24 0.63 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -17.11 19.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.459 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 25.7 mtm180 -97.21 -26.91 14.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.44 HD22 HD13 ' A' ' 81' ' ' LEU . 6.2 tp -92.15 -45.1 8.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -40.97 -33.11 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.459 ' NE ' ' HA ' ' A' ' 17' ' ' ARG . 25.2 ptt180 -93.47 -38.62 11.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.2 tp -48.06 -59.57 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.2 mt -86.65 -30.0 22.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.93 0.88 63.57 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.593 ' O ' HD12 ' A' ' 14' ' ' LEU . 23.2 mt -86.58 113.68 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -72.7 -56.64 4.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.604 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.1 m -152.6 112.11 3.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.39 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.624 ' HG2' HG11 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -139.16 -179.08 5.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.591 ' OG1' HG23 ' A' ' 31' ' ' VAL . 18.6 p -71.88 -179.03 2.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.615 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.8 ttt180 -78.6 -44.29 1.97 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.96 -5.79 17.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.624 HG11 ' HG2' ' A' ' 27' ' ' GLN . 39.2 t -98.67 -35.62 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.968 HD13 HD21 ' A' ' 14' ' ' LEU . 65.5 mt -79.31 -52.52 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.582 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.3 tt -44.09 -41.55 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.416 ' C ' ' N ' ' A' ' 36' ' ' LEU . 14.9 mm-40 -67.3 -61.03 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -42.31 -28.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.516 HD21 ' CG2' ' A' ' 74' ' ' ILE . 6.0 tp -81.57 -50.55 9.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.582 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 79.4 m95 -52.57 -45.05 66.29 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -60.53 -14.24 18.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.597 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.8 t80 -86.02 -46.66 10.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.538 HG21 ' HE1' ' A' ' 71' ' ' PHE . 67.3 mt -68.99 -23.65 27.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -48.39 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.7 m -71.91 -43.27 65.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.597 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.1 m-70 -83.82 2.17 39.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.093 . . . . 0.0 109.583 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 43' ' ' HIS . 2.0 mmpt? 39.46 60.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.643 HD13 HD12 ' A' ' 60' ' ' LEU . 45.9 mt -85.53 2.06 46.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.475 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.2 tm0? -51.63 127.86 21.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 50' ' ' GLU . 28.9 t70 -63.59 130.48 94.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -19.16 18.13 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.439 1.757 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.523 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -75.96 -54.91 6.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.588 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.519 ' CB ' ' CD1' ' A' ' 53' ' ' PHE . 4.1 mm-40 -108.66 -173.27 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.475 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -119.22 -10.47 9.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.614 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -109.41 -14.71 14.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 12.1 m-85 -88.28 167.68 13.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.655 ' CG1' HD11 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -147.77 119.81 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.481 HD21 ' HG3' ' A' ' 68' ' ' ARG . 12.8 mt -78.69 110.07 13.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 35.5 m -61.94 133.63 55.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 108.306 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.536 ' OD1' HD12 ' A' ' 60' ' ' LEU . 9.4 p-10 -72.68 178.57 4.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -48.3 -48.55 35.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 8.0 m-30 -59.21 -63.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.643 HD12 HD13 ' A' ' 45' ' ' LEU . 94.3 mt -51.67 -40.95 60.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -56.32 -21.13 22.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.88 -13.58 21.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.494 HG23 HD22 ' A' ' 81' ' ' LEU . 15.3 mt -101.87 -61.35 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.541 ' CE2' HD22 ' A' ' 60' ' ' LEU . 34.2 m-85 -75.86 -41.96 50.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 71.26 32.07 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.341 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' GLN . 0.4 OUTLIER -126.84 91.76 3.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.962 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -38.42 -49.63 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.481 ' HG3' HD21 ' A' ' 55' ' ' LEU . 8.8 ttp180 -141.29 124.81 16.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.512 ' CE ' HD13 ' A' ' 74' ' ' ILE . 1.6 ptm -138.36 165.56 26.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 1.2 mttt -86.89 144.42 26.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.614 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 2.4 m-85 -52.57 -28.45 21.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.18 -11.62 59.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -96.14 2.88 53.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.338 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.655 HD11 ' CG1' ' A' ' 54' ' ' VAL . 2.3 mm -76.36 -45.26 3.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.03 -11.49 21.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.42 1.747 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -92.87 -14.86 27.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.489 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -106.08 -14.1 15.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 78' ' ' LEU . 7.8 mt -69.01 -37.49 78.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -45.59 -28.74 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.611 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.55 -44.3 29.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.494 HD22 HG23 ' A' ' 63' ' ' ILE . 8.1 mt -75.41 -12.01 60.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 78' ' ' LEU . 78.0 mt -102.29 119.17 38.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.407 ' CE ' ' HA ' ' A' ' 15' ' ' ASP . 57.7 mtm -122.84 159.54 53.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 115.