data_1l6t_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 1l6t _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -44.6 -51.45 9.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.434 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 6.9 ttm -44.97 -48.87 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.65 -39.05 73.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.585 1.178 . . . . 0.0 109.349 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.95 -71.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.39 -62.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 11' ' ' MET . 64.6 t -41.76 -53.76 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -48.64 69.5 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 76.2 mtp -55.4 -52.11 64.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.452 ' O ' ' CG1' ' A' ' 22' ' ' ILE . . . -47.28 -40.36 14.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.387 1.054 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.29 -70.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 0.738 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.16 -61.56 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.3 -55.87 3.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.452 ' CG1' ' O ' ' A' ' 18' ' ' GLY . 27.2 mt -48.01 -47.68 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.79 -64.28 3.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' GLY . 15.8 t0 -55.65 -63.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.362 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.491 ' O ' ' CG1' ' A' ' 60' ' ' VAL . . . -40.55 -29.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' GLY . 0.2 OUTLIER -79.05 -50.95 17.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.74 -45.49 0.54 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.459 1.099 . . . . 0.0 111.02 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.464 HG21 ' CG1' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -75.55 -50.82 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 0.0 109.236 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -44.34 -51.58 7.58 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.3 mm -68.1 -31.18 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.733 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -58.08 -45.63 86.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.49 -35.68 29.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.89 -36.99 17.25 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -75.81 -2.61 30.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.5 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 2.4 t80 -94.01 -33.89 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.03 -60.83 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.24 -39.94 84.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.21 -58.68 12.76 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.409 1.068 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.474 ' HB2' ' CD2' ' A' ' 49' ' ' LEU . . . -61.52 -22.91 65.55 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.577 0.81 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.42 -24.43 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.235 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -59.41 -35.1 73.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.464 ' HG3' ' CD1' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -120.84 118.98 30.24 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.342 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.28 9.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.547 1.814 . . . . 0.0 110.985 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.96 11.85 38.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.464 ' CD1' ' HG3' ' A' ' 42' ' ' GLN . 3.6 mp -131.05 23.72 4.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.516 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.8 OUTLIER -76.08 -51.96 2.65 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.2 Cg_endo -74.95 -13.74 21.44 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.55 1.816 . . . . 0.0 110.996 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.42 -64.23 1.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.373 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.5 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -46.45 -35.31 5.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.414 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 10.1 ttp180 -71.33 -48.94 47.3 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 0.0 110.276 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.443 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 33.7 m -57.12 -56.83 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -38.22 73.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -60.75 -63.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.455 ' O ' ' CB ' ' A' ' 57' ' ' MET . 2.4 t80 -37.79 -56.63 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 111.04 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.443 ' CD1' ' O ' ' A' ' 51' ' ' THR . 3.3 mt -53.11 -51.57 37.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.496 ' O ' ' CG2' ' A' ' 60' ' ' VAL . 89.2 t -55.07 -28.93 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.383 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.455 ' CB ' ' O ' ' A' ' 54' ' ' PHE . 1.0 OUTLIER -61.05 -58.81 6.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.92 -46.4 89.51 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 tt -57.62 -38.29 74.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 56' ' ' VAL . 2.6 t -62.26 -39.77 85.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.401 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 1.1 m-80 -82.94 -5.36 59.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.495 ' O ' ' CG1' ' A' ' 66' ' ' ILE . . . -90.56 -23.03 20.99 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.459 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 0.6 OUTLIER -61.85 -54.67 48.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.99 -46.05 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.791 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.401 ' SD ' ' C ' ' A' ' 65' ' ' MET . 0.3 OUTLIER -53.31 -40.41 64.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 62' ' ' ALA . 50.0 mt -79.9 -29.04 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.56 -71.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.249 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.5 t -63.95 -27.95 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.02 -57.5 18.03 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.547 1.154 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -56.25 22.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.624 0.838 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -42.34 -49.69 5.6 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.72 -66.1 0.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 0.723 . . . . 0.0 109.216 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -37.99 -41.93 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 111.021 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.81 -55.19 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.36 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 8.2 tmm? -49.18 -51.11 34.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -68.01 -15.64 63.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.91 -55.62 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.6 p -95.99 14.16 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.518 ' CE2' ' HB2' ' A' ' 75' ' ' MET . 2.5 t80 -37.93 -33.32 0.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.168 . . . . 0.0 110.988 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.412 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 2.7 ttm -69.19 -55.57 10.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.9 77.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.03 -71.49 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.37 -62.36 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.24 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' A' ' 11' ' ' MET . 47.7 t -40.42 -46.41 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -49.59 76.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.496 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 47.2 mtt -58.84 -31.89 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.67 -63.14 4.25 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 pp -56.03 -58.81 6.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.56 -61.91 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.217 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -44.21 -56.39 4.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 109.327 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.7 mt -48.11 -46.84 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.32 -65.39 2.57 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 27' ' ' GLY . 8.3 t0 -56.27 -61.35 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.5 ' O ' ' CG2' ' A' ' 60' ' ' VAL . . . -40.89 -29.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.449 ' N ' ' C ' ' A' ' 24' ' ' ASP . 0.2 OUTLIER -79.23 -50.91 17.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.76 -45.35 0.53 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.456 1.098 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.457 ' CG2' HG11 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -75.62 -50.59 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -44.91 -51.53 8.3 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 mp -67.89 -31.12 50.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -59.23 -43.57 92.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.91 -31.6 55.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.06 -43.36 8.81 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.53 -9.9 46.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.433 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 2.3 t80 -92.45 -31.69 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.442 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 4.7 tp -42.33 -60.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.24 -36.91 82.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.79 -34.63 78.46 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.64 -12.45 23.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.612 0.83 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.85 -28.71 67.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.68 -0.75 57.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.405 ' CB ' ' HB2' ' A' ' 45' ' ' LEU . 7.9 mm100 -114.79 104.39 54.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 0.73 8.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.539 1.81 . . . . 0.0 110.97 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.77 13.14 9.92 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.405 ' HB2' ' CB ' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -131.41 15.32 5.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.512 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.7 OUTLIER -72.32 -51.79 7.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.1 Cg_endo -75.01 -1.03 10.69 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.3 mt -99.55 -51.02 3.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.442 ' CD2' ' HA ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -53.92 -50.26 66.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.419 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -58.56 -66.01 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.8 m -38.64 -47.38 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.399 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -54.82 40.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.365 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -44.59 -59.75 2.32 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -43.21 -51.54 6.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 110.962 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.0 mt -62.44 -39.57 84.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.462 1.101 . . . . 0.0 109.242 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.457 HG11 ' CG2' ' A' ' 28' ' ' ILE . 52.0 t -58.92 -66.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 mtt -42.58 -31.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 62' ' ' ALA . . . -74.88 -41.5 33.22 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -78.72 -7.27 57.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.539 0.787 . . . . 0.0 109.272 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 25' ' ' ALA . 62.5 t -88.05 -38.23 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.476 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER -94.17 -10.45 33.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 58' ' ' GLY . . . -92.87 -39.63 11.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.56 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mt -49.77 -49.19 74.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.05 -53.52 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.559 1.821 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.429 ' HB2' ' O ' ' A' ' 61' ' ' ASN . 2.8 mtm -42.41 -47.09 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.043 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.2 mt -75.54 -30.82 22.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.439 1.087 . . . . 0.0 109.276 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 64' ' ' PRO . . . -61.86 -71.07 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.113 . . . . 0.0 109.36 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.0 t -66.57 -27.66 40.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.35 -61.18 7.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.12 -52.04 67.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.751 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -46.87 -45.23 18.92 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.554 1.159 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 75' ' ' MET . 1.9 mt -65.05 -60.52 2.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.764 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -40.37 -44.89 2.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.3 -44.12 98.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.518 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 4.4 ttt -59.47 -40.23 86.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -80.62 -12.97 59.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.88 -47.48 45.57 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.0 p -72.77 -31.48 36.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.153 . . . . 0.0 109.36 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 13' ' ' ALA . 1.9 m-30 -52.3 -50.23 62.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 111.077 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.493 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 21.6 ttt -45.82 -52.52 11.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.77 -24.62 66.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . -76.23 -72.3 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.58 -54.29 9.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.232 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 11' ' ' MET . 79.5 t -47.69 -48.21 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.6 mtp -59.4 -55.95 28.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.6 mtp -51.64 -36.4 45.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 19' ' ' LEU . . . -66.36 -73.93 0.58 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' GLY . 0.7 OUTLIER -39.72 -53.86 2.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 0.797 . . . . 0.0 109.256 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.21 -55.77 18.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.24 -62.69 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.5 mt -43.21 -45.45 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.02 -63.86 3.95 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.48 1.112 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.433 ' C ' ' N ' ' A' ' 26' ' ' ILE . 3.5 t70 -58.84 -60.99 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.471 ' CB ' HG12 ' A' ' 60' ' ' VAL . . . -41.27 -29.2 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.433 ' N ' ' C ' ' A' ' 24' ' ' ASP . 0.3 OUTLIER -77.56 -51.91 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.628 1.205 . . . . 0.0 109.263 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -35.01 -46.32 0.64 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.56 1.163 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.409 ' CD1' ' HA ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -73.92 -52.22 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.451 0.736 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -43.86 -53.61 6.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.118 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.0 mm -65.75 -29.67 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.382 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' ILE . 0.6 OUTLIER -59.68 -48.15 82.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.225 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.527 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -50.58 -37.63 33.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.68 -41.14 35.86 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -8.26 54.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -98.1 -33.17 11.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.5 tp -52.91 -46.45 68.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 1.2 tt0 -66.36 -42.4 88.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.254 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.09 -62.64 5.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.02 -16.09 28.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 37' ' ' GLU . . . -53.05 -23.85 8.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.422 ' HB3' ' NE2' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -60.19 -35.12 74.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.222 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.471 ' HG3' ' CD1' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -120.1 118.3 31.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 0.37 9.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.42 11.13 39.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' A' ' 42' ' ' GLN . 6.3 mp -136.94 12.07 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.497 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 1.1 mt -77.66 -53.08 1.58 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.4 Cg_endo -75.05 0.72 8.59 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.549 1.815 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.4 mp -95.57 -61.39 1.47 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.498 ' CD2' ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -67.49 -32.99 74.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 109.376 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.471 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 1.2 ttm-85 -60.19 -66.74 0.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 110.312 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.9 m -46.13 -37.73 7.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.384 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -52.89 62.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.363 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.527 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 28.3 t80 -48.94 -35.32 14.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -62.55 -58.33 7.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mt -59.21 -34.76 54.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.462 ' HA ' ' CD2' ' A' ' 59' ' ' LEU . 23.3 t -69.33 -32.41 53.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -52.62 64.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.442 1.089 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.71 -63.07 5.61 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.57 1.169 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -48.45 -44.56 35.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 0.782 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.471 HG12 ' CB ' ' A' ' 25' ' ' ALA . 2.7 t -56.89 -42.74 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.447 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 1.2 m-80 -78.31 -2.71 39.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.26 -25.34 19.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.498 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -58.58 -52.88 71.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.367 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.98 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -46.89 -43.26 18.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.7 mt -79.71 -29.34 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.99 -69.57 0.27 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.613 1.196 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.6 t -67.63 -31.48 52.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.51 -57.09 6.79 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.453 1.095 . . . . 0.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -69.67 -56.67 6.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.425 0.721 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -38.34 -39.04 0.69 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.89 -64.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -37.49 -40.97 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.7 t -68.65 -62.51 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -48.35 -22.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.95 -30.65 14.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.04 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.36 -52.17 55.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.5 p -59.99 -47.37 92.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -37.64 -52.22 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.5 ttp -51.45 -61.19 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.31 -42.41 52.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 14' ' ' ALA . . . -60.67 -78.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -39.15 -62.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.8 t -40.21 -54.48 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.6 mmm -56.17 -46.03 79.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.2 mtt -57.97 -60.49 3.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.461 1.1 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.401 ' O ' ' CG1' ' A' ' 22' ' ' ILE . . . -47.28 -42.38 17.65 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.143 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.07 -69.86 0.23 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 0.773 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.83 -63.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.8 -58.35 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.356 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.401 ' CG1' ' O ' ' A' ' 18' ' ' GLY . 28.8 mt -45.11 -49.19 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.37 -63.72 3.54 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.2 OUTLIER -55.47 -63.41 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.44 ' O ' ' CG1' ' A' ' 60' ' ' VAL . . . -40.53 -29.65 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.371 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.447 ' N ' ' C ' ' A' ' 24' ' ' ASP . 0.2 OUTLIER -78.64 -51.15 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.335 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.88 -45.68 0.57 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -75.2 -49.59 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.567 0.804 . . . . 0.0 109.215 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' ILE . . . -45.28 -50.96 9.49 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.485 1.116 . . . . 0.0 111.042 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mm -68.7 -30.13 46.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.421 0.718 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.57 -40.05 95.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.565 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -55.18 -36.36 61.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.44 1.088 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -78.89 -40.5 17.03 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -68.44 -9.31 47.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 0.765 . . . . 0.0 109.373 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.571 ' CD2' HD13 ' A' ' 49' ' ' LEU . 1.4 t80 -94.55 -31.17 14.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.1 mt -53.6 -47.95 69.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 109.309 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.01 -38.52 86.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.02 -54.85 30.16 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.12 -16.8 64.26 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 0.749 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.45 -20.92 5.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.48 -27.14 60.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.418 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -116.95 110.68 41.49 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.95 0.3 9.05 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.543 1.812 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.25 12.8 23.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.418 ' HB2' ' CG ' ' A' ' 42' ' ' GLN . 3.3 mp -133.56 10.08 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.512 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.6 OUTLIER -76.42 -52.4 2.3 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.3 Cg_endo -74.95 0.22 9.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 mp -99.14 -56.14 2.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.571 HD13 ' CD2' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -60.83 -39.43 89.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.09 -62.25 1.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.132 . . . . 0.0 110.252 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.4 m -38.73 -57.12 1.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.376 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -56.18 -60.52 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.252 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.565 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 7.4 t80 -40.76 -41.6 1.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -57.02 -60.79 3.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 111.046 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.2 mt -56.73 -34.8 43.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.56 -50.51 80.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.7 ttt -50.27 -39.31 44.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 111.011 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 61' ' ' ASN . . . -63.48 -69.95 1.18 Allowed Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.427 1.08 . . . . 0.0 110.948 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 pp -44.38 -43.91 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 0.807 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.44 ' CG1' ' O ' ' A' ' 25' ' ' ALA . 2.7 t -52.21 -40.98 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' GLY . 3.9 m120 -81.73 -19.53 41.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.439 ' O ' ' CG1' ' A' ' 66' ' ' ILE . . . -86.1 -1.97 57.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.245 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -77.18 -56.08 1.28 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.437 ' N ' HG23 ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.97 -39.05 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.805 . . . . 0.0 111.065 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.4 ttt -59.53 -46.55 88.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.439 ' CG1' ' O ' ' A' ' 62' ' ' ALA . 69.0 mt -75.03 -29.02 21.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.04 -72.55 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.72 -33.65 55.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.13 -50.33 55.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.7 -62.26 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.747 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -41.16 -47.02 4.32 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.516 1.135 . . . . 0.0 111.05 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 75' ' ' MET . 2.0 mt -63.64 -63.32 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 72' ' ' LEU . 1.9 t80 -37.91 -41.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.8 t -66.71 -50.45 65.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -55.7 -54.85 39.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.931 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.19 -44.39 97.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.6 -69.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.2 p -59.78 -36.71 67.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.488 ' CD2' ' SD ' ' A' ' 75' ' ' MET . 48.6 t80 -37.86 -54.2 1.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.497 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 8.1 ttt -45.74 -51.09 13.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.0 -48.65 75.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.7 -73.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.78 -63.84 0.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 11' ' ' MET . 54.9 t -40.17 -54.16 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -47.98 64.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.6 mtt -57.54 -42.41 82.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.155 . . . . 0.0 111.027 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.401 ' O ' ' CD1' ' A' ' 22' ' ' ILE . . . -55.16 -40.51 75.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.7 -68.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 0.724 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.18 -62.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.31 -53.85 3.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.061 . . . . 0.0 109.233 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.401 ' CD1' ' O ' ' A' ' 18' ' ' GLY . 10.6 mt -48.84 -49.41 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.9 -64.64 2.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 27' ' ' GLY . 4.4 t70 -55.0 -63.55 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.493 ' O ' ' CG2' ' A' ' 60' ' ' VAL . . . -40.0 -29.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.364 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.45 ' N ' ' C ' ' A' ' 24' ' ' ASP . 0.1 OUTLIER -78.89 -52.04 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.08 . . . . 0.0 109.288 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.65 -44.07 0.43 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.464 ' CG2' HG13 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -75.53 -48.75 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 0.764 . . . . 0.0 109.282 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 26' ' ' ILE . . . -49.29 -48.44 33.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.421 ' CD1' HG21 ' A' ' 26' ' ' ILE . 1.7 mp -67.81 -31.93 54.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -58.46 -56.94 15.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.409 ' N ' ' HG ' ' A' ' 31' ' ' LEU . . . -46.2 -29.44 3.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.566 1.166 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.78 -38.18 8.91 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.46 -2.04 30.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 0.797 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -94.84 -27.54 15.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 tp -56.96 -31.95 65.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.379 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.82 -29.12 16.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.75 -52.84 8.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.465 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . . . -79.46 1.19 26.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.87 -18.68 63.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -79.36 -17.51 54.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -114.71 113.26 44.95 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 110.305 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 0.25 9.08 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.48 13.19 24.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.411 ' N ' HD22 ' A' ' 45' ' ' LEU . 2.3 mm? -120.9 17.68 11.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.497 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.6 OUTLIER -76.25 -52.46 2.41 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.4 Cg_endo -75.03 -1.01 10.67 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.8 mt -107.53 -65.72 1.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -45.86 -45.09 14.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -59.16 -70.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.7 m -38.87 -47.78 1.47 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.375 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 53' ' ' PHE . 15.1 mt-30 -52.45 -62.43 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 52' ' ' GLN . 9.5 t80 -37.79 -63.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -37.47 -55.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.3 mt -59.41 -52.37 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.604 1.19 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.464 HG13 ' CG2' ' A' ' 28' ' ' ILE . 24.4 t -45.12 -61.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -36.49 4.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.33 -53.93 19.06 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.12 -17.36 63.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 109.235 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 25' ' ' ALA . 5.5 t -73.47 -42.63 56.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.457 ' O ' ' CB ' ' A' ' 65' ' ' MET . 1.0 OUTLIER -90.74 -2.07 57.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.68 -34.12 14.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.504 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -56.8 -52.07 76.59 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.98 -48.74 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.457 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 12.1 ttt -49.24 -43.29 42.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 14.8 mt -78.59 -28.87 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.4 -70.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.56 -28.27 43.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.12 -51.53 55.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.438 1.086 . . . . 0.0 111.055 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.32 -56.33 13.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 0.75 . . . . 0.0 109.324 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -43.39 -47.58 6.95 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.5 mt -63.56 -61.98 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 0.779 . . . . 0.0 109.353 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -38.41 -42.73 0.76 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.54 -61.63 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.488 ' SD ' ' CD2' ' A' ' 10' ' ' TYR . 4.2 tpt -44.0 -50.97 8.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -65.6 -43.23 90.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.67 -69.11 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.49 -31.32 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 tt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -47.99 -60.71 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.499 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 2.5 ttp -49.49 -41.5 40.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.16 -52.47 65.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 109.314 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.81 -66.62 0.51 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 17' ' ' MET . . . -40.15 -67.35 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 11' ' ' MET . 78.3 t -40.38 -48.54 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -44.25 78.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.482 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 33.2 mtp -65.25 -32.8 74.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.94 -64.85 3.6 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.48 -68.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 0.722 . . . . 0.0 109.225 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.1 -61.24 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -42.87 -63.79 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.4 mt -43.99 -43.64 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.4 ' O ' ' HB ' ' A' ' 26' ' ' ILE . . . -49.24 -67.49 1.72 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -58.73 -58.85 6.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -40.9 -29.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -78.43 -50.85 18.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.363 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.38 -46.31 0.53 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.457 1.098 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.471 HG21 ' CG1' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -76.11 -47.7 30.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.489 0.758 . . . . 0.0 109.34 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 26' ' ' ILE . . . -47.11 -54.06 10.19 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 23.8 mm -65.52 -31.44 53.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -58.05 -46.42 85.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.57 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -50.74 -37.76 35.29 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.55 -41.95 28.34 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -71.95 -6.2 40.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.58 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 1.4 t80 -90.83 -30.11 17.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.996 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -53.62 -50.39 65.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.65 -42.76 98.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.415 1.072 . . . . 0.0 110.228 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.53 -42.9 97.89 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.472 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . . . -88.18 12.73 12.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 0.739 . . . . 0.0 109.207 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.23 -14.16 41.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.26 -32.95 59.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.454 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -126.32 121.79 23.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.375 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.11 0.83 8.47 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.809 . . . . 0.0 110.934 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.6 8.76 41.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.51 10.26 4.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.484 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 1.1 mt -76.09 -52.76 2.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.1 Cg_endo -75.0 0.05 9.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.476 1.777 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -101.1 -54.46 2.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.58 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -67.74 -34.08 76.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.405 ' N ' HD22 ' A' ' 49' ' ' LEU . 17.1 ttm-85 -57.91 -71.31 0.11 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.8 m -40.13 -51.98 2.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.37 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' PHE . 8.8 mt-30 -51.82 -62.93 1.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 10.2 t80 -37.49 -62.68 0.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -37.48 -59.35 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.2 mt -57.07 -49.66 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.229 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.471 ' CG1' HG21 ' A' ' 28' ' ' ILE . 59.9 t -47.33 -44.7 9.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.1 ttt -54.5 -49.08 71.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 111.048 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.99 -46.77 93.38 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.9 tt -61.73 -33.39 73.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 0.736 . . . . 0.0 109.251 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.7 t -62.67 -39.78 85.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.408 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -85.88 -5.39 59.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.92 -19.4 23.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.371 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.471 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.2 mt -67.0 -54.35 20.93 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.5 Cg_endo -75.0 -39.77 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.414 1.744 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.4 -39.04 82.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.8 mt -80.56 -28.99 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.24 -71.12 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.7 t -61.61 -28.58 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.03 -58.99 11.7 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.46 -54.65 43.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -48.03 -43.88 25.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 75' ' ' MET . 3.1 mt -64.23 -64.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -38.8 -44.78 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.58 -49.64 82.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 72' ' ' LEU . 3.2 tmm? -54.65 -58.56 7.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -54.25 -47.02 72.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -47.44 -70.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.1 m -57.77 -45.59 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.478 ' CE2' ' HG3' ' A' ' 75' ' ' MET . 31.1 t80 -38.12 -57.36 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 20.1 ttp -45.5 -49.79 13.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.12 -35.39 69.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.93 -71.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.78 -62.53 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 67.6 t -41.9 -53.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -41.79 74.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.598 1.186 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.0 mtt -64.49 -63.31 1.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.496 ' O ' ' CD1' ' A' ' 22' ' ' ILE . . . -42.5 -42.55 4.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.0 mp -58.48 -70.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.91 -60.01 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.29 -54.49 3.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 109.356 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 18' ' ' GLY . 18.0 mt -51.26 -45.47 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.97 -64.61 3.16 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.443 ' C ' ' N ' ' A' ' 26' ' ' ILE . 2.9 t70 -55.95 -61.42 2.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.503 ' O ' ' CG2' ' A' ' 60' ' ' VAL . . . -41.6 -28.54 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.153 . . . . 0.0 109.233 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.443 ' N ' ' C ' ' A' ' 24' ' ' ASP . 0.1 OUTLIER -79.32 -50.73 17.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -35.7 -44.57 0.69 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.55 1.156 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.469 HG23 ' CG1' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -76.17 -49.71 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.407 ' N ' HG21 ' A' ' 60' ' ' VAL . . . -45.19 -50.34 9.57 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.7 mp -69.0 -31.92 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 109.293 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 27' ' ' GLY . 0.4 OUTLIER -61.32 -38.97 88.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.27 -37.87 55.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 111.065 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.26 -32.64 22.35 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.49 -1.88 29.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' LEU . 2.0 t80 -91.45 -32.14 15.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.447 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -39.5 -33.67 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -101.22 -44.7 5.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.3 -24.04 14.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.448 ' HB1' ' CD1' ' A' ' 49' ' ' LEU . . . -95.99 -24.8 16.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 0.796 . . . . 0.0 109.277 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.39 -29.0 9.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.248 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -35.21 44.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.49 124.35 26.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.469 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 18.4 Cg_endo -75.03 -1.12 10.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.465 1.771 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.94 14.47 28.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.411 1.069 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.71 25.06 5.7 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.511 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 1.2 mp -75.07 -51.93 3.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.5 Cg_endo -74.98 -18.56 18.68 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.6 mt -85.41 -27.58 25.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.348 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.448 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -52.92 -71.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 51' ' ' THR . 2.3 mtm180 -50.83 -59.39 4.16 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.5 1.125 . . . . 0.0 110.191 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' ARG . 19.4 m -38.03 -46.54 1.01 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.575 1.172 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.52 -54.5 38.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 54' ' ' PHE . 28.5 t80 -48.9 -64.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -37.2 -56.51 0.93 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.434 1.083 . . . . 0.0 111.012 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.3 mt -56.79 -50.52 74.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.469 ' CG1' HG23 ' A' ' 28' ' ' ILE . 17.4 t -50.62 -66.25 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.22 -29.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.81 -43.74 21.97 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -77.62 -8.54 58.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 25' ' ' ALA . 55.8 t -85.45 -40.65 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.493 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER -90.25 -16.61 29.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 109.351 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -86.72 -43.8 12.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.503 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -39.31 -52.58 4.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.581 1.176 . . . . 0.0 109.321 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.06 -39.44 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.563 1.823 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.7 tpt -49.56 -55.28 14.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.7 mt -70.33 -30.88 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.05 -71.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.1 t -63.36 -29.36 47.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.77 -53.16 41.11 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.05 -55.55 21.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.781 . . . . 0.0 109.356 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.59 -43.68 7.98 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 75' ' ' MET . 2.4 mt -66.82 -63.41 1.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.753 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -37.78 -41.12 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.1 t -67.83 -50.34 60.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.478 ' HG3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -56.48 -57.74 11.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 111.038 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.412 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 79.3 t80 -57.55 -51.35 69.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.6 -65.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.6 p -62.77 -39.88 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.52 ' CE2' ' HG3' ' A' ' 75' ' ' MET . 0.0 OUTLIER -50.16 -34.44 22.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.402 1.064 . . . . 0.0 111.033 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.472 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 35.5 ttm -70.75 -56.74 5.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.0 -21.62 3.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.47 -79.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.15 -52.16 7.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.5 t -46.34 -54.44 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.406 1.066 . . . . 0.0 109.364 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.0 mtt -52.99 -43.71 66.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.409 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 17.8 mtp -62.23 -44.77 95.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.399 1.062 . . . . 0.0 111.009 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.465 ' O ' ' CG1' ' A' ' 22' ' ' ILE . . . -60.23 -43.23 98.69 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mp -62.9 -68.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 0.802 . . . . 0.0 109.264 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' GLY . . . -46.28 -61.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -44.75 -54.74 5.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.465 ' CG1' ' O ' ' A' ' 18' ' ' GLY . 34.7 mt -51.61 -37.34 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' ALA . . . -56.97 -63.87 4.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -57.69 -59.06 5.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.494 ' O ' ' CG2' ' A' ' 60' ' ' VAL . . . -42.18 -28.45 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' GLY . 0.2 OUTLIER -79.21 -51.17 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' ILE . . . -35.28 -44.91 0.61 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.445 HG23 ' CG1' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -75.95 -51.52 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -43.49 -52.99 6.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 30' ' ' ILE . 1.6 mp -66.57 -32.64 58.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -56.3 -46.96 79.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.17 -38.19 25.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.9 -38.81 26.03 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -76.58 -1.86 29.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 0.78 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.582 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 6.5 t80 -97.74 -38.84 9.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.1 tp -46.92 -57.19 5.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.22 -31.68 71.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.338 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.08 -47.05 48.0 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.557 1.161 . . . . 0.0 111.051 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.27 -15.38 60.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.73 -18.48 12.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -34.39 78.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.458 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -117.44 118.11 35.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.38 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -2.0 11.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.88 12.77 36.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.391 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.458 ' HB2' ' CG ' ' A' ' 42' ' ' GLN . 7.5 mp -131.85 18.07 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.382 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.522 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.8 OUTLIER -76.08 -51.59 2.74 Favored Pre-proline 0 C--N 1.327 -0.386 0 O-C-N 124.4 1.062 . . . . 0.0 109.237 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.2 Cg_endo -74.95 0.51 8.8 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.488 1.783 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -100.1 -63.36 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.582 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -55.12 -26.86 41.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.416 ' N ' HD11 ' A' ' 49' ' ' LEU . 9.7 mtp180 -71.71 -53.98 11.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.4 m -53.86 -54.83 33.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.379 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.525 ' NE2' ' CE2' ' A' ' 35' ' ' PHE . 20.9 pt20 -57.44 -44.06 84.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.417 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 5.2 t80 -55.6 -52.34 64.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 111.049 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -46.16 -53.92 9.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.9 mp -58.95 -48.37 86.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.445 ' CG1' HG23 ' A' ' 28' ' ' ILE . 73.3 t -48.36 -48.4 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 9.4 tmm? -52.32 -46.43 66.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.53 -45.14 93.93 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.71 -32.57 73.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 0.809 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 25' ' ' ALA . 4.6 t -64.18 -38.08 81.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 65' ' ' MET . 1.0 OUTLIER -91.43 -1.68 57.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.287 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.83 -40.83 10.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.8 mt -52.26 -50.55 78.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.04 -52.64 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.801 . . . . 0.0 110.972 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.461 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 3.6 ttt -46.02 -39.26 8.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.05 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.6 mt -83.13 -28.46 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.38 -68.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.7 t -67.08 -24.99 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.595 1.185 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.97 -54.64 35.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.38 -57.63 9.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -41.0 -45.74 3.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.2 mt -64.06 -61.81 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -39.91 -45.35 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 38.3 t -60.71 -62.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.52 ' HG3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -40.16 -54.0 2.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 111.013 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -62.52 -48.56 79.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.072 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.89 -56.57 5.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.43 -34.72 49.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.105 . . . . 0.0 109.246 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 75' ' ' MET . . . . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 tt . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -46.49 -58.13 4.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.498 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 2.6 ttt -42.81 -47.52 5.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.14 -49.31 74.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.41 -72.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.94 -64.78 0.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 11' ' ' MET . 60.6 t -40.38 -53.96 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -51.93 -49.23 63.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.4 mtp -55.12 -48.61 73.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.426 ' O ' ' CG1' ' A' ' 22' ' ' ILE . . . -51.42 -37.0 39.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.919 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.7 mt -62.68 -69.71 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.441 0.73 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.33 -57.64 2.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.87 -62.23 1.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.426 ' CG1' ' O ' ' A' ' 18' ' ' GLY . 40.7 mt -44.07 -45.62 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.403 1.064 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.31 -67.56 1.58 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.448 1.092 . . . . 0.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -56.62 -59.25 5.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.746 . . . . 0.0 109.248 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.464 ' O ' ' CG1' ' A' ' 60' ' ' VAL . . . -41.46 -28.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.435 ' N ' ' C ' ' A' ' 24' ' ' ASP . 0.2 OUTLIER -79.07 -50.96 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.389 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -35.57 -44.49 0.65 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.4 ' CD1' ' HA ' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -76.04 -50.79 21.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.54 0.788 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.36 -52.73 8.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.03 -32.09 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.779 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.41 -45.89 87.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.413 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -50.59 -39.45 37.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.615 1.197 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.52 -43.51 36.74 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -69.45 -8.39 46.31 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.528 0.781 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 2.3 t80 -93.6 -31.75 14.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 111.053 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' ALA . 2.4 mt -55.33 -56.29 21.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.45 -44.04 68.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.27 -48.36 79.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.598 1.186 . . . . 0.0 111.067 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.467 ' CB ' ' HG ' ' A' ' 49' ' ' LEU . . . -78.49 -2.21 37.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . -66.93 -13.51 61.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -100.06 -2.19 34.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.4 ' CB ' ' HB2' ' A' ' 45' ' ' LEU . 23.4 mm-40 -114.94 102.33 54.81 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.18 9.66 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.441 1.759 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.06 13.13 12.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.4 ' HB2' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -132.69 11.58 4.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.199 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.496 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.7 OUTLIER -76.29 -52.62 2.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.2 Cg_endo -75.01 -2.86 13.1 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.498 1.788 . . . . 0.0 111.031 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.42 -64.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.556 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -57.22 -26.58 60.95 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.499 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 5.5 ttm-85 -74.82 -66.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.1 m -44.1 -41.27 5.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -50.18 58.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.413 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 12.9 t80 -50.53 -43.96 56.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -57.39 -54.4 47.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.8 mt -62.35 -30.26 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.47 ' HA ' ' CD2' ' A' ' 59' ' ' LEU . 38.7 t -69.9 -36.75 70.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.4 ' O ' ' OD1' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -59.4 -47.8 84.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 111.004 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.6 -63.38 4.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.429 1.081 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.47 ' CD2' ' HA ' ' A' ' 56' ' ' VAL . 1.0 OUTLIER -47.34 -44.34 23.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.464 ' CG1' ' O ' ' A' ' 25' ' ' ALA . 2.4 t -56.29 -47.2 81.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.355 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.419 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 5.8 m120 -75.01 -2.93 29.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.408 ' O ' ' CG1' ' A' ' 66' ' ' ILE . . . -90.26 -26.17 20.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.468 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -58.06 -54.55 54.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.06 -47.19 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.494 1.786 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -38.45 59.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.136 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.408 ' CG1' ' O ' ' A' ' 62' ' ' ALA . 69.8 mt -82.88 -27.9 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.59 -64.08 0.94 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 71' ' ' GLY . 7.6 t -56.97 -58.77 4.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.432 ' O ' ' CB ' ' A' ' 73' ' ' TYR . . . -38.14 -41.57 1.05 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.9 mt -66.18 -51.71 55.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.786 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -56.41 -54.45 35.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.413 HD11 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -59.83 -41.92 92.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.62 0.835 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.432 ' CB ' ' O ' ' A' ' 69' ' ' GLY . 9.5 t80 -57.75 -41.84 82.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.7 t -57.81 -45.46 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.8 ttp -58.2 -51.37 70.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -65.2 -32.34 73.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.43 -61.63 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.9 p -70.49 -18.37 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -37.7 -58.69 0.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.492 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 41.4 ttm -43.32 -51.23 6.43 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.73 -48.44 79.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.75 -74.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 15' ' ' VAL . . . -39.57 -65.19 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 11' ' ' MET . 58.2 t -40.05 -53.95 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.3 ttt -54.22 -45.05 72.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.4 mtp -62.69 -37.07 85.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.97 -67.64 1.94 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 pp -47.95 -47.31 32.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.236 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.09 -56.19 22.58 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.47 -62.9 1.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.4 mt -44.25 -43.02 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.565 1.166 . . . . 0.0 109.35 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.43 -66.19 2.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.571 1.169 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -57.72 -60.41 3.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 0.739 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.472 ' CB ' HG13 ' A' ' 60' ' ' VAL . . . -40.96 -30.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -78.17 -50.93 18.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 26' ' ' ILE . . . -34.03 -46.16 0.46 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.47 HG23 ' CG1' ' A' ' 56' ' ' VAL . 0.4 OUTLIER -75.31 -50.78 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.11 -53.85 7.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.61 1.194 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.5 mm -65.44 -31.05 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.48 0.753 . . . . 0.0 109.35 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -57.7 -49.08 77.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.448 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -52.62 -35.68 46.29 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.59 -41.72 42.7 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -73.24 -11.74 60.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.746 . . . . 0.0 109.322 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' ALA . 3.9 t80 -98.12 -32.34 11.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.8 tp -47.14 -40.27 15.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.13 -37.97 23.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.28 -0.3 61.38 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.433 1.083 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.475 ' CB ' ' HG ' ' A' ' 49' ' ' LEU . . . -114.76 -36.75 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 0.806 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.72 -24.68 1.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 39' ' ' ALA . 3.8 mtt180 -52.4 -35.24 51.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.6 118.0 29.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -1.09 10.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.415 1.745 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.36 10.74 40.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tp -142.03 15.99 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.474 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 1.0 OUTLIER -77.54 -53.82 1.51 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.229 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.2 Cg_endo -74.97 0.83 8.42 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -93.2 -65.39 1.0 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.433 1.083 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.511 ' CD2' ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -64.32 -35.13 79.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.48 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -60.61 -71.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.0 m -39.06 -42.6 0.92 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -56.91 15.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.448 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 25.8 t80 -44.52 -40.9 6.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -58.05 -60.43 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mt -57.27 -32.24 40.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.47 ' CG1' HG23 ' A' ' 28' ' ' ILE . 43.7 t -69.93 -30.92 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -63.0 -49.35 75.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.392 1.057 . . . . 0.0 111.055 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.01 -57.44 19.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.01 -45.11 79.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.472 HG13 ' CB ' ' A' ' 25' ' ' ALA . 3.2 t -53.83 -37.96 34.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.432 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER -82.04 -18.44 43.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.407 ' O ' ' CG1' ' A' ' 66' ' ' ILE . . . -86.28 -5.44 59.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.439 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.2 mt -73.45 -55.8 3.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.08 -39.14 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.559 1.821 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 ttt -59.0 -40.4 84.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.407 ' CG1' ' O ' ' A' ' 62' ' ' ALA . 89.9 mt -80.66 -28.23 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.371 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.65 -70.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.0 t -62.48 -31.71 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -53.19 -48.0 60.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -59.72 2.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 0.732 . . . . 0.0 109.236 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -39.75 -45.93 2.89 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.1 mt -67.71 -58.5 4.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.754 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -40.77 -43.5 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.72 -63.71 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.413 1.071 . . . . 0.0 109.277 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.06 -48.1 4.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -68.56 -34.88 76.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.89 -68.25 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.0 m -59.17 -33.63 51.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.943 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.507 0.194 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -97.17 -13.46 22.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -136.83 24.11 3.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tp -119.5 -43.66 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -84.57 -49.42 8.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.219 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.8 -43.48 4.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 111.072 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.17 -50.88 63.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.75 -68.17 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.57 1.169 . . . . 0.0 109.361 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.79 -59.15 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -44.6 -51.45 9.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.434 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 6.9 ttm -44.97 -48.87 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.65 -39.05 73.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.585 1.178 . . . . 0.0 109.349 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.95 -71.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.39 -62.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 11' ' ' MET . 64.6 t -41.76 -53.76 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -48.64 69.5 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 76.2 mtp -55.4 -52.11 64.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.452 ' O ' ' CG1' ' A' ' 22' ' ' ILE . . . -47.28 -40.36 14.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.387 1.054 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.29 -70.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 0.738 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.16 -61.56 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.3 -55.87 3.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.452 ' CG1' ' O ' ' A' ' 18' ' ' GLY . 27.2 mt -48.01 -47.68 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.79 -64.28 3.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' GLY . 15.8 t0 -55.65 -63.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.362 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.491 ' O ' ' CG1' ' A' ' 60' ' ' VAL . . . -40.55 -29.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' GLY . 0.2 OUTLIER -79.05 -50.95 17.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.74 -45.49 0.54 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.459 1.099 . . . . 0.0 111.02 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.464 HG21 ' CG1' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -75.55 -50.82 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 0.0 109.236 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -44.34 -51.58 7.58 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.3 mm -68.1 -31.18 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.733 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -58.08 -45.63 86.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.49 -35.68 29.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.89 -36.99 17.25 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -75.81 -2.61 30.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.5 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 2.4 t80 -94.01 -33.89 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.03 -60.83 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.24 -39.94 84.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.21 -58.68 12.76 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.409 1.068 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.474 ' HB2' ' CD2' ' A' ' 49' ' ' LEU . . . -61.52 -22.91 65.55 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.577 0.81 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.42 -24.43 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.235 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -59.41 -35.1 73.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.464 ' HG3' ' CD1' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -120.84 118.98 30.24 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.342 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.28 9.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.547 1.814 . . . . 0.0 110.985 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.96 11.85 38.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.464 ' CD1' ' HG3' ' A' ' 42' ' ' GLN . 3.6 mp -131.05 23.72 4.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.516 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.8 OUTLIER -76.08 -51.96 2.65 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.2 Cg_endo -74.95 -13.74 21.44 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.55 1.816 . . . . 0.0 110.996 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.42 -64.23 1.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.373 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.5 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -46.45 -35.31 5.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.414 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 10.1 ttp180 -71.33 -48.94 47.3 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 0.0 110.276 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.443 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 33.7 m -57.12 -56.83 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -38.22 73.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -60.75 -63.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.455 ' O ' ' CB ' ' A' ' 57' ' ' MET . 2.4 t80 -37.79 -56.63 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 111.04 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.443 ' CD1' ' O ' ' A' ' 51' ' ' THR . 3.3 mt -53.11 -51.57 37.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.496 ' O ' ' CG2' ' A' ' 60' ' ' VAL . 89.2 t -55.07 -28.93 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.383 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.455 ' CB ' ' O ' ' A' ' 54' ' ' PHE . 1.0 OUTLIER -61.05 -58.81 6.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.92 -46.4 89.51 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 tt -57.62 -38.29 74.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 56' ' ' VAL . 2.6 t -62.26 -39.77 85.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.401 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 1.1 m-80 -82.94 -5.36 59.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.495 ' O ' ' CG1' ' A' ' 66' ' ' ILE . . . -90.56 -23.03 20.99 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.459 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 0.6 OUTLIER -61.85 -54.67 48.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.99 -46.05 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.791 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.401 ' SD ' ' C ' ' A' ' 65' ' ' MET . 0.3 OUTLIER -53.31 -40.41 64.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 62' ' ' ALA . 50.0 mt -79.9 -29.04 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.56 -71.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.249 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.5 t -63.95 -27.95 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.02 -57.5 18.03 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.547 1.154 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -56.25 22.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.624 0.838 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -42.34 -49.69 5.6 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.72 -66.1 0.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 0.723 . . . . 0.0 109.216 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -37.99 -41.93 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 111.021 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.81 -55.19 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.36 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 8.2 tmm? -49.18 -51.11 34.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -68.01 -15.64 63.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.91 -55.62 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.6 p -95.99 14.16 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.481 0.181 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.31 -17.77 29.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -85.64 -3.29 58.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.48 -41.36 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -62.41 -28.09 69.54 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.4 ptp -57.72 -16.96 12.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -83.95 -52.17 6.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.25 -48.03 54.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.41 -64.38 0.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.518 ' CE2' ' HB2' ' A' ' 75' ' ' MET . 2.5 t80 -37.93 -33.32 0.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.168 . . . . 0.0 110.988 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.412 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 2.7 ttm -69.19 -55.57 10.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.9 77.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.03 -71.49 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.37 -62.36 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.24 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' A' ' 11' ' ' MET . 47.7 t -40.42 -46.41 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -49.59 76.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.496 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 47.2 mtt -58.84 -31.89 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.67 -63.14 4.25 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 pp -56.03 -58.81 6.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.56 -61.91 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.217 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -44.21 -56.39 4.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 109.327 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.7 mt -48.11 -46.84 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.32 -65.39 2.57 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 27' ' ' GLY . 8.3 t0 -56.27 -61.35 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.5 ' O ' ' CG2' ' A' ' 60' ' ' VAL . . . -40.89 -29.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.449 ' N ' ' C ' ' A' ' 24' ' ' ASP . 0.2 OUTLIER -79.23 -50.91 17.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.76 -45.35 0.53 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.456 1.098 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.457 ' CG2' HG11 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -75.62 -50.59 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -44.91 -51.53 8.3 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 mp -67.89 -31.12 50.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -59.23 -43.57 92.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.91 -31.6 55.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.06 -43.36 8.81 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.53 -9.9 46.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.433 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 2.3 t80 -92.45 -31.69 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.442 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 4.7 tp -42.33 -60.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.24 -36.91 82.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.79 -34.63 78.46 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.64 -12.45 23.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.612 0.83 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.85 -28.71 67.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.68 -0.75 57.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.405 ' CB ' ' HB2' ' A' ' 45' ' ' LEU . 7.9 mm100 -114.79 104.39 54.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 0.73 8.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.539 1.81 . . . . 0.0 110.97 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.77 13.14 9.92 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.405 ' HB2' ' CB ' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -131.41 15.32 5.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.512 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.7 OUTLIER -72.32 -51.79 7.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.1 Cg_endo -75.01 -1.03 10.69 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.3 mt -99.55 -51.02 3.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.442 ' CD2' ' HA ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -53.92 -50.26 66.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.419 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -58.56 -66.01 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.8 m -38.64 -47.38 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.399 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -54.82 40.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.365 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -44.59 -59.75 2.32 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -43.21 -51.54 6.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 110.962 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.0 mt -62.44 -39.57 84.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.462 1.101 . . . . 0.0 109.242 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.457 HG11 ' CG2' ' A' ' 28' ' ' ILE . 52.0 t -58.92 -66.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 mtt -42.58 -31.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 62' ' ' ALA . . . -74.88 -41.5 33.22 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -78.72 -7.27 57.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.539 0.787 . . . . 0.0 109.272 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 25' ' ' ALA . 62.5 t -88.05 -38.23 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.476 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER -94.17 -10.45 33.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 58' ' ' GLY . . . -92.87 -39.63 11.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.56 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mt -49.77 -49.19 74.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.05 -53.52 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.559 1.821 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.429 ' HB2' ' O ' ' A' ' 61' ' ' ASN . 2.8 mtm -42.41 -47.09 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.043 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.2 mt -75.54 -30.82 22.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.439 1.087 . . . . 0.0 109.276 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 64' ' ' PRO . . . -61.86 -71.07 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.113 . . . . 0.0 109.36 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.0 t -66.57 -27.66 40.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.35 -61.18 7.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.12 -52.04 67.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.751 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -46.87 -45.23 18.92 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.554 1.159 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 75' ' ' MET . 1.9 mt -65.05 -60.52 2.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.764 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -40.37 -44.89 2.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.3 -44.12 98.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.518 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 4.4 ttt -59.47 -40.23 86.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -80.62 -12.97 59.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.88 -47.48 45.57 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.0 p -72.77 -31.48 36.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.153 . . . . 0.0 109.36 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.479 0.18 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -103.23 -9.67 19.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -138.76 23.76 2.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.98 -46.32 2.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.44 -43.64 3.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -51.05 22.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.58 -48.02 57.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.394 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.6 -53.94 44.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.86 -51.4 56.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.268 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 13' ' ' ALA . 1.9 m-30 -52.3 -50.23 62.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 111.077 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.493 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 21.6 ttt -45.82 -52.52 11.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.77 -24.62 66.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . -76.23 -72.3 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.58 -54.29 9.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.232 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 11' ' ' MET . 79.5 t -47.69 -48.21 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.6 mtp -59.4 -55.95 28.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.6 mtp -51.64 -36.4 45.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 19' ' ' LEU . . . -66.36 -73.93 0.58 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' GLY . 0.7 OUTLIER -39.72 -53.86 2.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 0.797 . . . . 0.0 109.256 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.21 -55.77 18.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.24 -62.69 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.5 mt -43.21 -45.45 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.02 -63.86 3.95 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.48 1.112 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.433 ' C ' ' N ' ' A' ' 26' ' ' ILE . 3.5 t70 -58.84 -60.99 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.471 ' CB ' HG12 ' A' ' 60' ' ' VAL . . . -41.27 -29.2 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.433 ' N ' ' C ' ' A' ' 24' ' ' ASP . 0.3 OUTLIER -77.56 -51.91 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.628 1.205 . . . . 0.0 109.263 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -35.01 -46.32 0.64 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.56 1.163 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.409 ' CD1' ' HA ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -73.92 -52.22 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.451 0.736 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -43.86 -53.61 6.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.118 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.0 mm -65.75 -29.67 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.382 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' ILE . 0.6 OUTLIER -59.68 -48.15 82.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.225 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.527 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -50.58 -37.63 33.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.68 -41.14 35.86 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -8.26 54.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -98.1 -33.17 11.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.5 tp -52.91 -46.45 68.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 1.2 tt0 -66.36 -42.4 88.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.254 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.09 -62.64 5.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.02 -16.09 28.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 37' ' ' GLU . . . -53.05 -23.85 8.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.422 ' HB3' ' NE2' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -60.19 -35.12 74.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.222 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.471 ' HG3' ' CD1' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -120.1 118.3 31.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 0.37 9.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.42 11.13 39.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' A' ' 42' ' ' GLN . 6.3 mp -136.94 12.07 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.497 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 1.1 mt -77.66 -53.08 1.58 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.4 Cg_endo -75.05 0.72 8.59 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.549 1.815 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.4 mp -95.57 -61.39 1.47 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.498 ' CD2' ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -67.49 -32.99 74.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 109.376 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.471 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 1.2 ttm-85 -60.19 -66.74 0.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 110.312 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.9 m -46.13 -37.73 7.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.384 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -52.89 62.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.363 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.527 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 28.3 t80 -48.94 -35.32 14.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -62.55 -58.33 7.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mt -59.21 -34.76 54.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.462 ' HA ' ' CD2' ' A' ' 59' ' ' LEU . 23.3 t -69.33 -32.41 53.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -52.62 64.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.442 1.089 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.71 -63.07 5.61 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.57 1.169 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -48.45 -44.56 35.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 0.782 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.471 HG12 ' CB ' ' A' ' 25' ' ' ALA . 2.7 t -56.89 -42.74 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.447 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 1.2 m-80 -78.31 -2.71 39.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.26 -25.34 19.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.498 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -58.58 -52.88 71.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.367 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.98 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -46.89 -43.26 18.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.7 mt -79.71 -29.34 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.99 -69.57 0.27 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.613 1.196 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.6 t -67.63 -31.48 52.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.51 -57.09 6.79 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.453 1.095 . . . . 0.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -69.67 -56.67 6.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.425 0.721 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -38.34 -39.04 0.69 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.89 -64.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -37.49 -40.97 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.7 t -68.65 -62.51 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -48.35 -22.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.95 -30.65 14.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.04 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.36 -52.17 55.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.5 p -59.99 -47.37 92.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.54 0.21 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -131.69 9.19 4.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -155.51 32.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.355 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.8 tp -139.49 -62.63 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -81.87 -40.43 22.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.3 mtp -50.27 -54.01 24.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.424 1.078 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -40.35 -45.84 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.69 -65.5 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.28 -63.68 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -37.64 -52.22 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.5 ttp -51.45 -61.19 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.31 -42.41 52.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 14' ' ' ALA . . . -60.67 -78.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -39.15 -62.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.8 t -40.21 -54.48 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.6 mmm -56.17 -46.03 79.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.2 mtt -57.97 -60.49 3.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.461 1.1 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.401 ' O ' ' CG1' ' A' ' 22' ' ' ILE . . . -47.28 -42.38 17.65 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.143 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.07 -69.86 0.23 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 0.773 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.83 -63.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.8 -58.35 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.356 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.401 ' CG1' ' O ' ' A' ' 18' ' ' GLY . 28.8 mt -45.11 -49.19 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.37 -63.72 3.54 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.2 OUTLIER -55.47 -63.41 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.44 ' O ' ' CG1' ' A' ' 60' ' ' VAL . . . -40.53 -29.65 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.371 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.447 ' N ' ' C ' ' A' ' 24' ' ' ASP . 0.2 OUTLIER -78.64 -51.15 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.335 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.88 -45.68 0.57 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -75.2 -49.59 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.567 0.804 . . . . 0.0 109.215 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' ILE . . . -45.28 -50.96 9.49 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.485 1.116 . . . . 