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -177.95 3.84 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.52 1.8 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.458 ' C ' ' H ' ' A' ' 88' ' ' SER . 3.2 pt-20 -107.35 156.11 38.27 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 40.61 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.458 ' H ' ' C ' ' A' ' 86' ' ' GLU . 84.8 p -176.27 86.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -95.2 156.26 21.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -57.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.473 1.775 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 74.8 m -64.15 104.31 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.8 p -116.0 161.77 18.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.049 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.573 1.17 . . . . 0.0 111.043 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 p -143.57 145.31 32.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 110.019 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -130.87 146.86 52.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.017 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.08 120.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.5 p -158.82 93.82 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 109.961 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m -94.68 143.22 26.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.75 -136.51 3.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.418 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 8.4 mt-30 -52.11 140.53 32.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.559 0.799 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 8' ' ' GLN . 18.0 Cg_endo -75.06 170.63 19.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.532 1.806 . . . . 0.0 110.988 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.42 ' O ' HG22 ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.99 140.51 25.56 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.51 1.795 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 27' ' ' GLN . 21.0 mt-30 -146.11 113.84 6.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -105.18 144.15 32.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -78.42 131.6 36.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.783 HD21 HD13 ' A' ' 32' ' ' ILE . 5.7 mt -84.96 146.01 27.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -55.5 167.62 0.72 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -15.57 20.73 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.434 ' NH2' ' OD2' ' A' ' 15' ' ' ASP . 26.9 mtm180 -97.15 -28.21 14.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.683 HD22 HD13 ' A' ' 81' ' ' LEU . 7.6 tp -91.97 -48.18 6.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.48 -31.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' N ' ' C ' ' A' ' 18' ' ' LEU . 8.7 mtt180 -93.37 -46.56 7.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.34 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.477 ' HA ' HD12 ' A' ' 21' ' ' LEU . 10.6 tp -40.71 -59.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 mt -87.31 -29.73 21.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.47 -6.21 71.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.455 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.7 mt -75.24 106.4 4.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 0.744 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -63.77 -55.43 23.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.614 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 93.2 m -157.44 110.79 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.738 ' HG2' HG11 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -130.52 -169.28 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.535 ' OG1' HG23 ' A' ' 31' ' ' VAL . 37.0 p -83.09 -177.12 6.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.409 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.619 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 46.9 ttp85 -79.57 -43.84 1.6 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.09 -5.83 17.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.738 HG11 ' HG2' ' A' ' 27' ' ' GLN . 38.1 t -99.31 -44.11 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.783 HD13 HD21 ' A' ' 14' ' ' LEU . 45.4 mt -68.25 -49.49 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.587 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.2 tt -48.77 -44.53 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' TRP . 15.4 mm100 -68.62 -61.21 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.44 -30.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.545 HD21 ' CG2' ' A' ' 74' ' ' ILE . 5.7 tp -81.02 -49.29 11.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 65.6 m95 -52.71 -43.12 65.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 107.99 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -62.01 -12.88 21.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.524 ' CB ' ' O ' ' A' ' 36' ' ' LEU . 6.3 t80 -85.66 -48.97 8.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.552 ' CD1' HG21 ' A' ' 54' ' ' VAL . 42.5 mt -67.01 -24.75 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.47 -52.04 7.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.8 m -67.44 -43.14 81.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.439 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.435 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 6.9 m-70 -84.36 2.51 40.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.621 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' HIS . 22.2 mttt 39.0 58.11 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.69 HD13 HD12 ' A' ' 60' ' ' LEU . 88.2 mt -85.76 3.09 42.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.463 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.4 tt0 -51.16 133.52 27.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' A' ' 50' ' ' GLU . 64.1 t0 -65.95 125.66 90.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.423 ' HD2' ' OD1' ' A' ' 47' ' ' ASP . 18.2 Cg_endo -75.01 -10.58 21.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.779 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.468 ' CB ' ' OE2' ' A' ' 50' ' ' GLU . 3.1 m170 -83.04 -48.79 10.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.468 ' OE2' ' CB ' ' A' ' 49' ' ' HIS . 13.1 mp0 -119.95 -171.77 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.463 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 4.9 mmt-85 -119.96 -10.56 9.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.61 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 3.0 pm0 -107.29 -13.48 15.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.61 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 57.7 m-85 -96.14 167.43 11.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.758 HG11 HD11 ' A' ' 74' ' ' ILE . 0.7 OUTLIER -145.22 130.26 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.46 HD21 ' HG3' ' A' ' 68' ' ' ARG . 6.1 mt -87.71 109.28 19.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 88.4 m -62.38 130.68 46.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 108.323 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.545 ' OD2' ' CD2' ' A' ' 59' ' ' TYR . 20.2 p-10 -68.61 -169.41 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -65.8 -33.3 75.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.545 ' CD2' ' OD2' ' A' ' 57' ' ' ASP . 12.4 m-30 -72.85 -52.55 14.