0.0 111.042 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mm -68.7 -30.13 46.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.421 0.718 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.57 -40.05 95.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.565 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -55.18 -36.36 61.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.44 1.088 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -78.89 -40.5 17.03 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -68.44 -9.31 47.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 0.765 . . . . 0.0 109.373 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.571 ' CD2' HD13 ' A' ' 49' ' ' LEU . 1.4 t80 -94.55 -31.17 14.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.1 mt -53.6 -47.95 69.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 109.309 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.01 -38.52 86.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.02 -54.85 30.16 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.12 -16.8 64.26 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 0.749 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.45 -20.92 5.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.48 -27.14 60.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.418 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -116.95 110.68 41.49 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.95 0.3 9.05 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.543 1.812 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.25 12.8 23.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.418 ' HB2' ' CG ' ' A' ' 42' ' ' GLN . 3.3 mp -133.56 10.08 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.512 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.6 OUTLIER -76.42 -52.4 2.3 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.3 Cg_endo -74.95 0.22 9.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 mp -99.14 -56.14 2.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.571 HD13 ' CD2' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -60.83 -39.43 89.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.09 -62.25 1.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.132 . . . . 0.0 110.252 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.4 m -38.73 -57.12 1.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.376 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -56.18 -60.52 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.252 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.565 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 7.4 t80 -40.76 -41.6 1.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -57.02 -60.79 3.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 111.046 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.2 mt -56.73 -34.8 43.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.56 -50.51 80.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.7 ttt -50.27 -39.31 44.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 111.011 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 61' ' ' ASN . . . -63.48 -69.95 1.18 Allowed Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.427 1.08 . . . . 0.0 110.948 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 pp -44.38 -43.91 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 0.807 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.44 ' CG1' ' O ' ' A' ' 25' ' ' ALA . 2.7 t -52.21 -40.98 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' GLY . 3.9 m120 -81.73 -19.53 41.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.439 ' O ' ' CG1' ' A' ' 66' ' ' ILE . . . -86.1 -1.97 57.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.245 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -77.18 -56.08 1.28 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.437 ' N ' HG23 ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.97 -39.05 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.805 . . . . 0.0 111.065 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.4 ttt -59.53 -46.55 88.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.439 ' CG1' ' O ' ' A' ' 62' ' ' ALA . 69.0 mt -75.03 -29.02 21.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.04 -72.55 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.72 -33.65 55.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.13 -50.33 55.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.7 -62.26 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.747 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -41.16 -47.02 4.32 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.516 1.135 . . . . 0.0 111.05 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 75' ' ' MET . 2.0 mt -63.64 -63.32 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 72' ' ' LEU . 1.9 t80 -37.91 -41.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.8 t -66.71 -50.45 65.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -55.7 -54.85 39.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.931 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.19 -44.39 97.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.6 -69.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.2 p -59.78 -36.71 67.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ttt . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.477 0.18 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 4.2 tt0 64.41 11.99 6.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.74 25.3 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 tp -112.37 -48.84 2.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 8' ' ' LEU . 2.2 t30 -106.01 -64.48 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.16 -52.5 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -42.24 -41.72 2.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 5' ' ' ASN . 0.6 OUTLIER -62.14 -69.4 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.54 -63.45 0.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.356 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.488 ' CD2' ' SD ' ' A' ' 75' ' ' MET . 48.6 t80 -37.86 -54.2 1.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.497 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 8.1 ttt -45.74 -51.09 13.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.0 -48.65 75.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.7 -73.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.78 -63.84 0.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 11' ' ' MET . 54.9 t -40.17 -54.16 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -47.98 64.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.6 mtt -57.54 -42.41 82.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.155 . . . . 0.0 111.027 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.401 ' O ' ' CD1' ' A' ' 22' ' ' ILE . . . -55.16 -40.51 75.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.7 -68.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 0.724 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.18 -62.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.31 -53.85 3.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.061 . . . . 0.0 109.233 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.401 ' CD1' ' O ' ' A' ' 18' ' ' GLY . 10.6 mt -48.84 -49.41 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.9 -64.64 2.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 27' ' ' GLY . 4.4 t70 -55.0 -63.55 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.493 ' O ' ' CG2' ' A' ' 60' ' ' VAL . . . -40.0 -29.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.364 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.45 ' N ' ' C ' ' A' ' 24' ' ' ASP . 0.1 OUTLIER -78.89 -52.04 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.08 . . . . 0.0 109.288 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.65 -44.07 0.43 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.464 ' CG2' HG13 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -75.53 -48.75 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 0.764 . . . . 0.0 109.282 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 26' ' ' ILE . . . -49.29 -48.44 33.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.421 ' CD1' HG21 ' A' ' 26' ' ' ILE . 1.7 mp -67.81 -31.93 54.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -58.46 -56.94 15.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.409 ' N ' ' HG ' ' A' ' 31' ' ' LEU . . . -46.2 -29.44 3.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.566 1.166 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.78 -38.18 8.91 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.46 -2.04 30.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 0.797 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -94.84 -27.54 15.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 tp -56.96 -31.95 65.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.379 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.82 -29.12 16.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.75 -52.84 8.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.465 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . . . -79.46 1.19 26.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.87 -18.68 63.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -79.36 -17.51 54.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -114.71 113.26 44.95 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 110.305 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 0.25 9.08 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.48 13.19 24.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.411 ' N ' HD22 ' A' ' 45' ' ' LEU . 2.3 mm? -120.9 17.68 11.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.497 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.6 OUTLIER -76.25 -52.46 2.41 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.4 Cg_endo -75.03 -1.01 10.67 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.8 mt -107.53 -65.72 1.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -45.86 -45.09 14.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -59.16 -70.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.7 m -38.87 -47.78 1.47 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.375 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 53' ' ' PHE . 15.1 mt-30 -52.45 -62.43 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 52' ' ' GLN . 9.5 t80 -37.79 -63.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -37.47 -55.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.3 mt -59.41 -52.37 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.604 1.19 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.464 HG13 ' CG2' ' A' ' 28' ' ' ILE . 24.4 t -45.12 -61.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -36.49 4.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.33 -53.93 19.06 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.12 -17.36 63.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 109.235 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 25' ' ' ALA . 5.5 t -73.47 -42.63 56.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.457 ' O ' ' CB ' ' A' ' 65' ' ' MET . 1.0 OUTLIER -90.74 -2.07 57.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.68 -34.12 14.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.504 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -56.8 -52.07 76.59 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.98 -48.74 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.457 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 12.1 ttt -49.24 -43.29 42.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 14.8 mt -78.59 -28.87 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.4 -70.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.56 -28.27 43.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.12 -51.53 55.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.438 1.086 . . . . 0.0 111.055 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.32 -56.33 13.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 0.75 . . . . 0.0 109.324 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -43.39 -47.58 6.95 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.5 mt -63.56 -61.98 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 0.779 . . . . 0.0 109.353 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -38.41 -42.73 0.76 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.54 -61.63 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.488 ' SD ' ' CD2' ' A' ' 10' ' ' TYR . 4.2 tpt -44.0 -50.97 8.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -65.6 -43.23 90.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.67 -69.11 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.49 -31.32 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mtt . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.494 0.188 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -139.47 13.22 2.56 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.0 42.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -164.77 -45.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -67.57 -38.58 84.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.2 -17.77 28.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -77.41 -41.57 39.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.56 -59.03 4.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 tt -47.74 -56.85 6.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -47.99 -60.71 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.499 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 2.5 ttp -49.49 -41.5 40.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.16 -52.47 65.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 109.314 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.81 -66.62 0.51 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 17' ' ' MET . . . -40.15 -67.35 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 11' ' ' MET . 78.3 t -40.38 -48.54 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -44.25 78.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.482 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 33.2 mtp -65.25 -32.8 74.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.94 -64.85 3.6 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.48 -68.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 0.722 . . . . 0.0 109.225 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.1 -61.24 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -42.87 -63.79 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.4 mt -43.99 -43.64 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.4 ' O ' ' HB ' ' A' ' 26' ' ' ILE . . . -49.24 -67.49 1.72 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -58.73 -58.85 6.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -40.9 -29.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -78.43 -50.85 18.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.363 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.38 -46.31 0.53 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.457 1.098 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.471 HG21 ' CG1' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -76.11 -47.7 30.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.489 0.758 . . . . 0.0 109.34 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 26' ' ' ILE . . . -47.11 -54.06 10.19 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 23.8 mm -65.52 -31.44 53.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -58.05 -46.42 85.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.57 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -50.74 -37.76 35.29 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.55 -41.95 28.34 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -71.95 -6.2 40.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.58 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 1.4 t80 -90.83 -30.11 17.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.996 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -53.62 -50.39 65.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.65 -42.76 98.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.415 1.072 . . . . 0.0 110.228 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.53 -42.9 97.89 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.472 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . . . -88.18 12.73 12.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 0.739 . . . . 0.0 109.207 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.23 -14.16 41.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.26 -32.95 59.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.454 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -126.32 121.79 23.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.375 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.11 0.83 8.47 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.809 . . . . 0.0 110.934 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.6 8.76 41.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.51 10.26 4.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.484 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 1.1 mt -76.09 -52.76 2.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.1 Cg_endo -75.0 0.05 9.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.476 1.777 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -101.1 -54.46 2.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.58 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -67.74 -34.08 76.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.405 ' N ' HD22 ' A' ' 49' ' ' LEU . 17.1 ttm-85 -57.91 -71.31 0.11 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.8 m -40.13 -51.98 2.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.37 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' PHE . 8.8 mt-30 -51.82 -62.93 1.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 10.2 t80 -37.49 -62.68 0.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -37.48 -59.35 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.2 mt -57.07 -49.66 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.229 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.471 ' CG1' HG21 ' A' ' 28' ' ' ILE . 59.9 t -47.33 -44.7 9.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.1 ttt -54.5 -49.08 71.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 111.048 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.99 -46.77 93.38 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.9 tt -61.73 -33.39 73.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 0.736 . . . . 0.0 109.251 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.7 t -62.67 -39.78 85.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.408 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -85.88 -5.39 59.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.92 -19.4 23.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.371 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.471 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.2 mt -67.0 -54.35 20.93 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.5 Cg_endo -75.0 -39.77 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.414 1.744 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.4 -39.04 82.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.8 mt -80.56 -28.99 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.24 -71.12 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.7 t -61.61 -28.58 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.03 -58.99 11.7 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.46 -54.65 43.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -48.03 -43.88 25.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 75' ' ' MET . 3.1 mt -64.23 -64.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -38.8 -44.78 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.58 -49.64 82.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 72' ' ' LEU . 3.2 tmm? -54.65 -58.56 7.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -54.25 -47.02 72.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -47.44 -70.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.1 m -57.77 -45.59 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtm . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.558 0.218 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -84.97 -5.59 59.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -157.1 25.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.075 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 mp -122.97 -48.44 2.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.03 -36.28 6.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -46.43 75.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -42.94 -45.76 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tt -57.86 -63.91 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.587 1.179 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -45.99 -64.56 0.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.365 1.041 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.478 ' CE2' ' HG3' ' A' ' 75' ' ' MET . 31.1 t80 -38.12 -57.36 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 20.1 ttp -45.5 -49.79 13.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.12 -35.39 69.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.93 -71.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.78 -62.53 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 67.6 t -41.9 -53.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -41.79 74.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.598 1.186 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.0 mtt -64.49 -63.31 1.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.496 ' O ' ' CD1' ' A' ' 22' ' ' ILE . . . -42.5 -42.55 4.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.0 mp -58.48 -70.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.91 -60.01 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.29 -54.49 3.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 109.356 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 18' ' ' GLY . 18.0 mt -51.26 -45.47 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.97 -64.61 3.16 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.443 ' C ' ' N ' ' A' ' 26' ' ' ILE . 2.9 t70 -55.95 -61.42 2.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.503 ' O ' ' CG2' ' A' ' 60' ' ' VAL . . . -41.6 -28.54 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.153 . . . . 0.0 109.233 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.443 ' N ' ' C ' ' A' ' 24' ' ' ASP . 0.1 OUTLIER -79.32 -50.73 17.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -35.7 -44.57 0.69 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.55 1.156 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.469 HG23 ' CG1' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -76.17 -49.71 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.407 ' N ' HG21 ' A' ' 60' ' ' VAL . . . -45.19 -50.34 9.57 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.7 mp -69.0 -31.92 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 109.293 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 27' ' ' GLY . 0.4 OUTLIER -61.32 -38.97 88.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.27 -37.87 55.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 111.065 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.26 -32.64 22.35 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.49 -1.88 29.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' LEU . 2.0 t80 -91.45 -32.14 15.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.447 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -39.5 -33.67 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -101.22 -44.7 5.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.3 -24.04 14.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.448 ' HB1' ' CD1' ' A' ' 49' ' ' LEU . . . -95.99 -24.8 16.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 0.796 . . . . 0.0 109.277 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.39 -29.0 9.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.248 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -35.21 44.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.49 124.35 26.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.469 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 18.4 Cg_endo -75.03 -1.12 10.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.465 1.771 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.94 14.47 28.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.411 1.069 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.71 25.06 5.7 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.511 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 1.2 mp -75.07 -51.93 3.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.5 Cg_endo -74.98 -18.56 18.68 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.6 mt -85.41 -27.58 25.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.348 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.448 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -52.92 -71.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 51' ' ' THR . 2.3 mtm180 -50.83 -59.39 4.16 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.5 1.125 . . . . 0.0 110.191 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' ARG . 19.4 m -38.03 -46.54 1.01 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.575 1.172 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.52 -54.5 38.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 54' ' ' PHE . 28.5 t80 -48.9 -64.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -37.2 -56.51 0.93 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.434 1.083 . . . . 0.0 111.012 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.3 mt -56.79 -50.52 74.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.469 ' CG1' HG23 ' A' ' 28' ' ' ILE . 17.4 t -50.62 -66.25 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.22 -29.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.81 -43.74 21.97 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -77.62 -8.54 58.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 25' ' ' ALA . 55.8 t -85.45 -40.65 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.493 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER -90.25 -16.61 29.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 109.351 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -86.72 -43.8 12.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.503 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -39.31 -52.58 4.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.581 1.176 . . . . 0.0 109.321 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.06 -39.44 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.563 1.823 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.7 tpt -49.56 -55.28 14.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.7 mt -70.33 -30.88 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.05 -71.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.1 t -63.36 -29.36 47.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.77 -53.16 41.11 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.05 -55.55 21.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.781 . . . . 0.0 109.356 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.59 -43.68 7.98 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 75' ' ' MET . 2.4 mt -66.82 -63.41 1.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.753 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -37.78 -41.12 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.1 t -67.83 -50.34 60.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.478 ' HG3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -56.48 -57.74 11.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 111.038 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.412 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 79.3 t80 -57.55 -51.35 69.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.6 -65.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.6 p -62.77 -39.88 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 tpp . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.477 0.18 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -79.36 -22.47 44.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -87.72 -2.67 58.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.55 -41.59 4.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -42.51 -34.95 0.93 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.616 1.197 . . . . 0.0 109.281 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.409 ' C ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.94 -69.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 11' ' ' MET . 0.8 OUTLIER -49.52 -23.16 1.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.409 ' N ' ' C ' ' A' ' 6' ' ' MET . 1.0 OUTLIER -58.92 -59.41 5.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.29 -48.19 24.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.52 ' CE2' ' HG3' ' A' ' 75' ' ' MET . 0.0 OUTLIER -50.16 -34.44 22.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.402 1.064 . . . . 0.0 111.033 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.512 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 35.5 ttm -70.75 -56.74 5.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.0 -21.62 3.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.47 -79.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.15 -52.16 7.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.5 t -46.34 -54.44 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.406 1.066 . . . . 0.0 109.364 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.0 mtt -52.99 -43.71 66.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.409 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 17.8 mtp -62.23 -44.77 95.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.399 1.062 . . . . 0.0 111.009 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.465 ' O ' ' CG1' ' A' ' 22' ' ' ILE . . . -60.23 -43.23 98.69 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mp -62.9 -68.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 0.802 . . . . 0.0 109.264 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' GLY . . . -46.28 -61.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -44.75 -54.74 5.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.465 ' CG1' ' O ' ' A' ' 18' ' ' GLY . 34.7 mt -51.61 -37.34 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' ALA . . . -56.97 -63.87 4.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -57.69 -59.06 5.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.494 ' O ' ' CG2' ' A' ' 60' ' ' VAL . . . -42.18 -28.45 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' GLY . 0.2 OUTLIER -79.21 -51.17 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' ILE . . . -35.28 -44.91 0.61 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.445 HG23 ' CG1' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -75.95 -51.52 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -43.49 -52.99 6.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 30' ' ' ILE . 1.6 mp -66.57 -32.64 58.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -56.3 -46.96 79.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.17 -38.19 25.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.9 -38.81 26.03 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -76.58 -1.86 29.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 0.78 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.582 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 6.5 t80 -97.74 -38.84 9.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.1 tp -46.92 -57.19 5.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.22 -31.68 71.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.338 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.08 -47.05 48.0 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.557 1.161 . . . . 0.0 111.051 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.27 -15.38 60.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.73 -18.48 12.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -34.39 78.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.458 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -117.44 118.11 35.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.38 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -2.0 11.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.88 12.77 36.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.391 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.458 ' HB2' ' CG ' ' A' ' 42' ' ' GLN . 7.5 mp -131.85 18.07 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.382 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.522 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.8 OUTLIER -76.08 -51.59 2.74 Favored Pre-proline 0 C--N 1.327 -0.386 0 O-C-N 124.4 1.062 . . . . 0.0 109.237 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.2 Cg_endo -74.95 0.51 8.8 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.488 1.783 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -100.1 -63.36 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.582 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -55.12 -26.86 41.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.416 ' N ' HD11 ' A' ' 49' ' ' LEU . 9.7 mtp180 -71.71 -53.98 11.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.4 m -53.86 -54.83 33.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.379 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.525 ' NE2' ' CE2' ' A' ' 35' ' ' PHE . 20.9 pt20 -57.44 -44.06 84.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.417 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 5.2 t80 -55.6 -52.34 64.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 111.049 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -46.16 -53.92 9.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.9 mp -58.95 -48.37 86.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.445 ' CG1' HG23 ' A' ' 28' ' ' ILE . 73.3 t -48.36 -48.4 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 9.4 tmm? -52.32 -46.43 66.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.53 -45.14 93.93 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.71 -32.57 73.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 0.809 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 25' ' ' ALA . 4.6 t -64.18 -38.08 81.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 65' ' ' MET . 1.0 OUTLIER -91.43 -1.68 57.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.287 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.83 -40.83 10.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.8 mt -52.26 -50.55 78.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.04 -52.64 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.801 . . . . 0.0 110.972 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.461 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 3.6 ttt -46.02 -39.26 8.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.05 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.6 mt -83.13 -28.46 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.38 -68.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.7 t -67.08 -24.99 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.595 1.185 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.97 -54.64 35.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.38 -57.63 9.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -41.0 -45.74 3.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.2 mt -64.06 -61.81 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -39.91 -45.35 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 38.3 t -60.71 -62.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.52 ' HG3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -40.16 -54.0 2.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 111.013 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -62.52 -48.56 79.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.072 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.89 -56.57 5.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.43 -34.72 49.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.105 . . . . 0.0 109.246 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 75' ' ' MET . . . . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mtt . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.572 0.225 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -133.54 10.83 4.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.319 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -163.12 30.28 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.424 1.078 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.57 -57.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -84.56 -44.79 13.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.83 -62.76 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -50.34 -46.1 55.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.53 -71.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 tt -40.72 -52.46 2.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -46.49 -58.13 4.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.498 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 2.6 ttt -42.81 -47.52 5.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.14 -49.31 74.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.41 -72.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.94 -64.78 0.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 11' ' ' MET . 60.6 t -40.38 -53.96 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -51.93 -49.23 63.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.4 mtp -55.12 -48.61 73.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.426 ' O ' ' CG1' ' A' ' 22' ' ' ILE . . . -51.42 -37.0 39.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.919 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.7 mt -62.68 -69.71 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.441 0.73 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.33 -57.64 2.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.87 -62.23 1.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.426 ' CG1' ' O ' ' A' ' 18' ' ' GLY . 40.7 mt -44.07 -45.62 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.403 1.064 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.31 -67.56 1.58 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.448 1.092 . . . . 0.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -56.62 -59.25 5.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.746 . . . . 0.0 109.248 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.464 ' O ' ' CG1' ' A' ' 60' ' ' VAL . . . -41.46 -28.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.435 ' N ' ' C ' ' A' ' 24' ' ' ASP . 0.2 OUTLIER -79.07 -50.96 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.389 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -35.57 -44.49 0.65 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.4 ' CD1' ' HA ' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -76.04 -50.79 21.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.54 0.788 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.36 -52.73 8.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.03 -32.09 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.779 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.41 -45.89 87.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.413 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -50.59 -39.45 37.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.615 1.197 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.52 -43.51 36.74 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -69.45 -8.39 46.31 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.528 0.781 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 2.3 t80 -93.6 -31.75 14.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 111.053 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' ALA . 2.4 mt -55.33 -56.29 21.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.45 -44.04 68.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.27 -48.36 79.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.598 1.186 . . . . 0.0 111.067 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.467 ' CB ' ' HG ' ' A' ' 49' ' ' LEU . . . -78.49 -2.21 37.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . -66.93 -13.51 61.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -100.06 -2.19 34.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.4 ' CB ' ' HB2' ' A' ' 45' ' ' LEU . 23.4 mm-40 -114.94 102.33 54.81 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.18 9.66 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.441 1.759 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.06 13.13 12.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.4 ' HB2' ' CB ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -132.69 11.58 4.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.199 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.496 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.7 OUTLIER -76.29 -52.62 2.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.2 Cg_endo -75.01 -2.86 13.1 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.498 1.788 . . . . 0.0 111.031 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.42 -64.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.556 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -57.22 -26.58 60.95 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.499 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 5.5 ttm-85 -74.82 -66.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.1 m -44.1 -41.27 5.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -50.18 58.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.413 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 12.9 t80 -50.53 -43.96 56.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -57.39 -54.4 47.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.8 mt -62.35 -30.26 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.47 ' HA ' ' CD2' ' A' ' 59' ' ' LEU . 38.7 t -69.9 -36.75 70.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.4 ' O ' ' OD1' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -59.4 -47.8 84.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 111.004 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.6 -63.38 4.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.429 1.081 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.47 ' CD2' ' HA ' ' A' ' 56' ' ' VAL . 1.0 OUTLIER -47.34 -44.34 23.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.464 ' CG1' ' O ' ' A' ' 25' ' ' ALA . 2.4 t -56.29 -47.2 81.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.355 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.419 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 5.8 m120 -75.01 -2.93 29.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.408 ' O ' ' CG1' ' A' ' 66' ' ' ILE . . . -90.26 -26.17 20.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.468 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -58.06 -54.55 54.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.06 -47.19 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.494 1.786 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -38.45 59.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.136 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.408 ' CG1' ' O ' ' A' ' 62' ' ' ALA . 69.8 mt -82.88 -27.9 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.59 -64.08 0.94 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 71' ' ' GLY . 7.6 t -56.97 -58.77 4.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.432 ' O ' ' CB ' ' A' ' 73' ' ' TYR . . . -38.14 -41.57 1.05 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.9 mt -66.18 -51.71 55.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.786 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -56.41 -54.45 35.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.413 HD11 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -59.83 -41.92 92.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.62 0.835 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.432 ' CB ' ' O ' ' A' ' 69' ' ' GLY . 9.5 t80 -57.75 -41.84 82.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.7 t -57.81 -45.46 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.8 ttp -58.2 -51.37 70.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -65.2 -32.34 73.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.43 -61.63 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.9 p -70.49 -18.37 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 mpp? . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.509 0.195 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -114.58 -4.8 12.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -138.68 15.45 2.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.93 -51.58 2.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -64.61 -48.37 75.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.09 -50.73 14.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -45.08 -49.79 11.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -57.15 -65.89 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -40.44 -66.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -37.7 -58.69 0.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.492 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 41.4 ttm -43.32 -51.23 6.43 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.73 -48.44 79.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.75 -74.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 15' ' ' VAL . . . -39.57 -65.19 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 11' ' ' MET . 58.2 t -40.05 -53.95 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.3 ttt -54.22 -45.05 72.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.4 mtp -62.69 -37.07 85.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.97 -67.64 1.94 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 pp -47.95 -47.31 32.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.236 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.09 -56.19 22.58 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.47 -62.9 1.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.4 mt -44.25 -43.02 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.565 1.166 . . . . 0.0 109.35 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.43 -66.19 2.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.571 1.169 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -57.72 -60.41 3.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 0.739 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.472 ' CB ' HG13 ' A' ' 60' ' ' VAL . . . -40.96 -30.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -78.17 -50.93 18.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 26' ' ' ILE . . . -34.03 -46.16 0.46 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.47 HG23 ' CG1' ' A' ' 56' ' ' VAL . 0.4 OUTLIER -75.31 -50.78 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.11 -53.85 7.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.61 1.194 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.5 mm -65.44 -31.05 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.48 0.753 . . . . 0.0 109.35 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -57.7 -49.08 77.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.448 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -52.62 -35.68 46.29 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.59 -41.72 42.7 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -73.24 -11.74 60.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.746 . . . . 0.0 109.322 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' ALA . 3.9 t80 -98.12 -32.34 11.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.8 tp -47.14 -40.27 15.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.13 -37.97 23.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.28 -0.3 61.38 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.433 1.083 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.475 ' CB ' ' HG ' ' A' ' 49' ' ' LEU . . . -114.76 -36.75 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 0.806 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.72 -24.68 1.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 39' ' ' ALA . 3.8 mtt180 -52.4 -35.24 51.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.6 118.0 29.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -1.09 10.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.415 1.745 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.36 10.74 40.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tp -142.03 15.99 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.474 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 1.0 OUTLIER -77.54 -53.82 1.51 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.229 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.2 Cg_endo -74.97 0.83 8.42 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -93.2 -65.39 1.0 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.433 1.083 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.511 ' CD2' ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -64.32 -35.13 79.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.48 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -60.61 -71.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.0 m -39.06 -42.6 0.92 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -56.91 15.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.448 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 25.8 t80 -44.52 -40.9 6.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -58.05 -60.43 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mt -57.27 -32.24 40.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.47 ' CG1' HG23 ' A' ' 28' ' ' ILE . 43.7 t -69.93 -30.92 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -63.0 -49.35 75.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.392 1.057 . . . . 0.0 111.055 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.01 -57.44 19.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.01 -45.11 79.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.472 HG13 ' CB ' ' A' ' 25' ' ' ALA . 3.2 t -53.83 -37.96 34.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.432 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER -82.04 -18.44 43.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.407 ' O ' ' CG1' ' A' ' 66' ' ' ILE . . . -86.28 -5.44 59.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.439 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.2 mt -73.45 -55.8 3.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.08 -39.14 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.559 1.821 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 ttt -59.0 -40.4 84.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.407 ' CG1' ' O ' ' A' ' 62' ' ' ALA . 89.9 mt -80.66 -28.23 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.371 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.65 -70.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.0 t -62.48 -31.71 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -53.19 -48.0 60.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -59.72 2.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 0.732 . . . . 0.0 109.236 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -39.75 -45.93 2.89 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.1 mt -67.71 -58.5 4.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.754 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -40.77 -43.5 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.72 -63.71 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.413 1.071 . . . . 0.0 109.277 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.06 -48.1 4.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -68.56 -34.88 76.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.89 -68.25 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.0 m -59.17 -33.63 51.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.943 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -44.6 -51.45 9.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.57 ' O ' HG23 ' A' ' 15' ' ' VAL . 6.9 ttm -44.97 -48.87 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.65 -39.05 73.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.585 1.178 . . . . 0.0 109.349 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.95 -71.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.39 -62.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 11' ' ' MET . 64.6 t -41.76 -53.76 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -48.64 69.5 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 76.2 mtp -55.4 -52.11 64.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.543 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -47.28 -40.36 14.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.387 1.054 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.29 -70.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 0.738 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.16 -61.56 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.3 -55.87 3.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.543 HD12 ' O ' ' A' ' 18' ' ' GLY . 27.2 mt -48.01 -47.68 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.79 -64.28 3.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.473 ' O ' HD12 ' A' ' 28' ' ' ILE . 15.8 t0 -55.65 -63.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.362 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.696 ' O ' HG13 ' A' ' 60' ' ' VAL . . . -40.55 -29.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' GLY . 0.2 OUTLIER -79.05 -50.95 17.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.74 -45.49 0.54 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.459 1.099 . . . . 0.0 111.02 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.742 HG22 HG11 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -75.55 -50.82 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 0.0 109.236 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -44.34 -51.58 7.58 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.3 mm -68.1 -31.18 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.733 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.08 -45.63 86.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.49 -35.68 29.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.89 -36.99 17.25 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -75.81 -2.61 30.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CD2' ' NE2' ' A' ' 52' ' ' GLN . 2.4 t80 -94.01 -33.89 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.03 -60.83 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.745 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -59.24 -39.94 84.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.21 -58.68 12.76 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.409 1.068 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.961 ' HB3' HD22 ' A' ' 49' ' ' LEU . . . -61.52 -22.91 65.55 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.577 0.81 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 37' ' ' GLU . . . -48.42 -24.43 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.235 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -59.41 -35.1 73.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.846 ' HG3' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -120.84 118.98 30.24 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.342 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.28 9.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.547 1.814 . . . . 0.0 110.985 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.96 11.85 38.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.846 HD13 ' HG3' ' A' ' 42' ' ' GLN . 3.6 mp -131.05 23.72 4.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.516 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.8 OUTLIER -76.08 -51.96 2.65 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.2 Cg_endo -74.95 -13.74 21.44 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.55 1.816 . . . . 0.0 110.996 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.42 -64.23 1.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.373 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.961 HD22 ' HB3' ' A' ' 39' ' ' ALA . 0.2 OUTLIER -46.45 -35.31 5.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.415 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 10.1 ttp180 -71.33 -48.94 47.3 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 0.0 110.276 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.876 ' O ' HD12 ' A' ' 55' ' ' ILE . 33.7 m -57.12 -56.83 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.82 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -57.38 -38.22 73.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -60.75 -63.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.455 ' O ' ' CB ' ' A' ' 57' ' ' MET . 2.4 t80 -37.79 -56.63 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 111.04 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.876 HD12 ' O ' ' A' ' 51' ' ' THR . 3.3 mt -53.11 -51.57 37.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 52' ' ' GLN . 89.2 t -55.07 -28.93 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.383 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.455 ' CB ' ' O ' ' A' ' 54' ' ' PHE . 1.0 OUTLIER -61.05 -58.81 6.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.92 -46.4 89.51 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.75 ' O ' HD23 ' A' ' 59' ' ' LEU . 4.4 tt -57.62 -38.29 74.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.696 HG13 ' O ' ' A' ' 25' ' ' ALA . 2.6 t -62.26 -39.77 85.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.402 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 2.4 m120 -82.94 -5.36 59.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.52 ' O ' HD12 ' A' ' 66' ' ' ILE . . . -90.56 -23.03 20.99 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.558 HG21 ' HB2' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -61.85 -54.67 48.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.99 -46.05 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.791 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.401 ' SD ' ' C ' ' A' ' 65' ' ' MET . 0.3 OUTLIER -53.31 -40.41 64.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.52 HD12 ' O ' ' A' ' 62' ' ' ALA . 50.0 mt -79.9 -29.04 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.56 -71.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.249 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.5 t -63.95 -27.95 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.02 -57.5 18.03 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.547 1.154 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -56.25 22.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.624 0.838 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -42.34 -49.69 5.6 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 72' ' ' LEU . 1.7 mt -58.72 -66.1 0.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 0.723 . . . . 0.0 109.216 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -37.99 -41.93 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 111.021 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.549 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 71.6 t -66.81 -55.19 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.36 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 8.2 tmm? -49.18 -51.11 34.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -68.01 -15.64 63.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 74' ' ' VAL . . . -77.91 -55.62 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.6 p -95.99 14.16 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.505 ' CE2' ' HB2' ' A' ' 75' ' ' MET . 2.5 t80 -37.93 -33.32 0.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.168 . . . . 0.0 110.988 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.544 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.7 ttm -69.19 -55.57 10.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.9 77.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.03 -71.49 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.37 -62.36 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.24 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 11' ' ' MET . 47.7 t -40.42 -46.41 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -49.59 76.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.496 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 47.2 mtt -58.84 -31.89 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.67 -63.14 4.25 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.682 HD12 ' N ' ' A' ' 20' ' ' ALA . 2.6 pp -56.03 -58.81 6.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.682 ' N ' HD12 ' A' ' 19' ' ' LEU . . . -46.56 -61.91 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.217 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -44.21 -56.39 4.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 109.327 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.7 mt -48.11 -46.84 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.32 -65.39 2.57 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.476 ' O ' HD12 ' A' ' 28' ' ' ILE . 8.3 t0 -56.27 -61.35 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.804 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -40.89 -29.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.511 HG23 HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -79.23 -50.91 17.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.76 -45.35 0.53 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.456 1.098 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.731 HG22 HG13 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -75.62 -50.59 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -44.91 -51.53 8.3 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.511 HD13 HG23 ' A' ' 26' ' ' ILE . 1.4 mp -67.89 -31.12 50.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -43.57 92.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.91 -31.6 55.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.06 -43.36 8.81 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.53 -9.9 46.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.418 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 2.3 t80 -92.45 -31.69 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.679 HD12 HD11 ' A' ' 49' ' ' LEU . 4.7 tp -42.33 -60.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.24 -36.91 82.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.79 -34.63 78.46 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.803 ' HB3' HD22 ' A' ' 49' ' ' LEU . . . -96.64 -12.45 23.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.612 0.83 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.85 -28.71 67.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.68 -0.75 57.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.428 ' CB ' ' HB2' ' A' ' 45' ' ' LEU . 7.9 mm100 -114.79 104.39 54.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.516 ' HA ' HD12 ' A' ' 46' ' ' ILE . 18.3 Cg_endo -74.97 0.73 8.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.539 1.81 . . . . 0.0 110.97 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.77 13.14 9.92 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.428 ' HB2' ' CB ' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -131.41 15.32 5.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -72.32 -51.79 7.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.1 Cg_endo -75.01 -1.03 10.69 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 48' ' ' LEU . 14.3 mt -99.55 -51.02 3.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.803 HD22 ' HB3' ' A' ' 39' ' ' ALA . 0.1 OUTLIER -53.92 -50.26 66.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.419 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -58.56 -66.01 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.8 m -38.64 -47.38 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.399 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.83 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -60.56 -54.82 40.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.365 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -44.59 -59.75 2.32 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -43.21 -51.54 6.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 110.962 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.0 mt -62.44 -39.57 84.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.462 1.101 . . . . 0.0 109.242 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 52' ' ' GLN . 52.0 t -58.92 -66.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 mtt -42.58 -31.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 62' ' ' ALA . . . -74.88 -41.5 33.22 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -78.72 -7.27 57.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.539 0.787 . . . . 0.0 109.272 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.804 HG22 ' O ' ' A' ' 25' ' ' ALA . 62.5 t -88.05 -38.23 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.472 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 2.8 m-20 -94.17 -10.45 33.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.504 ' O ' HD12 ' A' ' 66' ' ' ILE . . . -92.87 -39.63 11.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.581 ' CG2' ' HB2' ' A' ' 25' ' ' ALA . 1.6 mt -49.77 -49.19 74.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.05 -53.52 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.559 1.821 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.406 ' HB2' ' O ' ' A' ' 61' ' ' ASN . 2.8 mtm -42.41 -47.09 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.043 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.504 HD12 ' O ' ' A' ' 62' ' ' ALA . 8.2 mt -75.54 -30.82 22.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.439 1.087 . . . . 0.0 109.276 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 64' ' ' PRO . . . -61.86 -71.07 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.113 . . . . 0.0 109.36 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.0 t -66.57 -27.66 40.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.35 -61.18 7.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.12 -52.04 67.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.751 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -46.87 -45.23 18.92 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.554 1.159 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' A' ' 72' ' ' LEU . 1.9 mt -65.05 -60.52 2.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.764 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -40.37 -44.89 2.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.3 -44.12 98.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.505 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 4.4 ttt -59.47 -40.23 86.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -80.62 -12.97 59.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.88 -47.48 45.57 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.0 p -72.77 -31.48 36.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.153 . . . . 0.0 109.36 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.554 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.9 m-30 -52.3 -50.23 62.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 111.077 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.628 ' O ' HG23 ' A' ' 15' ' ' VAL . 21.6 ttt -45.82 -52.52 11.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.77 -24.62 66.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 10' ' ' TYR . . . -76.23 -72.3 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.58 -54.29 9.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.232 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 11' ' ' MET . 79.5 t -47.69 -48.21 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.6 mtp -59.4 -55.95 28.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.6 mtp -51.64 -36.4 45.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 19' ' ' LEU . . . -66.36 -73.93 0.58 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' GLY . 0.7 OUTLIER -39.72 -53.86 2.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 0.797 . . . . 0.0 109.256 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.21 -55.77 18.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.506 ' HB1' HG22 ' A' ' 63' ' ' ILE . . . -50.24 -62.69 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.5 mt -43.21 -45.45 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.02 -63.86 3.95 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.48 1.112 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.504 ' O ' HD12 ' A' ' 28' ' ' ILE . 3.5 t70 -58.84 -60.99 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.721 ' HB1' HG13 ' A' ' 60' ' ' VAL . . . -41.27 -29.2 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.433 ' N ' ' C ' ' A' ' 24' ' ' ASP . 0.3 OUTLIER -77.56 -51.91 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.628 1.205 . . . . 0.0 109.263 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -35.01 -46.32 0.64 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.56 1.163 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.529 HD13 HG22 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -73.92 -52.22 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.451 0.736 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -43.86 -53.61 6.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.118 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.0 mm -65.75 -29.67 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.382 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' ILE . 0.6 OUTLIER -59.68 -48.15 82.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.225 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.528 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -50.58 -37.63 33.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.68 -41.14 35.86 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -8.26 54.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.567 ' HD2' HD23 ' A' ' 49' ' ' LEU . 4.4 t80 -98.1 -33.17 11.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.5 tp -52.91 -46.45 68.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.819 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 1.2 tt0 -66.36 -42.4 88.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.254 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.09 -62.64 5.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.02 -16.09 28.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.819 ' HB3' ' O ' ' A' ' 37' ' ' GLU . . . -53.05 -23.85 8.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -35.12 74.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.222 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.857 ' HG3' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -120.1 118.3 31.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 0.37 9.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.533 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -101.42 11.13 39.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.857 HD13 ' HG3' ' A' ' 42' ' ' GLN . 6.3 mp -136.94 12.07 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.497 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 1.1 mt -77.66 -53.08 1.58 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.4 Cg_endo -75.05 0.72 8.59 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.549 1.815 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.4 mp -95.57 -61.39 1.47 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.921 HD13 ' N ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -67.49 -32.99 74.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 109.376 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.921 ' N ' HD13 ' A' ' 49' ' ' LEU . 1.2 ttm-85 -60.19 -66.74 0.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 110.312 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.9 m -46.13 -37.73 7.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.384 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -52.89 62.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.363 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.528 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 28.3 t80 -48.94 -35.32 14.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -62.55 -58.33 7.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mt -59.21 -34.76 54.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.482 ' O ' HG23 ' A' ' 60' ' ' VAL . 23.3 t -69.33 -32.41 53.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -52.62 64.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.442 1.089 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.71 -63.07 5.61 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.57 1.169 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.528 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 0.8 OUTLIER -48.45 -44.56 35.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 0.782 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.721 HG13 ' HB1' ' A' ' 25' ' ' ALA . 2.7 t -56.89 -42.74 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.445 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 2.5 m120 -78.31 -2.71 39.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.564 ' O ' HD12 ' A' ' 66' ' ' ILE . . . -91.26 -25.34 19.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.506 HG22 ' HB1' ' A' ' 21' ' ' ALA . 1.0 OUTLIER -58.58 -52.88 71.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.367 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.98 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -46.89 -43.26 18.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.564 HD12 ' O ' ' A' ' 62' ' ' ALA . 8.7 mt -79.71 -29.34 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 64' ' ' PRO . . . -63.99 -69.57 0.27 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.613 1.196 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.6 t -67.63 -31.48 52.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.51 -57.09 6.79 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.453 1.095 . . . . 0.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -69.67 -56.67 6.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.425 0.721 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -38.34 -39.04 0.69 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.89 -64.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -37.49 -40.97 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.7 t -68.65 -62.51 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -48.35 -22.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.95 -30.65 14.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.04 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.36 -52.17 55.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 79' ' ' ALA . 9.5 p -59.99 -47.37 92.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.411 ' N ' HG13 ' A' ' 78' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -37.64 -52.22 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.5 ttp -51.45 -61.19 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.31 -42.41 52.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 14' ' ' ALA . . . -60.67 -78.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -39.15 -62.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.632 ' O ' HD13 ' A' ' 19' ' ' LEU . 23.8 t -40.21 -54.48 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.6 mmm -56.17 -46.03 79.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.2 mtt -57.97 -60.49 3.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.461 1.1 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.477 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -47.28 -42.38 17.65 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.143 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 15' ' ' VAL . 9.4 mp -62.07 -69.86 0.23 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 0.773 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.83 -63.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.8 -58.35 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.356 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 18' ' ' GLY . 28.8 mt -45.11 -49.19 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.37 -63.72 3.54 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.493 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.47 -63.41 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.717 ' HB1' HG13 ' A' ' 60' ' ' VAL . . . -40.53 -29.65 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.371 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.447 ' N ' ' C ' ' A' ' 24' ' ' ASP . 0.2 OUTLIER -78.64 -51.15 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.335 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.88 -45.68 0.57 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.493 HD12 ' O ' ' A' ' 24' ' ' ASP . 0.3 OUTLIER -75.2 -49.59 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.567 0.804 . . . . 0.0 109.215 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' ILE . . . -45.28 -50.96 9.49 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.485 1.116 . . . . 0.0 111.042 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mm -68.7 -30.13 46.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.421 0.718 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.57 -40.05 95.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.565 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -55.18 -36.36 61.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.44 1.088 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -78.89 -40.5 17.03 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -68.44 -9.31 47.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 0.765 . . . . 0.0 109.373 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.729 ' CD2' HD12 ' A' ' 49' ' ' LEU . 1.4 t80 -94.55 -31.17 14.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.618 ' HA ' HD11 ' A' ' 49' ' ' LEU . 61.1 mt -53.6 -47.95 69.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 109.309 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.693 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 0.8 OUTLIER -67.01 -38.52 86.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.02 -54.85 30.16 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.792 ' CB ' HD13 ' A' ' 49' ' ' LEU . . . -66.12 -16.8 64.26 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 0.749 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 37' ' ' GLU . . . -53.45 -20.92 5.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.48 -27.14 60.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.43 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -116.95 110.68 41.49 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.95 0.3 9.05 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.543 1.812 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.25 12.8 23.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.43 ' HB2' ' CG ' ' A' ' 42' ' ' GLN . 3.3 mp -133.56 10.08 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.672 ' O ' HD23 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -76.42 -52.4 2.3 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.3 Cg_endo -74.95 0.22 9.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 mp -99.14 -56.14 2.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.792 HD13 ' CB ' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -60.83 -39.43 89.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.588 ' H ' HD23 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -58.09 -62.25 1.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.132 . . . . 0.0 110.252 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.4 m -38.73 -57.12 1.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.376 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.778 ' O ' HG23 ' A' ' 56' ' ' VAL . 2.0 mt-30 -56.18 -60.52 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.252 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.565 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 7.4 t80 -40.76 -41.6 1.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -57.02 -60.79 3.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 111.046 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.2 mt -56.73 -34.8 43.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 52' ' ' GLN . 46.1 t -61.56 -50.51 80.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.7 ttt -50.27 -39.31 44.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 111.011 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 61' ' ' ASN . . . -63.48 -69.95 1.18 Allowed Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.427 1.08 . . . . 0.0 110.948 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.548 ' HA ' ' HB3' ' A' ' 62' ' ' ALA . 1.1 pp -44.38 -43.91 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 0.807 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.717 HG13 ' HB1' ' A' ' 25' ' ' ALA . 2.7 t -52.21 -40.98 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' GLY . 3.9 m120 -81.73 -19.53 41.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.549 ' O ' HD12 ' A' ' 66' ' ' ILE . . . -86.1 -1.97 57.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.245 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.436 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -77.18 -56.08 1.28 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.97 -39.05 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.805 . . . . 0.0 111.065 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.4 ttt -59.53 -46.55 88.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.549 HD12 ' O ' ' A' ' 62' ' ' ALA . 69.0 mt -75.03 -29.02 21.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 63' ' ' ILE . . . -68.04 -72.55 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.72 -33.65 55.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.13 -50.33 55.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.7 -62.26 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.747 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -41.16 -47.02 4.32 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.516 1.135 . . . . 0.0 111.05 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 72' ' ' LEU . 2.0 mt -63.64 -63.32 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 1.9 t80 -37.91 -41.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.8 t -66.71 -50.45 65.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -55.7 -54.85 39.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.931 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.19 -44.39 97.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 73' ' ' TYR . . . -46.6 -69.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.2 p -59.78 -36.71 67.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.488 ' CD2' ' SD ' ' A' ' 75' ' ' MET . 48.6 t80 -37.86 -54.2 1.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.64 ' O ' HG23 ' A' ' 15' ' ' VAL . 8.1 ttt -45.74 -51.09 13.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.0 -48.65 75.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.7 -73.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.78 -63.84 0.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 11' ' ' MET . 54.9 t -40.17 -54.16 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -47.98 64.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.6 mtt -57.54 -42.41 82.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.155 . . . . 0.0 111.027 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.61 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -55.16 -40.51 75.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.7 -68.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 0.724 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.18 -62.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.31 -53.85 3.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.061 . . . . 0.0 109.233 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.61 HD12 ' O ' ' A' ' 18' ' ' GLY . 10.6 mt -48.84 -49.41 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.9 -64.64 2.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.532 ' O ' HD12 ' A' ' 28' ' ' ILE . 4.4 t70 -55.0 -63.55 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.821 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -40.0 -29.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.364 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.847 HG23 HD13 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -78.89 -52.04 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.08 . . . . 0.0 109.288 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.65 -44.07 0.43 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.787 HG22 HG13 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -75.53 -48.75 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 0.764 . . . . 0.0 109.282 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 26' ' ' ILE . . . -49.29 -48.44 33.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.847 HD13 HG23 ' A' ' 26' ' ' ILE . 1.7 mp -67.81 -31.93 54.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.472 HD23 HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -58.46 -56.94 15.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.407 ' N ' ' HG ' ' A' ' 31' ' ' LEU . . . -46.2 -29.44 3.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.566 1.166 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.78 -38.18 8.91 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.46 -2.04 30.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 0.797 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -94.84 -27.54 15.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.79 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 5.1 tp -56.96 -31.95 65.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.379 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.82 -29.12 16.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.75 -52.84 8.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.74 ' HB3' HD22 ' A' ' 49' ' ' LEU . . . -79.46 1.19 26.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.79 ' HB2' ' O ' ' A' ' 36' ' ' LEU . . . -69.87 -18.68 63.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -79.36 -17.51 54.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.577 ' CB ' HD23 ' A' ' 45' ' ' LEU . 5.4 mm-40 -114.71 113.26 44.95 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 110.305 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 0.25 9.08 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.727 ' C ' HD22 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -109.48 13.19 24.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.727 HD22 ' C ' ' A' ' 44' ' ' ASP . 2.3 mm? -120.9 17.68 11.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.497 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.6 OUTLIER -76.25 -52.46 2.41 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.4 Cg_endo -75.03 -1.01 10.67 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 48' ' ' LEU . 13.8 mt -107.53 -65.72 1.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.74 HD22 ' HB3' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -45.86 -45.09 14.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.627 ' N ' HD12 ' A' ' 49' ' ' LEU . 6.0 mtm180 -59.16 -70.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.7 m -38.87 -47.78 1.47 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.375 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 53' ' ' PHE . 15.1 mt-30 -52.45 -62.43 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 52' ' ' GLN . 9.5 t80 -37.79 -63.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -37.47 -55.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.3 mt -59.41 -52.37 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.604 1.19 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.787 HG13 HG22 ' A' ' 28' ' ' ILE . 24.4 t -45.12 -61.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -36.49 4.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.33 -53.93 19.06 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.594 ' HA ' ' HB3' ' A' ' 62' ' ' ALA . 0.2 OUTLIER -64.12 -17.36 63.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 109.235 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.821 HG22 ' O ' ' A' ' 25' ' ' ALA . 5.5 t -73.47 -42.63 56.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.457 ' O ' ' CB ' ' A' ' 65' ' ' MET . 3.7 m-20 -90.74 -2.07 57.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.594 ' HB3' ' HA ' ' A' ' 59' ' ' LEU . . . -92.68 -34.12 14.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.504 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -56.8 -52.07 76.59 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.98 -48.74 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.457 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 12.1 ttt -49.24 -43.29 42.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 62' ' ' ALA . 14.8 mt -78.59 -28.87 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.413 ' HB3' ' HA ' ' A' ' 64' ' ' PRO . . . -65.4 -70.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.56 -28.27 43.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.12 -51.53 55.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.438 1.086 . . . . 0.0 111.055 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.32 -56.33 13.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 0.75 . . . . 0.0 109.324 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -43.39 -47.58 6.95 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 72' ' ' LEU . 2.5 mt -63.56 -61.98 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 0.779 . . . . 0.0 109.353 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -38.41 -42.73 0.76 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.54 -61.63 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.488 ' SD ' ' CD2' ' A' ' 10' ' ' TYR . 4.2 tpt -44.0 -50.97 8.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -65.6 -43.23 90.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.67 -69.11 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.49 -31.32 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.444 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 6.7 tt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -47.99 -60.71 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.643 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.5 ttp -49.49 -41.5 40.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -57.16 -52.47 65.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.81 -66.62 0.51 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 17' ' ' MET . . . -40.15 -67.35 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 11' ' ' MET . 78.3 t -40.38 -48.54 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -44.25 78.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.482 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 33.2 mtp -65.25 -32.8 74.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.94 -64.85 3.6 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.514 HD12 ' N ' ' A' ' 20' ' ' ALA . 0.7 OUTLIER -50.48 -68.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 0.722 . . . . 0.0 109.225 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.514 ' N ' HD12 ' A' ' 19' ' ' LEU . . . -40.1 -61.24 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -42.87 -63.79 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.4 mt -43.99 -43.64 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.4 ' O ' ' HB ' ' A' ' 26' ' ' ILE . . . -49.24 -67.49 1.72 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -58.73 -58.85 6.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.62 ' HB2' HG21 ' A' ' 63' ' ' ILE . . . -40.9 -29.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -78.43 -50.85 18.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.363 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.38 -46.31 0.53 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.457 1.098 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.485 HD12 ' H ' ' A' ' 28' ' ' ILE . 0.3 OUTLIER -76.11 -47.7 30.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.489 0.758 . . . . 0.0 109.34 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 26' ' ' ILE . . . -47.11 -54.06 10.19 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 23.8 mm -65.52 -31.44 53.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.05 -46.42 85.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.571 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -50.74 -37.76 35.29 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.55 -41.95 28.34 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -71.95 -6.2 40.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.727 ' CD2' HD12 ' A' ' 49' ' ' LEU . 1.4 t80 -90.83 -30.11 17.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.996 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.695 ' HA ' HD11 ' A' ' 49' ' ' LEU . 2.2 mm? -53.62 -50.39 65.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.598 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 1.3 mp0 -63.65 -42.76 98.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.415 1.072 . . . . 0.0 110.228 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.53 -42.9 97.89 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.871 ' HB3' HD13 ' A' ' 49' ' ' LEU . . . -88.18 12.73 12.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 0.739 . . . . 0.0 109.207 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 37' ' ' GLU . . . -87.23 -14.16 41.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.26 -32.95 59.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.695 ' HG3' HD13 ' A' ' 45' ' ' LEU . 1.7 pm0 -126.32 121.79 23.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.375 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.11 0.83 8.47 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.809 . . . . 0.0 110.934 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.6 8.76 41.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.695 HD13 ' HG3' ' A' ' 42' ' ' GLN . 0.4 OUTLIER -132.51 10.26 4.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.484 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 1.1 mt -76.09 -52.76 2.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.1 Cg_endo -75.0 0.05 9.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.476 1.777 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -101.1 -54.46 2.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.871 HD13 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -67.74 -34.08 76.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.1 ttm-85 -57.91 -71.31 0.11 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.8 m -40.13 -51.98 2.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.37 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.614 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.8 mt-30 -51.82 -62.93 1.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 10.2 t80 -37.49 -62.68 0.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -37.48 -59.35 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.2 mt -57.07 -49.66 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.229 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 52' ' ' GLN . 59.9 t -47.33 -44.7 9.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.1 ttt -54.5 -49.08 71.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 111.048 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.99 -46.77 93.38 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.658 ' O ' HD23 ' A' ' 59' ' ' LEU . 3.9 tt -61.73 -33.39 73.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 0.736 . . . . 0.0 109.251 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 25' ' ' ALA . 3.7 t -62.67 -39.78 85.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.408 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 3.7 m-20 -85.88 -5.39 59.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.609 ' O ' HD12 ' A' ' 66' ' ' ILE . . . -90.92 -19.4 23.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.371 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.62 HG21 ' HB2' ' A' ' 25' ' ' ALA . 1.2 mt -67.0 -54.35 20.93 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.5 Cg_endo -75.0 -39.77 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.414 1.744 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.4 -39.04 82.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 62' ' ' ALA . 60.8 mt -80.56 -28.99 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.24 -71.12 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.7 t -61.61 -28.58 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.03 -58.99 11.7 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.46 -54.65 43.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -48.03 -43.88 25.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.544 ' HA ' HD23 ' A' ' 72' ' ' LEU . 3.1 mt -64.23 -64.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -38.8 -44.78 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.58 -49.64 82.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.435 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 3.2 tmm? -54.65 -58.56 7.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -54.25 -47.02 72.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -47.44 -70.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.41 HG23 ' N ' ' A' ' 79' ' ' ALA . 18.1 m -57.77 -45.59 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 75' ' ' MET . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.477 ' CE2' ' HG3' ' A' ' 75' ' ' MET . 31.1 t80 -38.12 -57.36 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.489 ' O ' HG23 ' A' ' 15' ' ' VAL . 20.1 ttp -45.5 -49.79 13.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.12 -35.39 69.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.462 ' HB1' ' CE ' ' A' ' 17' ' ' MET . . . -71.93 -71.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.78 -62.53 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.646 ' O ' HD13 ' A' ' 19' ' ' LEU . 67.6 t -41.9 -53.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -41.79 74.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.598 1.186 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.462 ' CE ' ' HB1' ' A' ' 13' ' ' ALA . 25.0 mtt -64.49 -63.31 1.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.644 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -42.5 -42.55 4.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.646 HD13 ' O ' ' A' ' 15' ' ' VAL . 