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.69 HD12 HD13 ' A' ' 45' ' ' LEU . 87.1 mt -62.54 -37.66 86.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -57.69 -18.93 23.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -99.23 -13.5 19.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.437 HG23 ' CD2' ' A' ' 81' ' ' LEU . 12.2 mt -102.29 -59.69 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.533 ' CE2' HD22 ' A' ' 60' ' ' LEU . 42.1 m-85 -79.76 -40.18 29.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 70.69 29.92 3.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.66 94.74 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -42.37 -47.68 4.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' HG3' HD21 ' A' ' 55' ' ' LEU . 5.4 ttp180 -141.11 122.37 14.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.444 ' HE3' HG12 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.36 168.45 19.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 111.001 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.545 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 4.4 mttt -86.63 145.75 26.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.7 m-85 -54.49 -30.82 54.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.419 ' C ' ' HD2' ' A' ' 75' ' ' PRO . 0.6 OUTLIER -76.74 -10.35 59.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.055 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -95.52 3.21 54.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.758 HD11 HG11 ' A' ' 54' ' ' VAL . 7.7 mt -77.89 -45.52 2.36 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.97 -12.12 21.57 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.516 1.798 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -89.64 -17.28 28.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.461 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -105.68 -8.66 17.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.297 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.861 HD23 HD12 ' A' ' 81' ' ' LEU . 8.4 mt -74.07 -36.53 64.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -43.06 -33.57 0.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.603 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.5 -44.96 33.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.861 HD12 HD23 ' A' ' 78' ' ' LEU . 13.9 mt -71.24 -10.84 60.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' LEU . 38.8 mt -106.07 112.85 26.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.371 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 66.1 mtm -117.86 158.91 44.58 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 115.42 4.27 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -173.76 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.788 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.71 157.97 75.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.2 m 50.0 89.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -160.92 164.05 34.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.564 1.165 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 116.03 4.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.4 p -150.58 134.06 16.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.979 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.39 157.4 16.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.981 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.21 167.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 110.005 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 t 179.63 148.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.21 172.81 38.41 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.556 1.16 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 m -139.17 133.29 31.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 0.734 . . . . 0.0 109.937 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 t -171.63 159.81 5.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 110.0 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.03 -94.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -73.54 149.38 88.53 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.466 0.745 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 163.57 34.96 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 110.97 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.706 ' O ' HG22 ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.97 162.37 37.3 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.496 1.787 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -160.96 107.66 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -101.61 155.16 18.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -86.61 138.67 31.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.366 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.894 HD12 ' O ' ' A' ' 24' ' ' ILE . 3.9 mt -89.0 144.36 26.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.514 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -55.99 167.75 0.81 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -17.19 19.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' HB3' HD11 ' A' ' 63' ' ' ILE . 23.4 mtm180 -97.35 -26.77 14.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.422 HD22 HD13 ' A' ' 81' ' ' LEU . 6.4 tp -92.2 -45.2 8.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . -39.95 -33.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.28 -41.45 9.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.401 ' CD2' HD12 ' A' ' 18' ' ' LEU . 11.9 tp -45.31 -57.51 3.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 mt -87.16 -34.56 19.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.55 -4.57 54.16 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.543 1.152 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.894 ' O ' HD12 ' A' ' 14' ' ' LEU . 33.6 mt -95.16 127.0 47.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.764 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -90.5 -57.55 2.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.638 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.423 ' O ' ' OE1' ' A' ' 27' ' ' GLN . 45.3 m -130.74 126.54 36.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.403 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.824 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -160.07 171.67 18.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.706 HG22 ' O ' ' A' ' 10' ' ' PRO . 72.9 p -67.9 -174.31 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.662 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 6.9 ttp-105 -83.71 -42.1 0.79 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.95 -4.77 15.9 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.492 1.785 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.824 HG11 ' CG ' ' A' ' 27' ' ' GLN . 11.8 t -100.61 -32.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.495 HG21 HD21 ' A' ' 82' ' ' LEU . 59.1 mt -82.13 -53.96 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.58 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 0.7 OUTLIER -44.23 -46.83 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' LEU . 61.2 mm-40 -65.59 -61.6 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 34' ' ' GLN . . . -39.12 -30.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.24 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.615 HD21 ' CG2' ' A' ' 74' ' ' ILE . 7.4 tp -80.48 -52.39 7.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.58 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 92.5 m95 -52.2 -45.35 65.