8.0 mp -58.48 -70.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.91 -60.01 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.29 -54.49 3.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 109.356 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.644 HD12 ' O ' ' A' ' 18' ' ' GLY . 18.0 mt -51.26 -45.47 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.97 -64.61 3.16 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.477 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.9 t70 -55.95 -61.42 2.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.766 ' O ' HG13 ' A' ' 60' ' ' VAL . . . -41.6 -28.54 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.153 . . . . 0.0 109.233 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.792 HG23 HD13 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -79.32 -50.73 17.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -35.7 -44.57 0.69 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.55 1.156 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 24' ' ' ASP . 0.3 OUTLIER -76.17 -49.71 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.19 -50.34 9.57 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.792 HD13 HG23 ' A' ' 26' ' ' ILE . 1.7 mp -69.0 -31.92 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.32 -38.97 88.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.27 -37.87 55.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 111.065 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.26 -32.64 22.35 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.49 -1.88 29.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' LEU . 2.0 t80 -91.45 -32.14 15.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' N ' HD21 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -39.5 -33.67 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -101.22 -44.7 5.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.3 -24.04 14.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.836 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . . . -95.99 -24.8 16.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 0.796 . . . . 0.0 109.277 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.39 -29.0 9.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.248 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -35.21 44.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.465 ' HG3' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -123.49 124.35 26.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.559 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 18.4 Cg_endo -75.03 -1.12 10.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.465 1.771 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.94 14.47 28.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.411 1.069 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.495 HD23 ' HB2' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -128.71 25.06 5.7 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.559 ' CD1' ' HA ' ' A' ' 43' ' ' PRO . 1.2 mp -75.07 -51.93 3.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.5 Cg_endo -74.98 -18.56 18.68 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.495 ' HB2' HD23 ' A' ' 45' ' ' LEU . 17.6 mt -85.41 -27.58 25.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.836 ' CD1' ' HB3' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -52.92 -71.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 51' ' ' THR . 2.3 mtm180 -50.83 -59.39 4.16 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.5 1.125 . . . . 0.0 110.191 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' ARG . 19.4 m -38.03 -46.54 1.01 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.575 1.172 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.52 -54.5 38.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 54' ' ' PHE . 28.5 t80 -48.9 -64.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -37.2 -56.51 0.93 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.434 1.083 . . . . 0.0 111.012 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.3 mt -56.79 -50.52 74.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.472 ' O ' HG23 ' A' ' 60' ' ' VAL . 17.4 t -50.62 -66.25 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.22 -29.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.81 -43.74 21.97 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -77.62 -8.54 58.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.766 HG13 ' O ' ' A' ' 25' ' ' ALA . 55.8 t -85.45 -40.65 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.489 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 3.3 m-20 -90.25 -16.61 29.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 109.351 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -86.72 -43.8 12.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.675 ' CG2' ' HB2' ' A' ' 25' ' ' ALA . 1.0 OUTLIER -39.31 -52.58 4.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.581 1.176 . . . . 0.0 109.321 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.06 -39.44 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.563 1.823 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.7 tpt -49.56 -55.28 14.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.7 mt -70.33 -30.88 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' ' 64' ' ' PRO . . . -59.05 -71.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.1 t -63.36 -29.36 47.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.77 -53.16 41.11 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.05 -55.55 21.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.781 . . . . 0.0 109.356 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.59 -43.68 7.98 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 75' ' ' MET . 2.4 mt -66.82 -63.41 1.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.753 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.47 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 2.6 t80 -37.78 -41.12 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.1 t -67.83 -50.34 60.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.477 ' HG3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -56.48 -57.74 11.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 111.038 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.749 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 79.3 t80 -57.55 -51.35 69.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 73' ' ' TYR . . . -40.6 -65.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.6 p -62.77 -39.88 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.749 ' HB2' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.52 ' CE2' ' HG3' ' A' ' 75' ' ' MET . 0.0 OUTLIER -50.16 -34.44 22.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.402 1.064 . . . . 0.0 111.033 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.472 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 35.5 ttm -70.75 -56.74 5.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.0 -21.62 3.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.47 -79.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.15 -52.16 7.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.5 t -46.34 -54.44 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.406 1.066 . . . . 0.0 109.364 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.0 mtt -52.99 -43.71 66.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.409 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 17.8 mtp -62.23 -44.77 95.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.399 1.062 . . . . 0.0 111.009 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.465 ' O ' ' CG1' ' A' ' 22' ' ' ILE . . . -60.23 -43.23 98.69 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mp -62.9 -68.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 0.802 . . . . 0.0 109.264 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' GLY . . . -46.28 -61.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -44.75 -54.74 5.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.465 ' CG1' ' O ' ' A' ' 18' ' ' GLY . 34.7 mt -51.61 -37.34 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' ALA . . . -56.97 -63.87 4.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.476 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -57.69 -59.06 5.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.788 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -42.18 -28.45 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.745 HG23 HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -79.21 -51.17 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' ILE . . . -35.28 -44.91 0.61 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.494 HG22 ' CG1' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -75.95 -51.52 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.404 ' CA ' HG21 ' A' ' 60' ' ' VAL . . . -43.49 -52.99 6.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.745 HD13 HG23 ' A' ' 26' ' ' ILE . 1.6 mp -66.57 -32.64 58.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.3 -46.96 79.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.17 -38.19 25.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.9 -38.81 26.03 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -76.58 -1.86 29.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 0.78 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 6.5 t80 -97.74 -38.84 9.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.1 tp -46.92 -57.19 5.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 2.6 mt-10 -61.22 -31.68 71.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.08 -47.05 48.0 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.557 1.161 . . . . 0.0 111.051 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.481 ' HB3' ' HG ' ' A' ' 49' ' ' LEU . . . -76.27 -15.38 60.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 37' ' ' GLU . . . -56.73 -18.48 12.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -34.39 78.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.638 ' HG3' HD13 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -117.44 118.11 35.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.38 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -2.0 11.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.537 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -101.88 12.77 36.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.391 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.638 HD13 ' HG3' ' A' ' 42' ' ' GLN . 7.5 mp -131.85 18.07 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.382 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.522 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.8 OUTLIER -76.08 -51.59 2.74 Favored Pre-proline 0 C--N 1.327 -0.386 0 O-C-N 124.4 1.062 . . . . 0.0 109.237 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.2 Cg_endo -74.95 0.51 8.8 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.488 1.783 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -100.1 -63.36 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.881 HD13 ' N ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -55.12 -26.86 41.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.881 ' N ' HD13 ' A' ' 49' ' ' LEU . 9.7 mtp180 -71.71 -53.98 11.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.766 ' O ' HD12 ' A' ' 55' ' ' ILE . 22.4 m -53.86 -54.83 33.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.379 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.724 ' O ' HG23 ' A' ' 56' ' ' VAL . 6.1 pt20 -57.44 -44.06 84.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.416 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 5.2 t80 -55.6 -52.34 64.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 111.049 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -46.16 -53.92 9.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.766 HD12 ' O ' ' A' ' 51' ' ' THR . 2.9 mp -58.95 -48.37 86.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 52' ' ' GLN . 73.3 t -48.36 -48.4 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 9.4 tmm? -52.32 -46.43 66.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.53 -45.14 93.93 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.547 ' HA ' ' HB3' ' A' ' 62' ' ' ALA . 2.1 tt -62.71 -32.57 73.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 0.809 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.788 HG22 ' O ' ' A' ' 25' ' ' ALA . 4.6 t -64.18 -38.08 81.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 65' ' ' MET . 3.5 m-20 -91.43 -1.68 57.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.547 ' HB3' ' HA ' ' A' ' 59' ' ' LEU . . . -92.83 -40.83 10.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.8 mt -52.26 -50.55 78.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.04 -52.64 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.801 . . . . 0.0 110.972 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.461 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 3.6 ttt -46.02 -39.26 8.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.05 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.527 HD12 ' O ' ' A' ' 62' ' ' ALA . 7.6 mt -83.13 -28.46 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 64' ' ' PRO . . . -65.38 -68.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.7 t -67.08 -24.99 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.595 1.185 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.97 -54.64 35.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.38 -57.63 9.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -41.0 -45.74 3.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.515 ' HA ' HD23 ' A' ' 72' ' ' LEU . 2.2 mt -64.06 -61.81 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -39.91 -45.35 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 38.3 t -60.71 -62.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.52 ' HG3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -40.16 -54.0 2.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 111.013 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -62.52 -48.56 79.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.072 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.89 -56.57 5.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.43 -34.72 49.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.105 . . . . 0.0 109.246 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 75' ' ' MET . . . . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 tt . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -46.49 -58.13 4.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.636 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.6 ttt -42.81 -47.52 5.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.14 -49.31 74.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.41 -72.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.94 -64.78 0.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 11' ' ' MET . 60.6 t -40.38 -53.96 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -51.93 -49.23 63.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.4 mtp -55.12 -48.61 73.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.505 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -51.42 -37.0 39.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.919 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.7 mt -62.68 -69.71 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.441 0.73 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.33 -57.64 2.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.87 -62.23 1.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.505 HD12 ' O ' ' A' ' 18' ' ' GLY . 40.7 mt -44.07 -45.62 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.403 1.064 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.31 -67.56 1.58 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.448 1.092 . . . . 0.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.487 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -56.62 -59.25 5.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.746 . . . . 0.0 109.248 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.473 ' O ' HG13 ' A' ' 60' ' ' VAL . . . -41.46 -28.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.693 HG23 HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -79.07 -50.96 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.389 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -35.57 -44.49 0.65 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.677 HD13 HG22 ' A' ' 60' ' ' VAL . 0.3 OUTLIER -76.04 -50.79 21.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.54 0.788 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.36 -52.73 8.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.693 HD13 HG23 ' A' ' 26' ' ' ILE . 1.7 mp -66.03 -32.09 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.779 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.41 -45.89 87.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.413 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -50.59 -39.45 37.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.615 1.197 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.52 -43.51 36.74 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -69.45 -8.39 46.31 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.528 0.781 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.549 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 2.3 t80 -93.6 -31.75 14.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 111.053 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' ALA . 2.4 mt -55.33 -56.29 21.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.638 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -53.45 -44.04 68.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.27 -48.36 79.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.598 1.186 . . . . 0.0 111.067 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.525 ' HB3' ' HG ' ' A' ' 49' ' ' LEU . . . -78.49 -2.21 37.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 37' ' ' GLU . . . -66.93 -13.51 61.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -100.06 -2.19 34.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.422 ' CB ' ' HB2' ' A' ' 45' ' ' LEU . 23.4 mm-40 -114.94 102.33 54.81 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.18 9.66 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.441 1.759 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.06 13.13 12.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.609 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -132.69 11.58 4.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.199 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.496 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.7 OUTLIER -76.29 -52.62 2.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.2 Cg_endo -75.01 -2.86 13.1 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.498 1.788 . . . . 0.0 111.031 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.42 -64.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.004 HD13 ' N ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -57.22 -26.58 60.95 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 1.004 ' N ' HD13 ' A' ' 49' ' ' LEU . 5.5 ttm-85 -74.82 -66.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.1 m -44.1 -41.27 5.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.524 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -67.78 -50.18 58.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.413 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 12.9 t80 -50.53 -43.96 56.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -57.39 -54.4 47.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.8 mt -62.35 -30.26 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 52' ' ' GLN . 38.7 t -69.9 -36.75 70.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.4 ' O ' ' OD1' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -59.4 -47.8 84.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 111.004 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.6 -63.38 4.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.429 1.081 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.588 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -47.34 -44.34 23.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.677 HG22 HD13 ' A' ' 28' ' ' ILE . 2.4 t -56.29 -47.2 81.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.355 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.417 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 5.8 m120 -75.01 -2.93 29.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 59' ' ' LEU . . . -90.26 -26.17 20.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.468 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -58.06 -54.55 54.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.06 -47.19 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.494 1.786 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -38.45 59.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.136 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.408 ' CG1' ' O ' ' A' ' 62' ' ' ALA . 69.8 mt -82.88 -27.9 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.59 -64.08 0.94 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.658 HG12 HD23 ' A' ' 72' ' ' LEU . 7.6 t -56.97 -58.77 4.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.545 ' HA2' HD21 ' A' ' 72' ' ' LEU . . . -38.14 -41.57 1.05 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.548 ' O ' HG23 ' A' ' 74' ' ' VAL . 1.9 mt -66.18 -51.71 55.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.786 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -56.41 -54.45 35.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -59.83 -41.92 92.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.62 0.835 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.686 ' N ' HD12 ' A' ' 72' ' ' LEU . 9.5 t80 -57.75 -41.84 82.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 70' ' ' LEU . 42.7 t -57.81 -45.46 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.8 ttp -58.2 -51.37 70.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -65.2 -32.34 73.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.43 -61.63 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.9 p -70.49 -18.37 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -37.7 -58.69 0.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.627 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.4 ttm -43.32 -51.23 6.43 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.73 -48.44 79.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.75 -74.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 15' ' ' VAL . . . -39.57 -65.19 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 11' ' ' MET . 58.2 t -40.05 -53.95 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.3 ttt -54.22 -45.05 72.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.4 mtp -62.69 -37.07 85.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.97 -67.64 1.94 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 20' ' ' ALA . 3.1 pp -47.95 -47.31 32.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.236 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.591 ' N ' HD12 ' A' ' 19' ' ' LEU . . . -55.09 -56.19 22.58 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.557 ' HB1' ' CG2' ' A' ' 63' ' ' ILE . . . -51.47 -62.9 1.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.4 mt -44.25 -43.02 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.565 1.166 . . . . 0.0 109.35 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.43 -66.19 2.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.571 1.169 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.484 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -57.72 -60.41 3.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 0.739 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.778 ' HB1' HG13 ' A' ' 60' ' ' VAL . . . -40.96 -30.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -78.17 -50.93 18.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 26' ' ' ILE . . . -34.03 -46.16 0.46 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.484 HD12 ' O ' ' A' ' 24' ' ' ASP . 0.4 OUTLIER -75.31 -50.78 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.11 -53.85 7.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.61 1.194 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.5 mm -65.44 -31.05 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.48 0.753 . . . . 0.0 109.35 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.7 -49.08 77.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.448 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -52.62 -35.68 46.29 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.59 -41.72 42.7 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -73.24 -11.74 60.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.746 . . . . 0.0 109.322 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' ALA . 3.9 t80 -98.12 -32.34 11.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.8 tp -47.14 -40.27 15.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.13 -37.97 23.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.28 -0.3 61.38 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.433 1.083 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.475 ' CB ' ' HG ' ' A' ' 49' ' ' LEU . . . -114.76 -36.75 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 0.806 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.72 -24.68 1.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 39' ' ' ALA . 3.8 mtt180 -52.4 -35.24 51.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.6 118.0 29.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -1.09 10.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.415 1.745 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.36 10.74 40.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.597 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.0 tp -142.03 15.99 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.474 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 1.0 OUTLIER -77.54 -53.82 1.51 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.229 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.2 Cg_endo -74.97 0.83 8.42 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' A' ' 48' ' ' LEU . 1.8 mm? -93.2 -65.39 1.0 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.433 1.083 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.931 HD13 ' N ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -64.32 -35.13 79.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.931 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -60.61 -71.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.0 m -39.06 -42.6 0.92 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.858 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -59.8 -56.91 15.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.448 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 25.8 t80 -44.52 -40.9 6.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -58.05 -60.43 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mt -57.27 -32.24 40.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 52' ' ' GLN . 43.7 t -69.93 -30.92 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -63.0 -49.35 75.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.392 1.057 . . . . 0.0 111.055 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.01 -57.44 19.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.541 HD12 ' C ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -56.01 -45.11 79.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.778 HG13 ' HB1' ' A' ' 25' ' ' ALA . 3.2 t -53.83 -37.96 34.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.437 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 3.6 m-20 -82.04 -18.44 43.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' A' ' 59' ' ' LEU . . . -86.28 -5.44 59.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.557 ' CG2' ' HB1' ' A' ' 21' ' ' ALA . 1.2 mt -73.45 -55.8 3.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.08 -39.14 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.559 1.821 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 ttt -59.0 -40.4 84.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.407 ' CG1' ' O ' ' A' ' 62' ' ' ALA . 89.9 mt -80.66 -28.23 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.371 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.65 -70.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.0 t -62.48 -31.71 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -53.19 -48.0 60.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -59.72 2.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 0.732 . . . . 0.0 109.236 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -39.75 -45.93 2.89 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.484 ' HA ' HD23 ' A' ' 72' ' ' LEU . 2.1 mt -67.71 -58.5 4.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.754 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -40.77 -43.5 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.72 -63.71 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.413 1.071 . . . . 0.0 109.277 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.06 -48.1 4.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -68.56 -34.88 76.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.89 -68.25 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.475 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 18.0 m -59.17 -33.63 51.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 78' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.507 0.194 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -97.17 -13.46 22.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -136.83 24.11 3.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tp -119.5 -43.66 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -84.57 -49.42 8.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.219 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.8 -43.48 4.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 111.072 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.17 -50.88 63.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.75 -68.17 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.57 1.169 . . . . 0.0 109.361 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.79 -59.15 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -44.6 -51.45 9.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.57 ' O ' HG23 ' A' ' 15' ' ' VAL . 6.9 ttm -44.97 -48.87 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.65 -39.05 73.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.585 1.178 . . . . 0.0 109.349 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.95 -71.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.39 -62.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 11' ' ' MET . 64.6 t -41.76 -53.76 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -48.64 69.5 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 76.2 mtp -55.4 -52.11 64.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.543 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -47.28 -40.36 14.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.387 1.054 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.29 -70.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 0.738 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.16 -61.56 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.3 -55.87 3.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.543 HD12 ' O ' ' A' ' 18' ' ' GLY . 27.2 mt -48.01 -47.68 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.79 -64.28 3.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.473 ' O ' HD12 ' A' ' 28' ' ' ILE . 15.8 t0 -55.65 -63.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.362 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.696 ' O ' HG13 ' A' ' 60' ' ' VAL . . . -40.55 -29.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' GLY . 0.2 OUTLIER -79.05 -50.95 17.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.74 -45.49 0.54 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.459 1.099 . . . . 0.0 111.02 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.742 HG22 HG11 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -75.55 -50.82 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 0.0 109.236 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -44.34 -51.58 7.58 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.3 mm -68.1 -31.18 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.733 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.08 -45.63 86.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.49 -35.68 29.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.89 -36.99 17.25 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -75.81 -2.61 30.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CD2' ' NE2' ' A' ' 52' ' ' GLN . 2.4 t80 -94.01 -33.89 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.03 -60.83 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.745 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -59.24 -39.94 84.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.21 -58.68 12.76 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.409 1.068 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.961 ' HB3' HD22 ' A' ' 49' ' ' LEU . . . -61.52 -22.91 65.55 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.577 0.81 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 37' ' ' GLU . . . -48.42 -24.43 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.235 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -59.41 -35.1 73.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.846 ' HG3' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -120.84 118.98 30.24 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.342 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.28 9.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.547 1.814 . . . . 0.0 110.985 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.96 11.85 38.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.846 HD13 ' HG3' ' A' ' 42' ' ' GLN . 3.6 mp -131.05 23.72 4.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.516 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.8 OUTLIER -76.08 -51.96 2.65 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.2 Cg_endo -74.95 -13.74 21.44 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.55 1.816 . . . . 0.0 110.996 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.42 -64.23 1.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.373 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.961 HD22 ' HB3' ' A' ' 39' ' ' ALA . 0.2 OUTLIER -46.45 -35.31 5.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.415 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 10.1 ttp180 -71.33 -48.94 47.3 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 0.0 110.276 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.876 ' O ' HD12 ' A' ' 55' ' ' ILE . 33.7 m -57.12 -56.83 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.82 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -57.38 -38.22 73.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -60.75 -63.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.455 ' O ' ' CB ' ' A' ' 57' ' ' MET . 2.4 t80 -37.79 -56.63 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 111.04 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.876 HD12 ' O ' ' A' ' 51' ' ' THR . 3.3 mt -53.11 -51.57 37.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 52' ' ' GLN . 89.2 t -55.07 -28.93 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.383 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.455 ' CB ' ' O ' ' A' ' 54' ' ' PHE . 1.0 OUTLIER -61.05 -58.81 6.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.92 -46.4 89.51 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.75 ' O ' HD23 ' A' ' 59' ' ' LEU . 4.4 tt -57.62 -38.29 74.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.696 HG13 ' O ' ' A' ' 25' ' ' ALA . 2.6 t -62.26 -39.77 85.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.402 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 2.4 m120 -82.94 -5.36 59.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.52 ' O ' HD12 ' A' ' 66' ' ' ILE . . . -90.56 -23.03 20.99 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.558 HG21 ' HB2' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -61.85 -54.67 48.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.99 -46.05 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.791 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.401 ' SD ' ' C ' ' A' ' 65' ' ' MET . 0.3 OUTLIER -53.31 -40.41 64.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.52 HD12 ' O ' ' A' ' 62' ' ' ALA . 50.0 mt -79.9 -29.04 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.56 -71.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.249 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.5 t -63.95 -27.95 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.02 -57.5 18.03 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.547 1.154 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -56.25 22.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.624 0.838 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -42.34 -49.69 5.6 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 72' ' ' LEU . 1.7 mt -58.72 -66.1 0.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 0.723 . . . . 0.0 109.216 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -37.99 -41.93 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 111.021 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.549 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 71.6 t -66.81 -55.19 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.36 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 8.2 tmm? -49.18 -51.11 34.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -68.01 -15.64 63.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 74' ' ' VAL . . . -77.91 -55.62 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.6 p -95.99 14.16 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.481 0.181 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.31 -17.77 29.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -85.64 -3.29 58.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.48 -41.36 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -62.41 -28.09 69.54 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.4 ptp -57.72 -16.96 12.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -83.95 -52.17 6.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.25 -48.03 54.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.41 -64.38 0.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.505 ' CE2' ' HB2' ' A' ' 75' ' ' MET . 2.5 t80 -37.93 -33.32 0.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.168 . . . . 0.0 110.988 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.544 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.7 ttm -69.19 -55.57 10.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.9 77.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.03 -71.49 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.37 -62.36 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.24 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 11' ' ' MET . 47.7 t -40.42 -46.41 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -49.59 76.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.496 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 47.2 mtt -58.84 -31.89 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.67 -63.14 4.25 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.682 HD12 ' N ' ' A' ' 20' ' ' ALA . 2.6 pp -56.03 -58.81 6.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.682 ' N ' HD12 ' A' ' 19' ' ' LEU . . . -46.56 -61.91 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.217 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -44.21 -56.39 4.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 109.327 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.7 mt -48.11 -46.84 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.32 -65.39 2.57 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.476 ' O ' HD12 ' A' ' 28' ' ' ILE . 8.3 t0 -56.27 -61.35 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.804 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -40.89 -29.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.511 HG23 HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -79.23 -50.91 17.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.76 -45.35 0.53 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.456 1.098 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.731 HG22 HG13 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -75.62 -50.59 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -44.91 -51.53 8.3 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.511 HD13 HG23 ' A' ' 26' ' ' ILE . 1.4 mp -67.89 -31.12 50.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -43.57 92.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.91 -31.6 55.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.06 -43.36 8.81 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.53 -9.9 46.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.418 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 2.3 t80 -92.45 -31.69 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.679 HD12 HD11 ' A' ' 49' ' ' LEU . 4.7 tp -42.33 -60.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.24 -36.91 82.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.79 -34.63 78.46 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.803 ' HB3' HD22 ' A' ' 49' ' ' LEU . . . -96.64 -12.45 23.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.612 0.83 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.85 -28.71 67.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.68 -0.75 57.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.428 ' CB ' ' HB2' ' A' ' 45' ' ' LEU . 7.9 mm100 -114.79 104.39 54.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.516 ' HA ' HD12 ' A' ' 46' ' ' ILE . 18.3 Cg_endo -74.97 0.73 8.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.539 1.81 . . . . 0.0 110.97 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.77 13.14 9.92 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.428 ' HB2' ' CB ' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -131.41 15.32 5.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -72.32 -51.79 7.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.1 Cg_endo -75.01 -1.03 10.69 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 48' ' ' LEU . 14.3 mt -99.55 -51.02 3.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.803 HD22 ' HB3' ' A' ' 39' ' ' ALA . 0.1 OUTLIER -53.92 -50.26 66.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.419 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -58.56 -66.01 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.8 m -38.64 -47.38 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.399 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.83 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -60.56 -54.82 40.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.365 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -44.59 -59.75 2.32 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -43.21 -51.54 6.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 110.962 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.0 mt -62.44 -39.57 84.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.462 1.101 . . . . 0.0 109.242 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 52' ' ' GLN . 52.0 t -58.92 -66.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 mtt -42.58 -31.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 62' ' ' ALA . . . -74.88 -41.5 33.22 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -78.72 -7.27 57.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.539 0.787 . . . . 0.0 109.272 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.804 HG22 ' O ' ' A' ' 25' ' ' ALA . 62.5 t -88.05 -38.23 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.472 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 2.8 m-20 -94.17 -10.45 33.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.504 ' O ' HD12 ' A' ' 66' ' ' ILE . . . -92.87 -39.63 11.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.581 ' CG2' ' HB2' ' A' ' 25' ' ' ALA . 1.6 mt -49.77 -49.19 74.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.05 -53.52 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.559 1.821 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.406 ' HB2' ' O ' ' A' ' 61' ' ' ASN . 2.8 mtm -42.41 -47.09 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.043 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.504 HD12 ' O ' ' A' ' 62' ' ' ALA . 8.2 mt -75.54 -30.82 22.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.439 1.087 . . . . 0.0 109.276 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 64' ' ' PRO . . . -61.86 -71.07 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.113 . . . . 0.0 109.36 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.0 t -66.57 -27.66 40.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.35 -61.18 7.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.12 -52.04 67.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.751 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -46.87 -45.23 18.92 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.554 1.159 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' A' ' 72' ' ' LEU . 1.9 mt -65.05 -60.52 2.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.764 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -40.37 -44.89 2.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.3 -44.12 98.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.505 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 4.4 ttt -59.47 -40.23 86.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -80.62 -12.97 59.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.88 -47.48 45.57 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.0 p -72.77 -31.48 36.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.153 . . . . 0.0 109.36 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.479 0.18 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -103.23 -9.67 19.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -138.76 23.76 2.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.98 -46.32 2.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.44 -43.64 3.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -51.05 22.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.58 -48.02 57.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.394 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.6 -53.94 44.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.86 -51.4 56.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.268 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.554 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.9 m-30 -52.3 -50.23 62.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 111.077 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.628 ' O ' HG23 ' A' ' 15' ' ' VAL . 21.6 ttt -45.82 -52.52 11.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.77 -24.62 66.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 10' ' ' TYR . . . -76.23 -72.3 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.58 -54.29 9.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.232 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 11' ' ' MET . 79.5 t -47.69 -48.21 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.6 mtp -59.4 -55.95 28.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.6 mtp -51.64 -36.4 45.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 19' ' ' LEU . . . -66.36 -73.93 0.58 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' GLY . 0.7 OUTLIER -39.72 -53.86 2.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 0.797 . . . . 0.0 109.256 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.21 -55.77 18.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.506 ' HB1' HG22 ' A' ' 63' ' ' ILE . . . -50.24 -62.69 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.5 mt -43.21 -45.45 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.02 -63.86 3.95 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.48 1.112 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.504 ' O ' HD12 ' A' ' 28' ' ' ILE . 3.5 t70 -58.84 -60.99 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.721 ' HB1' HG13 ' A' ' 60' ' ' VAL . . . -41.27 -29.2 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.433 ' N ' ' C ' ' A' ' 24' ' ' ASP . 0.3 OUTLIER -77.56 -51.91 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.628 1.205 . . . . 0.0 109.263 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -35.01 -46.32 0.64 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.56 1.163 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.529 HD13 HG22 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -73.92 -52.22 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.451 0.736 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -43.86 -53.61 6.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.118 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.0 mm -65.75 -29.67 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.382 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' ILE . 0.6 OUTLIER -59.68 -48.15 82.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.225 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.528 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -50.58 -37.63 33.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.68 -41.14 35.86 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -8.26 54.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.567 ' HD2' HD23 ' A' ' 49' ' ' LEU . 4.4 t80 -98.1 -33.17 11.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.5 tp -52.91 -46.45 68.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.819 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 1.2 tt0 -66.36 -42.4 88.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.254 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.09 -62.64 5.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.02 -16.09 28.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.819 ' HB3' ' O ' ' A' ' 37' ' ' GLU . . . -53.05 -23.85 8.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -35.12 74.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.222 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.857 ' HG3' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -120.1 118.3 31.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 0.37 9.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.533 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -101.42 11.13 39.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.857 HD13 ' HG3' ' A' ' 42' ' ' GLN . 6.3 mp -136.94 12.07 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.497 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 1.1 mt -77.66 -53.08 1.58 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.4 Cg_endo -75.05 0.72 8.59 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.549 1.815 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.4 mp -95.57 -61.39 1.47 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.921 HD13 ' N ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -67.49 -32.99 74.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 109.376 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.921 ' N ' HD13 ' A' ' 49' ' ' LEU . 1.2 ttm-85 -60.19 -66.74 0.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 110.312 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.9 m -46.13 -37.73 7.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.384 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -52.89 62.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.363 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.528 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 28.3 t80 -48.94 -35.32 14.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -62.55 -58.33 7.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mt -59.21 -34.76 54.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.482 ' O ' HG23 ' A' ' 60' ' ' VAL . 23.3 t -69.33 -32.41 53.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -52.62 64.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.442 1.089 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.71 -63.07 5.61 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.57 1.169 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.528 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 0.8 OUTLIER -48.45 -44.56 35.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 0.782 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.721 HG13 ' HB1' ' A' ' 25' ' ' ALA . 2.7 t -56.89 -42.74 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.445 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 2.5 m120 -78.31 -2.71 39.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.564 ' O ' HD12 ' A' ' 66' ' ' ILE . . . -91.26 -25.34 19.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.506 HG22 ' HB1' ' A' ' 21' ' ' ALA . 1.0 OUTLIER -58.58 -52.88 71.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.367 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.98 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -46.89 -43.26 18.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.564 HD12 ' O ' ' A' ' 62' ' ' ALA . 8.7 mt -79.71 -29.34 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 64' ' ' PRO . . . -63.99 -69.57 0.27 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.613 1.196 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.6 t -67.63 -31.48 52.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.51 -57.09 6.79 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.453 1.095 . . . . 0.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -69.67 -56.67 6.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.425 0.721 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -38.34 -39.04 0.69 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.89 -64.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -37.49 -40.97 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.7 t -68.65 -62.51 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -48.35 -22.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.95 -30.65 14.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.04 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.36 -52.17 55.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 79' ' ' ALA . 9.5 p -59.99 -47.37 92.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.411 ' N ' HG13 ' A' ' 78' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.54 0.21 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -131.69 9.19 4.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -155.51 32.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.355 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.8 tp -139.49 -62.63 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -81.87 -40.43 22.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.3 mtp -50.27 -54.01 24.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.424 1.078 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -40.35 -45.84 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.69 -65.5 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.28 -63.68 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -37.64 -52.22 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.5 ttp -51.45 -61.19 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.31 -42.41 52.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 14' ' ' ALA . . . -60.67 -78.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -39.15 -62.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.632 ' O ' HD13 ' A' ' 19' ' ' LEU . 23.8 t -40.21 -54.48 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.6 mmm -56.17 -46.03 79.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.2 mtt -57.97 -60.49 3.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.461 1.1 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.477 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -47.28 -42.38 17.65 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.143 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 15' ' ' VAL . 9.4 mp -62.07 -69.86 0.23 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 0.773 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.83 -63.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.8 -58.35 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.356 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 18' ' ' GLY . 28.8 mt -45.11 -49.19 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.37 -63.72 3.54 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.493 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.47 -63.41 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.717 ' HB1' HG13 ' A' ' 60' ' ' VAL . . . -40.53 -29.65 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.371 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.447 ' N ' ' C ' ' A' ' 24' ' ' ASP . 0.2 OUTLIER -78.64 -51.15 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.335 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.88 -45.68 0.57 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.493 HD12 ' O ' ' A' ' 24' ' ' ASP . 0.3 OUTLIER -75.2 -49.59 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.567 0.804 . . . . 0.0 109.215 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' ILE . . . -45.28 -50.96 9.49 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.485 1.116 . . . . 0.0 111.042 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mm -68.7 -30.13 46.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.421 0.718 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.57 -40.05 95.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.565 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -55.18 -36.36 61.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.44 1.088 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -78.89 -40.5 17.03 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -68.44 -9.31 47.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 0.765 . . . . 0.0 109.373 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.729 ' CD2' HD12 ' A' ' 49' ' ' LEU . 1.4 t80 -94.55 -31.17 14.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.618 ' HA ' HD11 ' A' ' 49' ' ' LEU . 61.1 mt -53.6 -47.95 69.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 109.309 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.693 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 0.8 OUTLIER -67.01 -38.52 86.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.02 -54.85 30.16 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.792 ' CB ' HD13 ' A' ' 49' ' ' LEU . . . -66.12 -16.8 64.26 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 0.749 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 37' ' ' GLU . . . -53.45 -20.92 5.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.48 -27.14 60.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.43 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -116.95 110.68 41.49 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.95 0.3 9.05 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.543 1.812 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.25 12.8 23.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.43 ' HB2' ' CG ' ' A' ' 42' ' ' GLN . 3.3 mp -133.56 10.08 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.672 ' O ' HD23 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -76.42 -52.4 2.3 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.3 Cg_endo -74.95 0.22 9.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 mp -99.14 -56.14 2.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.792 HD13 ' CB ' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -60.83 -39.43 89.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.588 ' H ' HD23 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -58.09 -62.25 1.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.132 . . . . 0.0 110.252 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.4 m -38.73 -57.12 1.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.376 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.778 ' O ' HG23 ' A' ' 56' ' ' VAL . 2.0 mt-30 -56.18 -60.52 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.252 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.565 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 7.4 t80 -40.76 -41.6 1.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -57.02 -60.79 3.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 111.046 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.2 mt -56.73 -34.8 43.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 52' ' ' GLN . 46.1 t -61.56 -50.51 80.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.7 ttt -50.27 -39.31 44.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 111.011 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 61' ' ' ASN . . . -63.48 -69.95 1.18 Allowed Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.427 1.08 . . . . 0.0 110.948 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.548 ' HA ' ' HB3' ' A' ' 62' ' ' ALA . 1.1 pp -44.38 -43.91 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 0.807 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.717 HG13 ' HB1' ' A' ' 25' ' ' ALA . 2.7 t -52.21 -40.98 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' GLY . 3.9 m120 -81.73 -19.53 41.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.549 ' O ' HD12 ' A' ' 66' ' ' ILE . . . -86.1 -1.97 57.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.245 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.436 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -77.18 -56.08 1.28 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.97 -39.05 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.805 . . . . 0.0 111.065 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.4 ttt -59.53 -46.55 88.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.549 HD12 ' O ' ' A' ' 62' ' ' ALA . 69.0 mt -75.03 -29.02 21.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 63' ' ' ILE . . . -68.04 -72.55 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.72 -33.65 55.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.13 -50.33 55.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.7 -62.26 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.747 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -41.16 -47.02 4.32 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.516 1.135 . . . . 0.0 111.05 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 72' ' ' LEU . 2.0 mt -63.64 -63.32 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 1.9 t80 -37.91 -41.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.8 t -66.71 -50.45 65.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -55.7 -54.85 39.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.931 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.19 -44.39 97.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 73' ' ' TYR . . . -46.6 -69.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.2 p -59.78 -36.71 67.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ttt . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.477 0.18 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 64.41 11.99 6.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.74 25.3 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 tp -112.37 -48.84 2.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 8' ' ' LEU . 2.2 t30 -106.01 -64.48 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.16 -52.5 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -42.24 -41.72 2.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 5' ' ' ASN . 0.6 OUTLIER -62.14 -69.4 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.54 -63.45 0.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.356 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.488 ' CD2' ' SD ' ' A' ' 75' ' ' MET . 48.6 t80 -37.86 -54.2 1.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.64 ' O ' HG23 ' A' ' 15' ' ' VAL . 8.1 ttt -45.74 -51.09 13.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.0 -48.65 75.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.7 -73.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.78 -63.84 0.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 11' ' ' MET . 54.9 t -40.17 -54.16 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -47.98 64.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.6 mtt -57.54 -42.41 82.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.155 . . . . 0.0 111.027 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.61 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -55.16 -40.51 75.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.7 -68.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 0.724 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.18 -62.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.31 -53.85 3.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.061 . . . . 0.0 109.233 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.61 HD12 ' O ' ' A' ' 18' ' ' GLY . 10.6 mt -48.84 -49.41 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.9 -64.64 2.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.532 ' O ' HD12 ' A' ' 28' ' ' ILE . 4.4 t70 -55.0 -63.55 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.821 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -40.0 -29.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.364 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.847 HG23 HD13 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -78.89 -52.04 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.08 . . . . 0.0 109.288 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.65 -44.07 0.43 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.787 HG22 HG13 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -75.53 -48.75 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 0.764 . . . . 0.0 109.282 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 26' ' ' ILE . . . -49.29 -48.44 33.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.847 HD13 HG23 ' A' ' 26' ' ' ILE . 1.7 mp -67.81 -31.93 54.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.472 HD23 HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -58.46 -56.94 15.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.407 ' N ' ' HG ' ' A' ' 31' ' ' LEU . . . -46.2 -29.44 3.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.566 1.166 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.78 -38.18 8.91 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.46 -2.04 30.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 0.797 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -94.84 -27.54 15.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.79 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 5.1 tp -56.96 -31.95 65.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.379 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.82 -29.12 16.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.75 -52.84 8.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.74 ' HB3' HD22 ' A' ' 49' ' ' LEU . . . -79.46 1.19 26.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.79 ' HB2' ' O ' ' A' ' 36' ' ' LEU . . . -69.87 -18.68 63.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -79.36 -17.51 54.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.577 ' CB ' HD23 ' A' ' 45' ' ' LEU . 5.4 mm-40 -114.71 113.26 44.95 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 110.305 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 0.25 9.08 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.727 ' C ' HD22 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -109.48 13.19 24.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.727 HD22 ' C ' ' A' ' 44' ' ' ASP . 2.3 mm? -120.9 17.68 11.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.497 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.6 OUTLIER -76.25 -52.46 2.41 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.4 Cg_endo -75.03 -1.01 10.67 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 48' ' ' LEU . 13.8 mt -107.53 -65.72 1.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.74 HD22 ' HB3' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -45.86 -45.09 14.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.627 ' N ' HD12 ' A' ' 49' ' ' LEU . 6.0 mtm180 -59.16 -70.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.7 m -38.87 -47.78 1.47 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.375 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 53' ' ' PHE . 15.1 mt-30 -52.45 -62.43 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 52' ' ' GLN . 9.5 t80 -37.79 -63.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -37.47 -55.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.3 mt -59.41 -52.37 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.604 1.19 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.787 HG13 HG22 ' A' ' 28' ' ' ILE . 24.4 t -45.12 -61.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -36.49 4.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.33 -53.93 19.06 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.594 ' HA ' ' HB3' ' A' ' 62' ' ' ALA . 0.2 OUTLIER -64.12 -17.36 63.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 109.235 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.821 HG22 ' O ' ' A' ' 25' ' ' ALA . 5.5 t -73.47 -42.63 56.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.457 ' O ' ' CB ' ' A' ' 65' ' ' MET . 3.7 m-20 -90.74 -2.07 57.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.594 ' HB3' ' HA ' ' A' ' 59' ' ' LEU . . . -92.68 -34.12 14.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.504 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -56.8 -52.07 76.59 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.98 -48.74 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.457 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 12.1 ttt -49.24 -43.29 42.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 62' ' ' ALA . 14.8 mt -78.59 -28.87 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.413 ' HB3' ' HA ' ' A' ' 64' ' ' PRO . . . -65.4 -70.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.56 -28.27 43.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.12 -51.53 55.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.438 1.086 . . . . 0.0 111.055 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.32 -56.33 13.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 0.75 . . . . 0.0 109.324 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -43.39 -47.58 6.95 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 72' ' ' LEU . 2.5 mt -63.56 -61.98 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 0.779 . . . . 0.0 109.353 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -38.41 -42.73 0.76 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.54 -61.63 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.488 ' SD ' ' CD2' ' A' ' 10' ' ' TYR . 4.2 tpt -44.0 -50.97 8.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -65.6 -43.23 90.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.67 -69.11 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.49 -31.32 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mtt . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.494 0.188 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -139.47 13.22 2.56 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.0 42.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -164.77 -45.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -67.57 -38.58 84.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.2 -17.77 28.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -77.41 -41.57 39.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.56 -59.03 4.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.444 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 6.7 tt -47.74 -56.85 6.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -47.99 -60.71 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.643 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.5 ttp -49.49 -41.5 40.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -57.16 -52.47 65.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.81 -66.62 0.51 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 17' ' ' MET . . . -40.15 -67.35 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 11' ' ' MET . 78.3 t -40.38 -48.54 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -44.25 78.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.482 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 33.2 mtp -65.25 -32.8 74.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.94 -64.85 3.6 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.514 HD12 ' N ' ' A' ' 20' ' ' ALA . 0.7 OUTLIER -50.48 -68.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 0.722 . . . . 0.0 109.225 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.514 ' N ' HD12 ' A' ' 19' ' ' LEU . . . -40.1 -61.24 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -42.87 -63.79 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.4 mt -43.99 -43.64 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.4 ' O ' ' HB ' ' A' ' 26' ' ' ILE . . . -49.24 -67.49 1.72 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -58.73 -58.85 6.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.62 ' HB2' HG21 ' A' ' 63' ' ' ILE . . . -40.9 -29.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -78.43 -50.85 18.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.363 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.38 -46.31 0.53 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.457 1.098 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.485 HD12 ' H ' ' A' ' 28' ' ' ILE . 0.3 OUTLIER -76.11 -47.7 30.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.489 0.758 . . . . 0.0 109.34 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 26' ' ' ILE . . . -47.11 -54.06 10.19 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 23.8 mm -65.52 -31.44 53.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.05 -46.42 85.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.571 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -50.74 -37.76 35.29 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.55 -41.95 28.34 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -71.95 -6.2 40.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.727 ' CD2' HD12 ' A' ' 49' ' ' LEU . 1.4 t80 -90.83 -30.11 17.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.996 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.695 ' HA ' HD11 ' A' ' 49' ' ' LEU . 2.2 mm? -53.62 -50.39 65.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.598 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 1.3 mp0 -63.65 -42.76 98.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.415 1.072 . . . . 0.0 110.228 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.53 -42.9 97.89 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.871 ' HB3' HD13 ' A' ' 49' ' ' LEU . . . -88.18 12.73 12.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 0.739 . . . . 0.0 109.207 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 37' ' ' GLU . . . -87.23 -14.16 41.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.26 -32.95 59.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.695 ' HG3' HD13 ' A' ' 45' ' ' LEU . 1.7 pm0 -126.32 121.79 23.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.375 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.11 0.83 8.47 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.809 . . . . 0.0 110.934 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.6 8.76 41.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.695 HD13 ' HG3' ' A' ' 42' ' ' GLN . 0.4 OUTLIER -132.51 10.26 4.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.484 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 1.1 mt -76.09 -52.76 2.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.1 Cg_endo -75.0 0.05 9.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.476 1.777 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -101.1 -54.46 2.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.871 HD13 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -67.74 -34.08 76.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.1 ttm-85 -57.91 -71.31 0.11 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.8 m -40.13 -51.98 2.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.37 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.614 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.8 mt-30 -51.82 -62.93 1.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 10.2 t80 -37.49 -62.68 0.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -37.48 -59.35 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.2 mt -57.07 -49.66 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.229 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 52' ' ' GLN . 59.9 t -47.33 -44.7 9.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.1 ttt -54.5 -49.08 71.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 111.048 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.99 -46.77 93.38 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.658 ' O ' HD23 ' A' ' 59' ' ' LEU . 3.9 tt -61.73 -33.39 73.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 0.736 . . . . 0.0 109.251 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 25' ' ' ALA . 3.7 t -62.67 -39.78 85.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.408 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 3.7 m-20 -85.88 -5.39 59.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.609 ' O ' HD12 ' A' ' 66' ' ' ILE . . . -90.92 -19.4 23.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.371 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.62 HG21 ' HB2' ' A' ' 25' ' ' ALA . 1.2 mt -67.0 -54.35 20.93 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.5 Cg_endo -75.0 -39.77 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.414 1.744 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.4 -39.04 82.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 62' ' ' ALA . 60.8 mt -80.56 -28.99 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.24 -71.12 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.7 t -61.61 -28.58 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.03 -58.99 11.7 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.46 -54.65 43.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -48.03 -43.88 25.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.544 ' HA ' HD23 ' A' ' 72' ' ' LEU . 3.1 mt -64.23 -64.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -38.8 -44.78 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.58 -49.64 82.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.435 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 3.2 tmm? -54.65 -58.56 7.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -54.25 -47.02 72.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -47.44 -70.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.41 HG23 ' N ' ' A' ' 79' ' ' ALA . 18.1 m -57.77 -45.59 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 75' ' ' MET . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtm . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.558 0.218 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -84.97 -5.59 59.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -157.1 25.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.075 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 mp -122.97 -48.44 2.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.03 -36.28 6.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -46.43 75.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -42.94 -45.76 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tt -57.86 -63.91 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.587 1.179 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -45.99 -64.56 0.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.365 1.041 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.477 ' CE2' ' HG3' ' A' ' 75' ' ' MET . 31.1 t80 -38.12 -57.36 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.489 ' O ' HG23 ' A' ' 15' ' ' VAL . 20.1 ttp -45.5 -49.79 13.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.12 -35.39 69.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.462 ' HB1' ' CE ' ' A' ' 17' ' ' MET . . . -71.93 -71.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.78 -62.53 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.646 ' O ' HD13 ' A' ' 19' ' ' LEU . 67.6 t -41.9 -53.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -41.79 74.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.598 1.186 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.462 ' CE ' ' HB1' ' A' ' 13' ' ' ALA . 25.0 mtt -64.49 -63.31 1.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.644 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -42.5 -42.55 4.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.646 HD13 ' O ' ' A' ' 15' ' ' VAL . 8.0 mp -58.48 -70.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.91 -60.01 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.29 -54.49 3.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 109.356 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.644 HD12 ' O ' ' A' ' 18' ' ' GLY . 18.0 mt -51.26 -45.47 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.97 -64.61 3.16 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.477 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.9 t70 -55.95 -61.42 2.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.766 ' O ' HG13 ' A' ' 60' ' ' VAL . . . -41.6 -28.54 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.153 . . . . 0.0 109.233 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.792 HG23 HD13 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -79.32 -50.73 17.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -35.7 -44.57 0.69 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.55 1.156 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 24' ' ' ASP . 0.3 OUTLIER -76.17 -49.71 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.19 -50.34 9.57 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.792 HD13 HG23 ' A' ' 26' ' ' ILE . 1.7 mp -69.0 -31.92 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.32 -38.97 88.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.27 -37.87 55.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 111.065 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.26 -32.64 22.35 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.49 -1.88 29.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' LEU . 2.0 t80 -91.45 -32.14 15.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' N ' HD21 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -39.5 -33.67 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -101.22 -44.7 5.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.3 -24.04 14.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.836 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . . . -95.99 -24.8 16.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 0.796 . . . . 0.0 109.277 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.39 -29.0 9.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.248 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -35.21 44.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.465 ' HG3' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -123.49 124.35 26.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.559 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 18.4 Cg_endo -75.03 -1.12 10.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.465 1.771 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.94 14.47 28.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.411 1.069 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.495 HD23 ' HB2' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -128.71 25.06 5.7 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.559 ' CD1' ' HA ' ' A' ' 43' ' ' PRO . 1.2 mp -75.07 -51.93 3.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.5 Cg_endo -74.98 -18.56 18.68 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.495 ' HB2' HD23 ' A' ' 45' ' ' LEU . 17.6 mt -85.41 -27.58 25.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.836 ' CD1' ' HB3' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -52.92 -71.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 51' ' ' THR . 2.3 mtm180 -50.83 -59.39 4.16 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.5 1.125 . . . . 0.0 110.191 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' ARG . 19.4 m -38.03 -46.54 1.01 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.575 1.172 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.52 -54.5 38.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 54' ' ' PHE . 28.5 t80 -48.9 -64.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -37.2 -56.51 0.93 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.434 1.083 . . . . 0.0 111.012 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.3 mt -56.79 -50.52 74.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.472 ' O ' HG23 ' A' ' 60' ' ' VAL . 17.4 t -50.62 -66.25 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.22 -29.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.81 -43.74 21.97 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -77.62 -8.54 58.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.766 HG13 ' O ' ' A' ' 25' ' ' ALA . 55.8 t -85.45 -40.65 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.489 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 3.3 m-20 -90.25 -16.61 29.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 109.351 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -86.72 -43.8 12.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.675 ' CG2' ' HB2' ' A' ' 25' ' ' ALA . 1.0 OUTLIER -39.31 -52.58 4.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.581 1.176 . . . . 0.0 109.321 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.06 -39.44 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.563 1.823 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.7 tpt -49.56 -55.28 14.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.7 mt -70.33 -30.88 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' ' 64' ' ' PRO . . . -59.05 -71.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.1 t -63.36 -29.36 47.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.77 -53.16 41.11 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.05 -55.55 21.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.781 . . . . 0.0 109.356 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.59 -43.68 7.98 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 75' ' ' MET . 2.4 mt -66.82 -63.41 1.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.753 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.47 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 2.6 t80 -37.78 -41.12 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.1 t -67.83 -50.34 60.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.477 ' HG3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -56.48 -57.74 11.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 111.038 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.749 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 79.3 t80 -57.55 -51.35 69.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 73' ' ' TYR . . . -40.6 -65.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.6 p -62.77 -39.88 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.749 ' HB2' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 tpp . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.477 0.18 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -79.36 -22.47 44.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -87.72 -2.67 58.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.409 ' HA ' ' OD1' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -43.55 -41.59 4.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -42.51 -34.95 0.93 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.616 1.197 . . . . 0.0 109.281 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.409 ' C ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.94 -69.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.522 ' HA ' ' CD1' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -49.52 -23.16 1.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.409 ' N ' ' C ' ' A' ' 6' ' ' MET . 1.0 OUTLIER -58.92 -59.41 5.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.29 -48.19 24.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.522 ' CD1' ' HA ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -50.16 -34.44 22.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.402 1.064 . . . . 0.0 111.033 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.512 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 35.5 ttm -70.75 -56.74 5.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.0 -21.62 3.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.47 -79.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.15 -52.16 7.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.5 t -46.34 -54.44 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.406 1.066 . . . . 0.0 109.364 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.0 mtt -52.99 -43.71 66.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.409 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 17.8 mtp -62.23 -44.77 95.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.399 1.062 . . . . 0.0 111.009 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.465 ' O ' ' CG1' ' A' ' 22' ' ' ILE . . . -60.23 -43.23 98.69 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mp -62.9 -68.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 0.802 . . . . 0.0 109.264 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' GLY . . . -46.28 -61.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -44.75 -54.74 5.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.465 ' CG1' ' O ' ' A' ' 18' ' ' GLY . 34.7 mt -51.61 -37.34 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' ALA . . . -56.97 -63.87 4.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.476 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -57.69 -59.06 5.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.788 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -42.18 -28.45 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.745 HG23 HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -79.21 -51.17 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' ILE . . . -35.28 -44.91 0.61 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.494 HG22 ' CG1' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -75.95 -51.52 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.404 ' CA ' HG21 ' A' ' 60' ' ' VAL . . . -43.49 -52.99 6.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.745 HD13 HG23 ' A' ' 26' ' ' ILE . 1.6 mp -66.57 -32.64 58.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.3 -46.96 79.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.17 -38.19 25.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.9 -38.81 26.03 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -76.58 -1.86 29.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 0.78 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 6.5 t80 -97.74 -38.84 9.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.1 tp -46.92 -57.19 5.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 2.6 mt-10 -61.22 -31.68 71.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.08 -47.05 48.0 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.557 1.161 . . . . 0.0 111.051 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.481 ' HB3' ' HG ' ' A' ' 49' ' ' LEU . . . -76.27 -15.38 60.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 37' ' ' GLU . . . -56.73 -18.48 12.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -34.39 78.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.638 ' HG3' HD13 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -117.44 118.11 35.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.38 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -2.0 11.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.537 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -101.88 12.77 36.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.391 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.638 HD13 ' HG3' ' A' ' 42' ' ' GLN . 7.5 mp -131.85 18.07 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.382 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.522 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.8 OUTLIER -76.08 -51.59 2.74 Favored Pre-proline 0 C--N 1.327 -0.386 0 O-C-N 124.4 1.062 . . . . 0.0 109.237 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.2 Cg_endo -74.95 0.51 8.8 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.488 1.783 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -100.1 -63.36 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.881 HD13 ' N ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -55.12 -26.86 41.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.881 ' N ' HD13 ' A' ' 49' ' ' LEU . 9.7 mtp180 -71.71 -53.98 11.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.766 ' O ' HD12 ' A' ' 55' ' ' ILE . 22.4 m -53.86 -54.83 33.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.379 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.724 ' O ' HG23 ' A' ' 56' ' ' VAL . 6.1 pt20 -57.44 -44.06 84.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.416 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 5.2 t80 -55.6 -52.34 64.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 111.049 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -46.16 -53.92 9.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.766 HD12 ' O ' ' A' ' 51' ' ' THR . 2.9 mp -58.95 -48.37 86.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 52' ' ' GLN . 73.3 t -48.36 -48.4 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 9.4 tmm? -52.32 -46.43 66.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.53 -45.14 93.93 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.547 ' HA ' ' HB3' ' A' ' 62' ' ' ALA . 2.1 tt -62.71 -32.57 73.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 0.809 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.788 HG22 ' O ' ' A' ' 25' ' ' ALA . 4.6 t -64.18 -38.08 81.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 65' ' ' MET . 3.5 m-20 -91.43 -1.68 57.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.547 ' HB3' ' HA ' ' A' ' 59' ' ' LEU . . . -92.83 -40.83 10.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.8 mt -52.26 -50.55 78.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.04 -52.64 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.801 . . . . 0.0 110.972 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.461 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 3.6 ttt -46.02 -39.26 8.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.05 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.527 HD12 ' O ' ' A' ' 62' ' ' ALA . 7.6 mt -83.13 -28.46 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 64' ' ' PRO . . . -65.38 -68.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.7 t -67.08 -24.99 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.595 1.185 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.97 -54.64 35.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.38 -57.63 9.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -41.0 -45.74 3.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.515 ' HA ' HD23 ' A' ' 72' ' ' LEU . 2.2 mt -64.06 -61.81 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -39.91 -45.35 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 38.3 t -60.71 -62.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.52 ' HG3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -40.16 -54.0 2.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 111.013 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -62.52 -48.56 79.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.072 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.89 -56.57 5.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.43 -34.72 49.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.105 . . . . 0.0 109.246 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 75' ' ' MET . . . . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mtt . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.572 0.225 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -133.54 10.83 4.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.319 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -163.12 30.28 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.424 1.078 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.57 -57.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -84.56 -44.79 13.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.83 -62.76 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -50.34 -46.1 55.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.53 -71.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 tt -40.72 -52.46 2.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -46.49 -58.13 4.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.636 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.6 ttt -42.81 -47.52 5.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.14 -49.31 74.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.41 -72.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.94 -64.78 0.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 11' ' ' MET . 60.6 t -40.38 -53.96 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -51.93 -49.23 63.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.4 mtp -55.12 -48.61 73.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.505 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -51.42 -37.0 39.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.919 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.7 mt -62.68 -69.71 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.441 0.73 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.33 -57.64 2.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.87 -62.23 1.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.505 HD12 ' O ' ' A' ' 18' ' ' GLY . 40.7 mt -44.07 -45.62 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.403 1.064 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.31 -67.56 1.58 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.448 1.092 . . . . 0.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.487 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -56.62 -59.25 5.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.746 . . . . 