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 108.005 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -59.17 -14.62 11.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.689 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 5.2 t80 -86.11 -48.3 8.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.596 HG21 ' HE1' ' A' ' 71' ' ' PHE . 24.1 mt -67.77 -23.74 29.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.97 -49.77 10.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -72.13 -46.87 54.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.394 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.689 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 5.7 m170 -78.6 -0.26 29.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.612 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt 41.04 59.73 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.721 HD13 HD12 ' A' ' 60' ' ' LEU . 78.5 mt -84.58 0.52 49.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.453 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -51.95 128.48 24.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' O ' ' A' ' 50' ' ' GLU . 35.1 t70 -61.22 131.16 92.07 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -12.15 21.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.544 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -87.69 -56.12 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.607 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 47' ' ' ASP . 5.1 mm-40 -112.67 171.68 7.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.453 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 6.7 mmt180 -107.39 -11.88 15.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.608 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 6.7 pm0 -98.57 -22.38 16.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.608 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 64.2 m-85 -90.75 168.47 11.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.737 HG11 HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -147.63 123.58 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.478 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 4.9 mt -81.83 106.42 13.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 21.3 m -61.3 133.35 55.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 108.28 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 4.1 p-10 -73.69 166.54 23.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.22 -32.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.416 ' N ' ' C ' ' A' ' 57' ' ' ASP . 10.1 m-30 -70.83 -66.76 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.721 HD12 HD13 ' A' ' 45' ' ' LEU . 96.9 mt -57.23 -30.23 64.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -64.72 -18.63 65.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.36 -15.04 18.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.403 HD11 ' HB3' ' A' ' 17' ' ' ARG . 6.7 mt -101.74 -59.3 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.585 ' CE1' HD22 ' A' ' 60' ' ' LEU . 34.5 m-85 -76.4 -36.43 58.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 66.81 30.7 7.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.61 96.08 4.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.952 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 68' ' ' ARG . 11.5 pt20 -46.39 -45.29 17.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 16.6 ttt180 -145.2 122.32 11.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 110.25 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.644 ' SD ' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.91 167.99 20.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.599 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -85.37 140.78 30.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.598 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 2.3 m-85 -52.14 -31.88 33.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -12.88 61.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.097 . . . . 0.0 109.992 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -95.43 4.79 52.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.737 HD11 HG11 ' A' ' 54' ' ' VAL . 1.6 mm -76.07 -46.37 3.75 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.99 -11.43 21.49 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.469 1.773 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -92.12 -15.32 27.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.478 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -104.82 -14.92 15.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 78' ' ' LEU . 9.1 mt -67.66 -37.37 82.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -44.15 -32.18 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.594 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.55 -48.32 22.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.447 HD11 ' CE1' ' A' ' 64' ' ' PHE . 9.4 mt -68.36 -13.48 62.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.495 HD21 HG21 ' A' ' 32' ' ' ILE . 81.8 mt -101.56 119.94 39.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 62.1 mtm -120.48 160.88 42.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 113.56 3.82 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 177.52 8.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -100.92 147.93 34.37 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -30.57 7.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.532 1.806 . . . . 0.0 111.004 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.08 -49.1 43.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.026 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.7 -151.46 18.26 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 167.99 25.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.552 1.817 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.63 -70.83 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.049 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 m 62.39 100.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.032 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.941 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 p -166.26 132.48 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 p -164.32 -58.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.24 112.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.45 124.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -177.48 170.8 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.24 134.14 13.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 40.48 66.42 3.4 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 173.04 15.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.995 ' O ' HG22 ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.99 170.93 19.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.487 1.783 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -161.76 115.52 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -100.16 157.65 16.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -91.19 129.52 37.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.815 HD21 HD13 ' A' ' 32' ' ' ILE . 6.3 mt -80.21 148.37 30.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -59.25 166.7 2.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -15.65 20.8 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.564 1.823 . . . . 0.0 111.028 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.26 -28.14 14.