0.0 109.248 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.473 ' O ' HG13 ' A' ' 60' ' ' VAL . . . -41.46 -28.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.693 HG23 HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -79.07 -50.96 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.389 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -35.57 -44.49 0.65 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.677 HD13 HG22 ' A' ' 60' ' ' VAL . 0.3 OUTLIER -76.04 -50.79 21.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.54 0.788 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.36 -52.73 8.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.693 HD13 HG23 ' A' ' 26' ' ' ILE . 1.7 mp -66.03 -32.09 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.779 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.41 -45.89 87.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.413 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -50.59 -39.45 37.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.615 1.197 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.52 -43.51 36.74 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -69.45 -8.39 46.31 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.528 0.781 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.549 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 2.3 t80 -93.6 -31.75 14.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 111.053 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' ALA . 2.4 mt -55.33 -56.29 21.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.638 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -53.45 -44.04 68.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.27 -48.36 79.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.598 1.186 . . . . 0.0 111.067 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.525 ' HB3' ' HG ' ' A' ' 49' ' ' LEU . . . -78.49 -2.21 37.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 37' ' ' GLU . . . -66.93 -13.51 61.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -100.06 -2.19 34.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.422 ' CB ' ' HB2' ' A' ' 45' ' ' LEU . 23.4 mm-40 -114.94 102.33 54.81 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.18 9.66 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.441 1.759 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.06 13.13 12.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.609 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -132.69 11.58 4.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.199 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.496 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.7 OUTLIER -76.29 -52.62 2.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.2 Cg_endo -75.01 -2.86 13.1 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.498 1.788 . . . . 0.0 111.031 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.42 -64.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.004 HD13 ' N ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -57.22 -26.58 60.95 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 1.004 ' N ' HD13 ' A' ' 49' ' ' LEU . 5.5 ttm-85 -74.82 -66.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.1 m -44.1 -41.27 5.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.524 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -67.78 -50.18 58.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.413 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 12.9 t80 -50.53 -43.96 56.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -57.39 -54.4 47.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.8 mt -62.35 -30.26 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 52' ' ' GLN . 38.7 t -69.9 -36.75 70.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.4 ' O ' ' OD1' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -59.4 -47.8 84.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 111.004 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.6 -63.38 4.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.429 1.081 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.588 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -47.34 -44.34 23.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.677 HG22 HD13 ' A' ' 28' ' ' ILE . 2.4 t -56.29 -47.2 81.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.355 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.417 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 5.8 m120 -75.01 -2.93 29.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 59' ' ' LEU . . . -90.26 -26.17 20.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.468 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -58.06 -54.55 54.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.06 -47.19 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.494 1.786 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -38.45 59.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.136 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.408 ' CG1' ' O ' ' A' ' 62' ' ' ALA . 69.8 mt -82.88 -27.9 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.59 -64.08 0.94 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.658 HG12 HD23 ' A' ' 72' ' ' LEU . 7.6 t -56.97 -58.77 4.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.545 ' HA2' HD21 ' A' ' 72' ' ' LEU . . . -38.14 -41.57 1.05 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.548 ' O ' HG23 ' A' ' 74' ' ' VAL . 1.9 mt -66.18 -51.71 55.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.786 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -56.41 -54.45 35.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -59.83 -41.92 92.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.62 0.835 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.686 ' N ' HD12 ' A' ' 72' ' ' LEU . 9.5 t80 -57.75 -41.84 82.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 70' ' ' LEU . 42.7 t -57.81 -45.46 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.8 ttp -58.2 -51.37 70.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -65.2 -32.34 73.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.43 -61.63 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.9 p -70.49 -18.37 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 mpp? . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.509 0.195 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -114.58 -4.8 12.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -138.68 15.45 2.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.93 -51.58 2.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -64.61 -48.37 75.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.09 -50.73 14.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -45.08 -49.79 11.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.445 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -57.15 -65.89 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.445 ' N ' HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -40.44 -66.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -37.7 -58.69 0.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.627 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.4 ttm -43.32 -51.23 6.43 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.73 -48.44 79.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.75 -74.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 15' ' ' VAL . . . -39.57 -65.19 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 11' ' ' MET . 58.2 t -40.05 -53.95 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.3 ttt -54.22 -45.05 72.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.4 mtp -62.69 -37.07 85.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.97 -67.64 1.94 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 20' ' ' ALA . 3.1 pp -47.95 -47.31 32.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.236 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.591 ' N ' HD12 ' A' ' 19' ' ' LEU . . . -55.09 -56.19 22.58 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.557 ' HB1' ' CG2' ' A' ' 63' ' ' ILE . . . -51.47 -62.9 1.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.4 mt -44.25 -43.02 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.565 1.166 . . . . 0.0 109.35 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.43 -66.19 2.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.571 1.169 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.484 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -57.72 -60.41 3.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 0.739 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.778 ' HB1' HG13 ' A' ' 60' ' ' VAL . . . -40.96 -30.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -78.17 -50.93 18.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 26' ' ' ILE . . . -34.03 -46.16 0.46 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.484 HD12 ' O ' ' A' ' 24' ' ' ASP . 0.4 OUTLIER -75.31 -50.78 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.11 -53.85 7.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.61 1.194 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.5 mm -65.44 -31.05 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.48 0.753 . . . . 0.0 109.35 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.7 -49.08 77.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.448 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -52.62 -35.68 46.29 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.59 -41.72 42.7 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -73.24 -11.74 60.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.746 . . . . 0.0 109.322 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' ALA . 3.9 t80 -98.12 -32.34 11.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.8 tp -47.14 -40.27 15.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.13 -37.97 23.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.28 -0.3 61.38 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.433 1.083 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.475 ' CB ' ' HG ' ' A' ' 49' ' ' LEU . . . -114.76 -36.75 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 0.806 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.72 -24.68 1.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 39' ' ' ALA . 3.8 mtt180 -52.4 -35.24 51.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.6 118.0 29.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -1.09 10.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.415 1.745 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.36 10.74 40.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.597 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.0 tp -142.03 15.99 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.474 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 1.0 OUTLIER -77.54 -53.82 1.51 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.229 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.2 Cg_endo -74.97 0.83 8.42 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' A' ' 48' ' ' LEU . 1.8 mm? -93.2 -65.39 1.0 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.433 1.083 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.931 HD13 ' N ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -64.32 -35.13 79.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.931 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -60.61 -71.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.0 m -39.06 -42.6 0.92 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.858 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -59.8 -56.91 15.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.448 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 25.8 t80 -44.52 -40.9 6.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -58.05 -60.43 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mt -57.27 -32.24 40.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 52' ' ' GLN . 43.7 t -69.93 -30.92 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -63.0 -49.35 75.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.392 1.057 . . . . 0.0 111.055 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.01 -57.44 19.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.541 HD12 ' C ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -56.01 -45.11 79.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.778 HG13 ' HB1' ' A' ' 25' ' ' ALA . 3.2 t -53.83 -37.96 34.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.437 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 3.6 m-20 -82.04 -18.44 43.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' A' ' 59' ' ' LEU . . . -86.28 -5.44 59.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.557 ' CG2' ' HB1' ' A' ' 21' ' ' ALA . 1.2 mt -73.45 -55.8 3.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.08 -39.14 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.559 1.821 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 ttt -59.0 -40.4 84.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.407 ' CG1' ' O ' ' A' ' 62' ' ' ALA . 89.9 mt -80.66 -28.23 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.371 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.65 -70.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.0 t -62.48 -31.71 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -53.19 -48.0 60.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -59.72 2.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 0.732 . . . . 0.0 109.236 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -39.75 -45.93 2.89 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.484 ' HA ' HD23 ' A' ' 72' ' ' LEU . 2.1 mt -67.71 -58.5 4.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.754 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -40.77 -43.5 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.72 -63.71 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.413 1.071 . . . . 0.0 109.277 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.06 -48.1 4.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -68.56 -34.88 76.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.89 -68.25 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.475 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 18.0 m -59.17 -33.63 51.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 78' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -44.6 -51.45 9.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.57 ' O ' HG23 ' A' ' 15' ' ' VAL . 6.9 ttm -44.97 -48.87 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.65 -39.05 73.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.585 1.178 . . . . 0.0 109.349 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.95 -71.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.39 -62.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 11' ' ' MET . 64.6 t -41.76 -53.76 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -48.64 69.5 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 76.2 mtp -55.4 -52.11 64.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.543 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -47.28 -40.36 14.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.387 1.054 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.29 -70.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 0.738 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.16 -61.56 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.3 -55.87 3.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.543 HD12 ' O ' ' A' ' 18' ' ' GLY . 27.2 mt -48.01 -47.68 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.79 -64.28 3.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.473 ' O ' HD12 ' A' ' 28' ' ' ILE . 15.8 t0 -55.65 -63.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.362 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.696 ' O ' HG13 ' A' ' 60' ' ' VAL . . . -40.55 -29.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' GLY . 0.2 OUTLIER -79.05 -50.95 17.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.74 -45.49 0.54 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.459 1.099 . . . . 0.0 111.02 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.742 HG22 HG11 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -75.55 -50.82 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 0.0 109.236 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -44.34 -51.58 7.58 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.3 mm -68.1 -31.18 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.733 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.08 -45.63 86.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.49 -35.68 29.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.89 -36.99 17.25 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -75.81 -2.61 30.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.493 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 2.4 t80 -94.01 -33.89 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.03 -60.83 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.745 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -59.24 -39.94 84.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.21 -58.68 12.76 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.409 1.068 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.961 ' HB3' HD22 ' A' ' 49' ' ' LEU . . . -61.52 -22.91 65.55 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.577 0.81 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 37' ' ' GLU . . . -48.42 -24.43 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.235 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -59.41 -35.1 73.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.846 ' HG3' HD13 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -120.84 118.98 30.24 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.342 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.28 9.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.547 1.814 . . . . 0.0 110.985 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.96 11.85 38.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.846 HD13 ' HG3' ' A' ' 42' ' ' GLN . 3.6 mp -131.05 23.72 4.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.516 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.8 OUTLIER -76.08 -51.96 2.65 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.2 Cg_endo -74.95 -13.74 21.44 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.55 1.816 . . . . 0.0 110.996 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.42 -64.23 1.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.373 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.961 HD22 ' HB3' ' A' ' 39' ' ' ALA . 0.2 OUTLIER -46.45 -35.31 5.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.415 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 10.1 ttp180 -71.33 -48.94 47.3 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 0.0 110.276 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.876 ' O ' HD12 ' A' ' 55' ' ' ILE . 33.7 m -57.12 -56.83 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.82 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -57.38 -38.22 73.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -60.75 -63.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.455 ' O ' ' CB ' ' A' ' 57' ' ' MET . 2.4 t80 -37.79 -56.63 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 111.04 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.876 HD12 ' O ' ' A' ' 51' ' ' THR . 3.3 mt -53.11 -51.57 37.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 52' ' ' GLN . 89.2 t -55.07 -28.93 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.383 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.455 ' CB ' ' O ' ' A' ' 54' ' ' PHE . 1.0 OUTLIER -61.05 -58.81 6.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.92 -46.4 89.51 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.75 ' O ' HD23 ' A' ' 59' ' ' LEU . 4.4 tt -57.62 -38.29 74.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.696 HG13 ' O ' ' A' ' 25' ' ' ALA . 2.6 t -62.26 -39.77 85.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.402 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 1.1 m-80 -82.94 -5.36 59.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.52 ' O ' HD12 ' A' ' 66' ' ' ILE . . . -90.56 -23.03 20.99 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.558 HG21 ' HB2' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -61.85 -54.67 48.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.99 -46.05 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.791 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.401 ' SD ' ' C ' ' A' ' 65' ' ' MET . 0.3 OUTLIER -53.31 -40.41 64.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.52 HD12 ' O ' ' A' ' 62' ' ' ALA . 50.0 mt -79.9 -29.04 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.56 -71.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.249 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.5 t -63.95 -27.95 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.02 -57.5 18.03 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.547 1.154 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -56.25 22.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.624 0.838 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -42.34 -49.69 5.6 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 72' ' ' LEU . 1.7 mt -58.72 -66.1 0.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 0.723 . . . . 0.0 109.216 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -37.99 -41.93 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 111.021 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.549 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 71.6 t -66.81 -55.19 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.36 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 8.2 tmm? -49.18 -51.11 34.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -68.01 -15.64 63.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 74' ' ' VAL . . . -77.91 -55.62 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.6 p -95.99 14.16 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.505 ' CE2' ' HB2' ' A' ' 75' ' ' MET . 2.5 t80 -37.93 -33.32 0.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.168 . . . . 0.0 110.988 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.544 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.7 ttm -69.19 -55.57 10.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.9 77.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.03 -71.49 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.37 -62.36 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.24 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 11' ' ' MET . 47.7 t -40.42 -46.41 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -49.59 76.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.496 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 47.2 mtt -58.84 -31.89 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.67 -63.14 4.25 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.682 HD12 ' N ' ' A' ' 20' ' ' ALA . 2.6 pp -56.03 -58.81 6.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.682 ' N ' HD12 ' A' ' 19' ' ' LEU . . . -46.56 -61.91 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.217 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -44.21 -56.39 4.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 109.327 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.7 mt -48.11 -46.84 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.32 -65.39 2.57 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.476 ' O ' HD12 ' A' ' 28' ' ' ILE . 8.3 t0 -56.27 -61.35 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.804 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -40.89 -29.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.511 HG23 HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -79.23 -50.91 17.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.76 -45.35 0.53 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.456 1.098 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.731 HG22 HG13 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -75.62 -50.59 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -44.91 -51.53 8.3 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.511 HD13 HG23 ' A' ' 26' ' ' ILE . 1.4 mp -67.89 -31.12 50.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -43.57 92.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.91 -31.6 55.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.06 -43.36 8.81 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.53 -9.9 46.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.418 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 2.3 t80 -92.45 -31.69 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.679 HD12 HD11 ' A' ' 49' ' ' LEU . 4.7 tp -42.33 -60.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.24 -36.91 82.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.79 -34.63 78.46 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.803 ' HB3' HD22 ' A' ' 49' ' ' LEU . . . -96.64 -12.45 23.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.612 0.83 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.85 -28.71 67.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.68 -0.75 57.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.428 ' CB ' ' HB2' ' A' ' 45' ' ' LEU . 7.9 mm100 -114.79 104.39 54.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.516 ' HA ' HD12 ' A' ' 46' ' ' ILE . 18.3 Cg_endo -74.97 0.73 8.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.539 1.81 . . . . 0.0 110.97 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.77 13.14 9.92 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.428 ' HB2' ' CB ' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -131.41 15.32 5.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -72.32 -51.79 7.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.1 Cg_endo -75.01 -1.03 10.69 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 48' ' ' LEU . 14.3 mt -99.55 -51.02 3.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.803 HD22 ' HB3' ' A' ' 39' ' ' ALA . 0.1 OUTLIER -53.92 -50.26 66.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.419 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -58.56 -66.01 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.8 m -38.64 -47.38 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.399 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.83 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -60.56 -54.82 40.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.365 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -44.59 -59.75 2.32 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -43.21 -51.54 6.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 110.962 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.0 mt -62.44 -39.57 84.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.462 1.101 . . . . 0.0 109.242 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 52' ' ' GLN . 52.0 t -58.92 -66.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 mtt -42.58 -31.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 62' ' ' ALA . . . -74.88 -41.5 33.22 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -78.72 -7.27 57.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.539 0.787 . . . . 0.0 109.272 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.804 HG22 ' O ' ' A' ' 25' ' ' ALA . 62.5 t -88.05 -38.23 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.472 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER -94.17 -10.45 33.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.504 ' O ' HD12 ' A' ' 66' ' ' ILE . . . -92.87 -39.63 11.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.581 ' CG2' ' HB2' ' A' ' 25' ' ' ALA . 1.6 mt -49.77 -49.19 74.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.05 -53.52 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.559 1.821 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.406 ' HB2' ' O ' ' A' ' 61' ' ' ASN . 2.8 mtm -42.41 -47.09 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.043 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.504 HD12 ' O ' ' A' ' 62' ' ' ALA . 8.2 mt -75.54 -30.82 22.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.439 1.087 . . . . 0.0 109.276 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 64' ' ' PRO . . . -61.86 -71.07 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.113 . . . . 0.0 109.36 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.0 t -66.57 -27.66 40.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.35 -61.18 7.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.12 -52.04 67.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.751 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -46.87 -45.23 18.92 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.554 1.159 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' A' ' 72' ' ' LEU . 1.9 mt -65.05 -60.52 2.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.764 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -40.37 -44.89 2.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.3 -44.12 98.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.505 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 4.4 ttt -59.47 -40.23 86.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -80.62 -12.97 59.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.88 -47.48 45.57 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.0 p -72.77 -31.48 36.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.153 . . . . 0.0 109.36 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.554 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.9 m-30 -52.3 -50.23 62.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 111.077 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.628 ' O ' HG23 ' A' ' 15' ' ' VAL . 21.6 ttt -45.82 -52.52 11.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.77 -24.62 66.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 10' ' ' TYR . . . -76.23 -72.3 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.58 -54.29 9.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.232 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 11' ' ' MET . 79.5 t -47.69 -48.21 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.6 mtp -59.4 -55.95 28.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.6 mtp -51.64 -36.4 45.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 19' ' ' LEU . . . -66.36 -73.93 0.58 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' GLY . 0.7 OUTLIER -39.72 -53.86 2.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 0.797 . . . . 0.0 109.256 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.21 -55.77 18.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.506 ' HB1' HG22 ' A' ' 63' ' ' ILE . . . -50.24 -62.69 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.5 mt -43.21 -45.45 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.02 -63.86 3.95 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.48 1.112 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.504 ' O ' HD12 ' A' ' 28' ' ' ILE . 3.5 t70 -58.84 -60.99 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.721 ' HB1' HG13 ' A' ' 60' ' ' VAL . . . -41.27 -29.2 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.433 ' N ' ' C ' ' A' ' 24' ' ' ASP . 0.3 OUTLIER -77.56 -51.91 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.628 1.205 . . . . 0.0 109.263 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -35.01 -46.32 0.64 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.56 1.163 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.529 HD13 HG22 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -73.92 -52.22 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.451 0.736 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -43.86 -53.61 6.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.118 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.0 mm -65.75 -29.67 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.382 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' ILE . 0.6 OUTLIER -59.68 -48.15 82.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.225 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.528 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -50.58 -37.63 33.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.68 -41.14 35.86 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -8.26 54.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.567 ' HD2' HD23 ' A' ' 49' ' ' LEU . 4.4 t80 -98.1 -33.17 11.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.5 tp -52.91 -46.45 68.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.819 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 1.2 tt0 -66.36 -42.4 88.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.254 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.09 -62.64 5.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.02 -16.09 28.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.819 ' HB3' ' O ' ' A' ' 37' ' ' GLU . . . -53.05 -23.85 8.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.422 ' HB3' ' NE2' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -60.19 -35.12 74.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.222 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.857 ' HG3' HD13 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -120.1 118.3 31.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 0.37 9.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.533 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -101.42 11.13 39.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.857 HD13 ' HG3' ' A' ' 42' ' ' GLN . 6.3 mp -136.94 12.07 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.497 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 1.1 mt -77.66 -53.08 1.58 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.4 Cg_endo -75.05 0.72 8.59 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.549 1.815 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.4 mp -95.57 -61.39 1.47 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.921 HD13 ' N ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -67.49 -32.99 74.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 109.376 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.921 ' N ' HD13 ' A' ' 49' ' ' LEU . 1.2 ttm-85 -60.19 -66.74 0.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 110.312 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.9 m -46.13 -37.73 7.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.384 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -52.89 62.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.363 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.528 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 28.3 t80 -48.94 -35.32 14.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -62.55 -58.33 7.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mt -59.21 -34.76 54.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.482 ' O ' HG23 ' A' ' 60' ' ' VAL . 23.3 t -69.33 -32.41 53.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -52.62 64.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.442 1.089 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.71 -63.07 5.61 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.57 1.169 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.528 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 0.8 OUTLIER -48.45 -44.56 35.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 0.782 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.721 HG13 ' HB1' ' A' ' 25' ' ' ALA . 2.7 t -56.89 -42.74 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.445 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 1.2 m-80 -78.31 -2.71 39.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.564 ' O ' HD12 ' A' ' 66' ' ' ILE . . . -91.26 -25.34 19.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.506 HG22 ' HB1' ' A' ' 21' ' ' ALA . 1.0 OUTLIER -58.58 -52.88 71.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.367 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.98 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -46.89 -43.26 18.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.564 HD12 ' O ' ' A' ' 62' ' ' ALA . 8.7 mt -79.71 -29.34 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 64' ' ' PRO . . . -63.99 -69.57 0.27 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.613 1.196 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.6 t -67.63 -31.48 52.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.51 -57.09 6.79 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.453 1.095 . . . . 0.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -69.67 -56.67 6.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.425 0.721 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -38.34 -39.04 0.69 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.89 -64.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -37.49 -40.97 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.7 t -68.65 -62.51 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -48.35 -22.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.95 -30.65 14.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.04 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.36 -52.17 55.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 79' ' ' ALA . 9.5 p -59.99 -47.37 92.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.411 ' N ' HG13 ' A' ' 78' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -37.64 -52.22 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.5 ttp -51.45 -61.19 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.31 -42.41 52.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 14' ' ' ALA . . . -60.67 -78.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -39.15 -62.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.632 ' O ' HD13 ' A' ' 19' ' ' LEU . 23.8 t -40.21 -54.48 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.6 mmm -56.17 -46.03 79.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.2 mtt -57.97 -60.49 3.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.461 1.1 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.477 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -47.28 -42.38 17.65 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.143 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 15' ' ' VAL . 9.4 mp -62.07 -69.86 0.23 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 0.773 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.83 -63.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.8 -58.35 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.356 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 18' ' ' GLY . 28.8 mt -45.11 -49.19 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.37 -63.72 3.54 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.493 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.47 -63.41 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.717 ' HB1' HG13 ' A' ' 60' ' ' VAL . . . -40.53 -29.65 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.371 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.447 ' N ' ' C ' ' A' ' 24' ' ' ASP . 0.2 OUTLIER -78.64 -51.15 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.335 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.88 -45.68 0.57 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.493 HD12 ' O ' ' A' ' 24' ' ' ASP . 0.3 OUTLIER -75.2 -49.59 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.567 0.804 . . . . 0.0 109.215 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' ILE . . . -45.28 -50.96 9.49 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.485 1.116 . . . . 0.0 111.042 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mm -68.7 -30.13 46.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.421 0.718 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.57 -40.05 95.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.565 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -55.18 -36.36 61.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.44 1.088 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -78.89 -40.5 17.03 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -68.44 -9.31 47.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 0.765 . . . . 0.0 109.373 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.729 ' CD2' HD12 ' A' ' 49' ' ' LEU . 1.4 t80 -94.55 -31.17 14.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.618 ' HA ' HD11 ' A' ' 49' ' ' LEU . 61.1 mt -53.6 -47.95 69.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 109.309 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.693 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 0.8 OUTLIER -67.01 -38.52 86.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.02 -54.85 30.16 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.792 ' CB ' HD13 ' A' ' 49' ' ' LEU . . . -66.12 -16.8 64.26 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 0.749 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 37' ' ' GLU . . . -53.45 -20.92 5.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.48 -27.14 60.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.43 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -116.95 110.68 41.49 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.95 0.3 9.05 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.543 1.812 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.25 12.8 23.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.43 ' HB2' ' CG ' ' A' ' 42' ' ' GLN . 3.3 mp -133.56 10.08 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.672 ' O ' HD23 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -76.42 -52.4 2.3 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.3 Cg_endo -74.95 0.22 9.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 mp -99.14 -56.14 2.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.792 HD13 ' CB ' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -60.83 -39.43 89.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.588 ' H ' HD23 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -58.09 -62.25 1.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.132 . . . . 0.0 110.252 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.4 m -38.73 -57.12 1.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.376 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.778 ' O ' HG23 ' A' ' 56' ' ' VAL . 2.0 mt-30 -56.18 -60.52 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.252 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.565 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 7.4 t80 -40.76 -41.6 1.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -57.02 -60.79 3.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 111.046 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.2 mt -56.73 -34.8 43.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 52' ' ' GLN . 46.1 t -61.56 -50.51 80.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.7 ttt -50.27 -39.31 44.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 111.011 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 61' ' ' ASN . . . -63.48 -69.95 1.18 Allowed Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.427 1.08 . . . . 0.0 110.948 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.548 ' HA ' ' HB3' ' A' ' 62' ' ' ALA . 1.1 pp -44.38 -43.91 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 0.807 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.717 HG13 ' HB1' ' A' ' 25' ' ' ALA . 2.7 t -52.21 -40.98 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' GLY . 3.9 m120 -81.73 -19.53 41.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.549 ' O ' HD12 ' A' ' 66' ' ' ILE . . . -86.1 -1.97 57.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.245 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.436 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -77.18 -56.08 1.28 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.97 -39.05 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.805 . . . . 0.0 111.065 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.4 ttt -59.53 -46.55 88.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.549 HD12 ' O ' ' A' ' 62' ' ' ALA . 69.0 mt -75.03 -29.02 21.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 63' ' ' ILE . . . -68.04 -72.55 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.72 -33.65 55.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.13 -50.33 55.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.7 -62.26 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.747 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -41.16 -47.02 4.32 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.516 1.135 . . . . 0.0 111.05 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 72' ' ' LEU . 2.0 mt -63.64 -63.32 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 1.9 t80 -37.91 -41.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.8 t -66.71 -50.45 65.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -55.7 -54.85 39.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.931 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.19 -44.39 97.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 73' ' ' TYR . . . -46.6 -69.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.2 p -59.78 -36.71 67.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.488 ' CD2' ' SD ' ' A' ' 75' ' ' MET . 48.6 t80 -37.86 -54.2 1.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.64 ' O ' HG23 ' A' ' 15' ' ' VAL . 8.1 ttt -45.74 -51.09 13.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.0 -48.65 75.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.7 -73.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.78 -63.84 0.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 11' ' ' MET . 54.9 t -40.17 -54.16 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -47.98 64.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.6 mtt -57.54 -42.41 82.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.155 . . . . 0.0 111.027 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.61 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -55.16 -40.51 75.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.7 -68.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 0.724 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.18 -62.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.31 -53.85 3.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.061 . . . . 0.0 109.233 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.61 HD12 ' O ' ' A' ' 18' ' ' GLY . 10.6 mt -48.84 -49.41 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.9 -64.64 2.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.532 ' O ' HD12 ' A' ' 28' ' ' ILE . 4.4 t70 -55.0 -63.55 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.821 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -40.0 -29.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.364 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.847 HG23 HD13 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -78.89 -52.04 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.08 . . . . 0.0 109.288 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.65 -44.07 0.43 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.787 HG22 HG13 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -75.53 -48.75 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 0.764 . . . . 0.0 109.282 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 26' ' ' ILE . . . -49.29 -48.44 33.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.847 HD13 HG23 ' A' ' 26' ' ' ILE . 1.7 mp -67.81 -31.93 54.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.472 HD23 HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -58.46 -56.94 15.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.407 ' N ' ' HG ' ' A' ' 31' ' ' LEU . . . -46.2 -29.44 3.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.566 1.166 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.78 -38.18 8.91 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.46 -2.04 30.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 0.797 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -94.84 -27.54 15.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.79 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 5.1 tp -56.96 -31.95 65.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.379 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.82 -29.12 16.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.75 -52.84 8.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.74 ' HB3' HD22 ' A' ' 49' ' ' LEU . . . -79.46 1.19 26.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.79 ' HB2' ' O ' ' A' ' 36' ' ' LEU . . . -69.87 -18.68 63.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -79.36 -17.51 54.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.577 ' CB ' HD23 ' A' ' 45' ' ' LEU . 5.4 mm-40 -114.71 113.26 44.95 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 110.305 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 0.25 9.08 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.727 ' C ' HD22 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -109.48 13.19 24.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.727 HD22 ' C ' ' A' ' 44' ' ' ASP . 2.3 mm? -120.9 17.68 11.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.497 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.6 OUTLIER -76.25 -52.46 2.41 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.4 Cg_endo -75.03 -1.01 10.67 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 48' ' ' LEU . 