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.693 HD22 HD13 ' A' ' 81' ' ' LEU . 6.5 tp -92.06 -46.71 7.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . -39.12 -30.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.45 ' N ' ' C ' ' A' ' 18' ' ' LEU . 1.3 mtt180 -94.53 -45.18 7.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.501 HD23 HD12 ' A' ' 18' ' ' LEU . 16.3 tp -40.54 -60.75 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.4 mt -85.39 -37.4 19.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.91 13.86 44.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.601 ' O ' HD12 ' A' ' 14' ' ' LEU . 11.0 mt -94.19 99.74 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -50.81 -62.94 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.599 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -157.12 119.8 3.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.375 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.721 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -138.59 -168.36 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.995 HG22 ' O ' ' A' ' 10' ' ' PRO . 34.4 p -83.47 -166.96 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.565 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 11.4 ttp180 -83.54 -47.85 0.76 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.02 -5.39 16.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.721 HG11 ' CG ' ' A' ' 27' ' ' GLN . 48.1 t -99.79 -24.66 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.815 HD13 HD21 ' A' ' 14' ' ' LEU . 68.2 mt -94.78 -54.03 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.604 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 1.0 OUTLIER -42.45 -41.94 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' LEU . 45.1 mm-40 -66.04 -60.15 3.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.04 -29.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.596 ' CD2' ' CG2' ' A' ' 74' ' ' ILE . 5.7 tp -81.39 -52.28 7.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 90.0 m95 -52.49 -45.49 66.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.434 ' HA ' ' NE2' ' A' ' 38' ' ' GLN . 8.7 tp60 -61.87 -12.72 19.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.594 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 4.7 t80 -87.98 -49.9 6.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.54 HG21 ' HE1' ' A' ' 71' ' ' PHE . 21.6 mt -68.11 -20.62 25.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.85 -47.85 10.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -74.31 -44.6 51.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.594 ' CE1' ' CZ ' ' A' ' 39' ' ' TYR . 5.8 m-70 -80.43 2.9 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.618 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' HIS . 10.7 mmtt 39.27 60.09 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.73 HD13 HD12 ' A' ' 60' ' ' LEU . 90.7 mt -87.36 0.05 56.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.476 ' NE2' ' HA ' ' A' ' 51' ' ' ARG . 1.8 tt0 -52.04 128.37 24.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' O ' ' A' ' 50' ' ' GLU . 27.9 t70 -58.41 129.42 83.8 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -11.98 21.44 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.523 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -85.33 -54.35 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.618 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 47' ' ' ASP . 4.2 mm-40 -113.89 -175.4 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.476 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 7.2 mmt180 -116.38 -15.29 10.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.627 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 4.5 pm0 -98.39 -21.32 16.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.627 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 52.9 m-85 -88.43 165.49 14.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.633 HG11 HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -146.5 124.99 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.483 ' CD2' ' HG3' ' A' ' 68' ' ' ARG . 3.6 mt -84.4 108.08 17.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 56.2 m -61.05 131.79 51.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 108.304 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.19 -178.84 2.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.52 -56.95 6.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.508 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 4.4 m-30 -53.4 -62.6 1.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.73 HD12 HD13 ' A' ' 45' ' ' LEU . 85.0 mt -50.69 -42.86 57.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -58.14 -16.9 15.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.19 -14.73 19.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.492 HG23 HD21 ' A' ' 81' ' ' LEU . 8.8 mt -102.95 -59.15 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.559 ' CE2' HD22 ' A' ' 60' ' ' LEU . 58.9 m-85 -83.15 -38.17 22.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 65.35 28.39 11.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 77.4 p -111.85 89.72 3.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -41.66 -44.78 3.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.483 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 28.8 ttt180 -149.37 121.25 8.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -140.51 169.05 18.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.617 ' HG3' ' CE2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -87.91 143.43 27.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.597 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 3.5 m-85 -53.69 -28.87 36.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.9 t -74.8 -11.71 60.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -95.76 3.82 53.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.633 HD11 HG11 ' A' ' 54' ' ' VAL . 1.5 mm -75.95 -45.82 3.88 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.97 -11.12 21.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.769 . . . . 0.0 111.027 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -92.95 -13.66 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.31 -16.39 14.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.599 HD23 HD12 ' A' ' 81' ' ' LEU . 8.1 mt -67.58 -39.35 84.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -42.42 -35.29 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.604 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.44 -51.4 29.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.693 HD13 HD22 ' A' ' 18' ' ' LEU . 23.1 mt -65.43 -18.73 65.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 78' ' ' LEU . 86.9 mt -95.74 114.42 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 75.9 mtm -114.6 161.28 29.58 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 113.76 3.86 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.85 3.78 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -144.09 157.74 56.66 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.91 92.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 168.01 163.79 22.56 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 158.59 42.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 57.2 p -104.81 -57.11 2.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.24 126.17 30.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.432 1.082 . . . . 0.0 110.969 -179.961 . . . . . . . . 0 0 . 1 stop_ save_