13.8 mt -107.53 -65.72 1.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.74 HD22 ' HB3' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -45.86 -45.09 14.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.627 ' N ' HD12 ' A' ' 49' ' ' LEU . 6.0 mtm180 -59.16 -70.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.7 m -38.87 -47.78 1.47 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.375 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 53' ' ' PHE . 15.1 mt-30 -52.45 -62.43 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 52' ' ' GLN . 9.5 t80 -37.79 -63.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -37.47 -55.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.3 mt -59.41 -52.37 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.604 1.19 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.787 HG13 HG22 ' A' ' 28' ' ' ILE . 24.4 t -45.12 -61.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -36.49 4.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.33 -53.93 19.06 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.594 ' HA ' ' HB3' ' A' ' 62' ' ' ALA . 0.2 OUTLIER -64.12 -17.36 63.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 109.235 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.821 HG22 ' O ' ' A' ' 25' ' ' ALA . 5.5 t -73.47 -42.63 56.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.457 ' O ' ' CB ' ' A' ' 65' ' ' MET . 1.0 OUTLIER -90.74 -2.07 57.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.594 ' HB3' ' HA ' ' A' ' 59' ' ' LEU . . . -92.68 -34.12 14.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.504 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -56.8 -52.07 76.59 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.98 -48.74 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.457 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 12.1 ttt -49.24 -43.29 42.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 62' ' ' ALA . 14.8 mt -78.59 -28.87 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.413 ' HB3' ' HA ' ' A' ' 64' ' ' PRO . . . -65.4 -70.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.56 -28.27 43.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.12 -51.53 55.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.438 1.086 . . . . 0.0 111.055 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.32 -56.33 13.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 0.75 . . . . 0.0 109.324 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -43.39 -47.58 6.95 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 72' ' ' LEU . 2.5 mt -63.56 -61.98 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 0.779 . . . . 0.0 109.353 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -38.41 -42.73 0.76 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.54 -61.63 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.488 ' SD ' ' CD2' ' A' ' 10' ' ' TYR . 4.2 tpt -44.0 -50.97 8.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -65.6 -43.23 90.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.67 -69.11 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.49 -31.32 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.444 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 6.7 tt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -47.99 -60.71 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.643 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.5 ttp -49.49 -41.5 40.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -57.16 -52.47 65.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.81 -66.62 0.51 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 17' ' ' MET . . . -40.15 -67.35 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 11' ' ' MET . 78.3 t -40.38 -48.54 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -44.25 78.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.482 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 33.2 mtp -65.25 -32.8 74.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.94 -64.85 3.6 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.514 HD12 ' N ' ' A' ' 20' ' ' ALA . 0.7 OUTLIER -50.48 -68.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 0.722 . . . . 0.0 109.225 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.514 ' N ' HD12 ' A' ' 19' ' ' LEU . . . -40.1 -61.24 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -42.87 -63.79 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.4 mt -43.99 -43.64 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.4 ' O ' ' HB ' ' A' ' 26' ' ' ILE . . . -49.24 -67.49 1.72 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -58.73 -58.85 6.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.62 ' HB2' HG21 ' A' ' 63' ' ' ILE . . . -40.9 -29.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -78.43 -50.85 18.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.363 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.38 -46.31 0.53 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.457 1.098 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.485 HD12 ' H ' ' A' ' 28' ' ' ILE . 0.3 OUTLIER -76.11 -47.7 30.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.489 0.758 . . . . 0.0 109.34 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 26' ' ' ILE . . . -47.11 -54.06 10.19 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 23.8 mm -65.52 -31.44 53.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.05 -46.42 85.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.571 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -50.74 -37.76 35.29 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.55 -41.95 28.34 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -71.95 -6.2 40.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.727 ' CD2' HD12 ' A' ' 49' ' ' LEU . 1.4 t80 -90.83 -30.11 17.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.996 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.695 ' HA ' HD11 ' A' ' 49' ' ' LEU . 2.2 mm? -53.62 -50.39 65.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.598 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 1.3 mp0 -63.65 -42.76 98.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.415 1.072 . . . . 0.0 110.228 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.53 -42.9 97.89 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.871 ' HB3' HD13 ' A' ' 49' ' ' LEU . . . -88.18 12.73 12.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 0.739 . . . . 0.0 109.207 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 37' ' ' GLU . . . -87.23 -14.16 41.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.26 -32.95 59.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.695 ' HG3' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -126.32 121.79 23.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.375 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.11 0.83 8.47 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.809 . . . . 0.0 110.934 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.6 8.76 41.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.695 HD13 ' HG3' ' A' ' 42' ' ' GLN . 0.4 OUTLIER -132.51 10.26 4.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.484 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 1.1 mt -76.09 -52.76 2.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.1 Cg_endo -75.0 0.05 9.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.476 1.777 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -101.1 -54.46 2.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.871 HD13 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -67.74 -34.08 76.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.1 ttm-85 -57.91 -71.31 0.11 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.8 m -40.13 -51.98 2.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.37 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.614 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.8 mt-30 -51.82 -62.93 1.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 10.2 t80 -37.49 -62.68 0.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -37.48 -59.35 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.2 mt -57.07 -49.66 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.229 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 52' ' ' GLN . 59.9 t -47.33 -44.7 9.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.1 ttt -54.5 -49.08 71.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 111.048 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.99 -46.77 93.38 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.658 ' O ' HD23 ' A' ' 59' ' ' LEU . 3.9 tt -61.73 -33.39 73.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 0.736 . . . . 0.0 109.251 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 25' ' ' ALA . 3.7 t -62.67 -39.78 85.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.408 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -85.88 -5.39 59.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.609 ' O ' HD12 ' A' ' 66' ' ' ILE . . . -90.92 -19.4 23.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.371 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.62 HG21 ' HB2' ' A' ' 25' ' ' ALA . 1.2 mt -67.0 -54.35 20.93 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.5 Cg_endo -75.0 -39.77 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.414 1.744 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.4 -39.04 82.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 62' ' ' ALA . 60.8 mt -80.56 -28.99 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.24 -71.12 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.7 t -61.61 -28.58 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.03 -58.99 11.7 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.46 -54.65 43.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -48.03 -43.88 25.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.544 ' HA ' HD23 ' A' ' 72' ' ' LEU . 3.1 mt -64.23 -64.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -38.8 -44.78 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.58 -49.64 82.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.435 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 3.2 tmm? -54.65 -58.56 7.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -54.25 -47.02 72.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -47.44 -70.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.41 HG23 ' N ' ' A' ' 79' ' ' ALA . 18.1 m -57.77 -45.59 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 75' ' ' MET . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.477 ' CE2' ' HG3' ' A' ' 75' ' ' MET . 31.1 t80 -38.12 -57.36 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.489 ' O ' HG23 ' A' ' 15' ' ' VAL . 20.1 ttp -45.5 -49.79 13.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.12 -35.39 69.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.462 ' HB1' ' CE ' ' A' ' 17' ' ' MET . . . -71.93 -71.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.78 -62.53 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.646 ' O ' HD13 ' A' ' 19' ' ' LEU . 67.6 t -41.9 -53.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -41.79 74.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.598 1.186 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.462 ' CE ' ' HB1' ' A' ' 13' ' ' ALA . 25.0 mtt -64.49 -63.31 1.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.644 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -42.5 -42.55 4.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.646 HD13 ' O ' ' A' ' 15' ' ' VAL . 8.0 mp -58.48 -70.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.91 -60.01 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.29 -54.49 3.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 109.356 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.644 HD12 ' O ' ' A' ' 18' ' ' GLY . 18.0 mt -51.26 -45.47 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.97 -64.61 3.16 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.477 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.9 t70 -55.95 -61.42 2.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.766 ' O ' HG13 ' A' ' 60' ' ' VAL . . . -41.6 -28.54 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.153 . . . . 0.0 109.233 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.792 HG23 HD13 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -79.32 -50.73 17.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -35.7 -44.57 0.69 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.55 1.156 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 24' ' ' ASP . 0.3 OUTLIER -76.17 -49.71 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.19 -50.34 9.57 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.792 HD13 HG23 ' A' ' 26' ' ' ILE . 1.7 mp -69.0 -31.92 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.32 -38.97 88.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.27 -37.87 55.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 111.065 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.26 -32.64 22.35 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.49 -1.88 29.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' LEU . 2.0 t80 -91.45 -32.14 15.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' N ' HD21 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -39.5 -33.67 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -101.22 -44.7 5.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.3 -24.04 14.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.836 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . . . -95.99 -24.8 16.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 0.796 . . . . 0.0 109.277 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.39 -29.0 9.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.248 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -35.21 44.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.465 ' HG3' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -123.49 124.35 26.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.559 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 18.4 Cg_endo -75.03 -1.12 10.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.465 1.771 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.94 14.47 28.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.411 1.069 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.495 HD23 ' HB2' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -128.71 25.06 5.7 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.559 ' CD1' ' HA ' ' A' ' 43' ' ' PRO . 1.2 mp -75.07 -51.93 3.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.5 Cg_endo -74.98 -18.56 18.68 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.495 ' HB2' HD23 ' A' ' 45' ' ' LEU . 17.6 mt -85.41 -27.58 25.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.836 ' CD1' ' HB3' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -52.92 -71.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 51' ' ' THR . 2.3 mtm180 -50.83 -59.39 4.16 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.5 1.125 . . . . 0.0 110.191 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' ARG . 19.4 m -38.03 -46.54 1.01 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.575 1.172 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.52 -54.5 38.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 54' ' ' PHE . 28.5 t80 -48.9 -64.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -37.2 -56.51 0.93 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.434 1.083 . . . . 0.0 111.012 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.3 mt -56.79 -50.52 74.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.472 ' O ' HG23 ' A' ' 60' ' ' VAL . 17.4 t -50.62 -66.25 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.22 -29.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.81 -43.74 21.97 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -77.62 -8.54 58.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.766 HG13 ' O ' ' A' ' 25' ' ' ALA . 55.8 t -85.45 -40.65 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.489 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER -90.25 -16.61 29.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 109.351 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -86.72 -43.8 12.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.675 ' CG2' ' HB2' ' A' ' 25' ' ' ALA . 1.0 OUTLIER -39.31 -52.58 4.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.581 1.176 . . . . 0.0 109.321 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.06 -39.44 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.563 1.823 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.7 tpt -49.56 -55.28 14.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.7 mt -70.33 -30.88 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' ' 64' ' ' PRO . . . -59.05 -71.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.1 t -63.36 -29.36 47.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.77 -53.16 41.11 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.05 -55.55 21.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.781 . . . . 0.0 109.356 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.59 -43.68 7.98 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 75' ' ' MET . 2.4 mt -66.82 -63.41 1.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.753 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.47 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 2.6 t80 -37.78 -41.12 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.1 t -67.83 -50.34 60.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.477 ' HG3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -56.48 -57.74 11.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 111.038 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.749 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 79.3 t80 -57.55 -51.35 69.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 73' ' ' TYR . . . -40.6 -65.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.6 p -62.77 -39.88 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.749 ' HB2' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.52 ' CE2' ' HG3' ' A' ' 75' ' ' MET . 0.0 OUTLIER -50.16 -34.44 22.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.402 1.064 . . . . 0.0 111.033 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.472 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 35.5 ttm -70.75 -56.74 5.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.0 -21.62 3.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.47 -79.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.15 -52.16 7.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.5 t -46.34 -54.44 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.406 1.066 . . . . 0.0 109.364 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.0 mtt -52.99 -43.71 66.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.409 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 17.8 mtp -62.23 -44.77 95.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.399 1.062 . . . . 0.0 111.009 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.465 ' O ' ' CG1' ' A' ' 22' ' ' ILE . . . -60.23 -43.23 98.69 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mp -62.9 -68.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 0.802 . . . . 0.0 109.264 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' GLY . . . -46.28 -61.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -44.75 -54.74 5.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.465 ' CG1' ' O ' ' A' ' 18' ' ' GLY . 34.7 mt -51.61 -37.34 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' ALA . . . -56.97 -63.87 4.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.476 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -57.69 -59.06 5.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.788 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -42.18 -28.45 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.745 HG23 HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -79.21 -51.17 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' ILE . . . -35.28 -44.91 0.61 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.494 HG22 ' CG1' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -75.95 -51.52 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.404 ' CA ' HG21 ' A' ' 60' ' ' VAL . . . -43.49 -52.99 6.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.745 HD13 HG23 ' A' ' 26' ' ' ILE . 1.6 mp -66.57 -32.64 58.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.3 -46.96 79.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.17 -38.19 25.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.9 -38.81 26.03 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -76.58 -1.86 29.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 0.78 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 6.5 t80 -97.74 -38.84 9.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.1 tp -46.92 -57.19 5.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 2.6 mt-10 -61.22 -31.68 71.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.08 -47.05 48.0 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.557 1.161 . . . . 0.0 111.051 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.481 ' HB3' ' HG ' ' A' ' 49' ' ' LEU . . . -76.27 -15.38 60.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 37' ' ' GLU . . . -56.73 -18.48 12.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -34.39 78.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.638 ' HG3' HD13 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -117.44 118.11 35.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.38 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -2.0 11.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.537 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -101.88 12.77 36.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.391 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.638 HD13 ' HG3' ' A' ' 42' ' ' GLN . 7.5 mp -131.85 18.07 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.382 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.522 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.8 OUTLIER -76.08 -51.59 2.74 Favored Pre-proline 0 C--N 1.327 -0.386 0 O-C-N 124.4 1.062 . . . . 0.0 109.237 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.2 Cg_endo -74.95 0.51 8.8 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.488 1.783 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -100.1 -63.36 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.881 HD13 ' N ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -55.12 -26.86 41.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.881 ' N ' HD13 ' A' ' 49' ' ' LEU . 9.7 mtp180 -71.71 -53.98 11.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.766 ' O ' HD12 ' A' ' 55' ' ' ILE . 22.4 m -53.86 -54.83 33.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.379 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.724 ' O ' HG23 ' A' ' 56' ' ' VAL . 20.9 pt20 -57.44 -44.06 84.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.416 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 5.2 t80 -55.6 -52.34 64.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 111.049 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -46.16 -53.92 9.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.766 HD12 ' O ' ' A' ' 51' ' ' THR . 2.9 mp -58.95 -48.37 86.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 52' ' ' GLN . 73.3 t -48.36 -48.4 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 9.4 tmm? -52.32 -46.43 66.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.53 -45.14 93.93 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.547 ' HA ' ' HB3' ' A' ' 62' ' ' ALA . 2.1 tt -62.71 -32.57 73.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 0.809 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.788 HG22 ' O ' ' A' ' 25' ' ' ALA . 4.6 t -64.18 -38.08 81.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 65' ' ' MET . 1.0 OUTLIER -91.43 -1.68 57.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.287 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.547 ' HB3' ' HA ' ' A' ' 59' ' ' LEU . . . -92.83 -40.83 10.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.8 mt -52.26 -50.55 78.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.04 -52.64 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.801 . . . . 0.0 110.972 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.461 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 3.6 ttt -46.02 -39.26 8.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.05 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.527 HD12 ' O ' ' A' ' 62' ' ' ALA . 7.6 mt -83.13 -28.46 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 64' ' ' PRO . . . -65.38 -68.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.7 t -67.08 -24.99 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.595 1.185 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.97 -54.64 35.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.38 -57.63 9.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -41.0 -45.74 3.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.515 ' HA ' HD23 ' A' ' 72' ' ' LEU . 2.2 mt -64.06 -61.81 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -39.91 -45.35 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 38.3 t -60.71 -62.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.52 ' HG3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -40.16 -54.0 2.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 111.013 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -62.52 -48.56 79.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.072 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.89 -56.57 5.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.43 -34.72 49.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.105 . . . . 0.0 109.246 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 75' ' ' MET . . . . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 tt . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -46.49 -58.13 4.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.636 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.6 ttt -42.81 -47.52 5.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.14 -49.31 74.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.41 -72.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.94 -64.78 0.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 11' ' ' MET . 60.6 t -40.38 -53.96 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -51.93 -49.23 63.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.4 mtp -55.12 -48.61 73.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.505 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -51.42 -37.0 39.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.919 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.7 mt -62.68 -69.71 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.441 0.73 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.33 -57.64 2.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.87 -62.23 1.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.505 HD12 ' O ' ' A' ' 18' ' ' GLY . 40.7 mt -44.07 -45.62 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.403 1.064 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.31 -67.56 1.58 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.448 1.092 . . . . 0.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.487 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -56.62 -59.25 5.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.746 . . . . 0.0 109.248 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.473 ' O ' HG13 ' A' ' 60' ' ' VAL . . . -41.46 -28.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.693 HG23 HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -79.07 -50.96 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.389 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -35.57 -44.49 0.65 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.677 HD13 HG22 ' A' ' 60' ' ' VAL . 0.3 OUTLIER -76.04 -50.79 21.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.54 0.788 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.36 -52.73 8.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.693 HD13 HG23 ' A' ' 26' ' ' ILE . 1.7 mp -66.03 -32.09 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.779 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.41 -45.89 87.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.413 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -50.59 -39.45 37.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.615 1.197 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.52 -43.51 36.74 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -69.45 -8.39 46.31 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.528 0.781 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.549 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 2.3 t80 -93.6 -31.75 14.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 111.053 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' ALA . 2.4 mt -55.33 -56.29 21.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.638 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -53.45 -44.04 68.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.27 -48.36 79.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.598 1.186 . . . . 0.0 111.067 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.525 ' HB3' ' HG ' ' A' ' 49' ' ' LEU . . . -78.49 -2.21 37.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 37' ' ' GLU . . . -66.93 -13.51 61.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -100.06 -2.19 34.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.422 ' CB ' ' HB2' ' A' ' 45' ' ' LEU . 23.4 mm-40 -114.94 102.33 54.81 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.18 9.66 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.441 1.759 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.06 13.13 12.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.609 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -132.69 11.58 4.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.199 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.496 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.7 OUTLIER -76.29 -52.62 2.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.2 Cg_endo -75.01 -2.86 13.1 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.498 1.788 . . . . 0.0 111.031 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.42 -64.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.004 HD13 ' N ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -57.22 -26.58 60.95 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 1.004 ' N ' HD13 ' A' ' 49' ' ' LEU . 5.5 ttm-85 -74.82 -66.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.1 m -44.1 -41.27 5.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.524 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -67.78 -50.18 58.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.413 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 12.9 t80 -50.53 -43.96 56.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -57.39 -54.4 47.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.8 mt -62.35 -30.26 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 52' ' ' GLN . 38.7 t -69.9 -36.75 70.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.4 ' O ' ' OD1' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -59.4 -47.8 84.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 111.004 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.6 -63.38 4.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.429 1.081 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.588 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -47.34 -44.34 23.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.677 HG22 HD13 ' A' ' 28' ' ' ILE . 2.4 t -56.29 -47.2 81.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.355 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.417 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 5.8 m120 -75.01 -2.93 29.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 59' ' ' LEU . . . -90.26 -26.17 20.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.468 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -58.06 -54.55 54.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.06 -47.19 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.494 1.786 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -38.45 59.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.136 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.408 ' CG1' ' O ' ' A' ' 62' ' ' ALA . 69.8 mt -82.88 -27.9 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.59 -64.08 0.94 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.658 HG12 HD23 ' A' ' 72' ' ' LEU . 7.6 t -56.97 -58.77 4.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.545 ' HA2' HD21 ' A' ' 72' ' ' LEU . . . -38.14 -41.57 1.05 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.548 ' O ' HG23 ' A' ' 74' ' ' VAL . 1.9 mt -66.18 -51.71 55.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.786 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -56.41 -54.45 35.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -59.83 -41.92 92.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.62 0.835 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.686 ' N ' HD12 ' A' ' 72' ' ' LEU . 9.5 t80 -57.75 -41.84 82.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 70' ' ' LEU . 42.7 t -57.81 -45.46 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.8 ttp -58.2 -51.37 70.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -65.2 -32.34 73.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.43 -61.63 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.9 p -70.49 -18.37 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -37.7 -58.69 0.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.627 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.4 ttm -43.32 -51.23 6.43 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.73 -48.44 79.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.75 -74.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 15' ' ' VAL . . . -39.57 -65.19 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 11' ' ' MET . 58.2 t -40.05 -53.95 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.3 ttt -54.22 -45.05 72.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.4 mtp -62.69 -37.07 85.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.97 -67.64 1.94 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 20' ' ' ALA . 3.1 pp -47.95 -47.31 32.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.236 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.591 ' N ' HD12 ' A' ' 19' ' ' LEU . . . -55.09 -56.19 22.58 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.557 ' HB1' ' CG2' ' A' ' 63' ' ' ILE . . . -51.47 -62.9 1.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.4 mt -44.25 -43.02 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.565 1.166 . . . . 0.0 109.35 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.43 -66.19 2.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.571 1.169 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.484 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -57.72 -60.41 3.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 0.739 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.778 ' HB1' HG13 ' A' ' 60' ' ' VAL . . . -40.96 -30.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -78.17 -50.93 18.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 26' ' ' ILE . . . -34.03 -46.16 0.46 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.484 HD12 ' O ' ' A' ' 24' ' ' ASP . 0.4 OUTLIER -75.31 -50.78 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.11 -53.85 7.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.61 1.194 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.5 mm -65.44 -31.05 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.48 0.753 . . . . 0.0 109.35 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.7 -49.08 77.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.448 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -52.62 -35.68 46.29 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.59 -41.72 42.7 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -73.24 -11.74 60.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.746 . . . . 0.0 109.322 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' ALA . 3.9 t80 -98.12 -32.34 11.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.8 tp -47.14 -40.27 15.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.13 -37.97 23.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.28 -0.3 61.38 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.433 1.083 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.475 ' CB ' ' HG ' ' A' ' 49' ' ' LEU . . . -114.76 -36.75 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 0.806 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.72 -24.68 1.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 39' ' ' ALA . 3.8 mtt180 -52.4 -35.24 51.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.6 118.0 29.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -1.09 10.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.415 1.745 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.36 10.74 40.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.597 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.0 tp -142.03 15.99 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.474 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 1.0 OUTLIER -77.54 -53.82 1.51 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.229 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.2 Cg_endo -74.97 0.83 8.42 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' A' ' 48' ' ' LEU . 1.8 mm? -93.2 -65.39 1.0 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.433 1.083 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.931 HD13 ' N ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -64.32 -35.13 79.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.931 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -60.61 -71.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.0 m -39.06 -42.6 0.92 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.858 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -59.8 -56.91 15.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.448 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 25.8 t80 -44.52 -40.9 6.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -58.05 -60.43 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mt -57.27 -32.24 40.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 52' ' ' GLN . 43.7 t -69.93 -30.92 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -63.0 -49.35 75.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.392 1.057 . . . . 0.0 111.055 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.01 -57.44 19.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.541 HD12 ' C ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -56.01 -45.11 79.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.778 HG13 ' HB1' ' A' ' 25' ' ' ALA . 3.2 t -53.83 -37.96 34.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.437 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER -82.04 -18.44 43.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' A' ' 59' ' ' LEU . . . -86.28 -5.44 59.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.557 ' CG2' ' HB1' ' A' ' 21' ' ' ALA . 1.2 mt -73.45 -55.8 3.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.08 -39.14 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.559 1.821 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 ttt -59.0 -40.4 84.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.407 ' CG1' ' O ' ' A' ' 62' ' ' ALA . 89.9 mt -80.66 -28.23 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.371 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.65 -70.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.0 t -62.48 -31.71 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -53.19 -48.0 60.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -59.72 2.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 0.732 . . . . 0.0 109.236 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -39.75 -45.93 2.89 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.484 ' HA ' HD23 ' A' ' 72' ' ' LEU . 2.1 mt -67.71 -58.5 4.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.754 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -40.77 -43.5 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.72 -63.71 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.413 1.071 . . . . 0.0 109.277 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.06 -48.1 4.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -68.56 -34.88 76.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.89 -68.25 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.475 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 18.0 m -59.17 -33.63 51.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 78' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.507 0.194 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -97.17 -13.46 22.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -136.83 24.11 3.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tp -119.5 -43.66 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -84.57 -49.42 8.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.219 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.8 -43.48 4.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 111.072 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.17 -50.88 63.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.75 -68.17 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.57 1.169 . . . . 0.0 109.361 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.79 -59.15 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -44.6 -51.45 9.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.57 ' O ' HG23 ' A' ' 15' ' ' VAL . 6.9 ttm -44.97 -48.87 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.65 -39.05 73.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.585 1.178 . . . . 0.0 109.349 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.95 -71.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.39 -62.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 11' ' ' MET . 64.6 t -41.76 -53.76 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -48.64 69.5 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 76.2 mtp -55.4 -52.11 64.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.543 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -47.28 -40.36 14.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.387 1.054 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.29 -70.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 0.738 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.16 -61.56 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.3 -55.87 3.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.543 HD12 ' O ' ' A' ' 18' ' ' GLY . 27.2 mt -48.01 -47.68 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.79 -64.28 3.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.473 ' O ' HD12 ' A' ' 28' ' ' ILE . 15.8 t0 -55.65 -63.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.362 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.696 ' O ' HG13 ' A' ' 60' ' ' VAL . . . -40.55 -29.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' GLY . 0.2 OUTLIER -79.05 -50.95 17.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.74 -45.49 0.54 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.459 1.099 . . . . 0.0 111.02 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.742 HG22 HG11 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -75.55 -50.82 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 0.0 109.236 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -44.34 -51.58 7.58 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.3 mm -68.1 -31.18 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.733 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.08 -45.63 86.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.49 -35.68 29.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.89 -36.99 17.25 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -75.81 -2.61 30.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.493 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 2.4 t80 -94.01 -33.89 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.03 -60.83 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.745 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -59.24 -39.94 84.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.21 -58.68 12.76 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.409 1.068 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.961 ' HB3' HD22 ' A' ' 49' ' ' LEU . . . -61.52 -22.91 65.55 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.577 0.81 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 37' ' ' GLU . . . -48.42 -24.43 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.235 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -59.41 -35.1 73.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.846 ' HG3' HD13 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -120.84 118.98 30.24 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.342 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.28 9.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.547 1.814 . . . . 0.0 110.985 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.96 11.85 38.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.846 HD13 ' HG3' ' A' ' 42' ' ' GLN . 3.6 mp -131.05 23.72 4.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.516 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.8 OUTLIER -76.08 -51.96 2.65 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.2 Cg_endo -74.95 -13.74 21.44 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.55 1.816 . . . . 0.0 110.996 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.42 -64.23 1.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.373 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.961 HD22 ' HB3' ' A' ' 39' ' ' ALA . 0.2 OUTLIER -46.45 -35.31 5.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.415 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 10.1 ttp180 -71.33 -48.94 47.3 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 0.0 110.276 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.876 ' O ' HD12 ' A' ' 55' ' ' ILE . 33.7 m -57.12 -56.83 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.82 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -57.38 -38.22 73.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -60.75 -63.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.455 ' O ' ' CB ' ' A' ' 57' ' ' MET . 2.4 t80 -37.79 -56.63 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 111.04 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.876 HD12 ' O ' ' A' ' 51' ' ' THR . 3.3 mt -53.11 -51.57 37.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 52' ' ' GLN . 89.2 t -55.07 -28.93 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.383 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.455 ' CB ' ' O ' ' A' ' 54' ' ' PHE . 1.0 OUTLIER -61.05 -58.81 6.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.92 -46.4 89.51 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.75 ' O ' HD23 ' A' ' 59' ' ' LEU . 4.4 tt -57.62 -38.29 74.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.696 HG13 ' O ' ' A' ' 25' ' ' ALA . 2.6 t -62.26 -39.77 85.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.402 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 1.1 m-80 -82.94 -5.36 59.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.52 ' O ' HD12 ' A' ' 66' ' ' ILE . . . -90.56 -23.03 20.99 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.558 HG21 ' HB2' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -61.85 -54.67 48.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.99 -46.05 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.791 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.401 ' SD ' ' C ' ' A' ' 65' ' ' MET . 0.3 OUTLIER -53.31 -40.41 64.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.52 HD12 ' O ' ' A' ' 62' ' ' ALA . 50.0 mt -79.9 -29.04 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.56 -71.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.249 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.5 t -63.95 -27.95 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.02 -57.5 18.03 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.547 1.154 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -56.25 22.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.624 0.838 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -42.34 -49.69 5.6 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 72' ' ' LEU . 1.7 mt -58.72 -66.1 0.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 0.723 . . . . 0.0 109.216 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -37.99 -41.93 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 111.021 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.549 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 71.6 t -66.81 -55.19 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.36 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 8.2 tmm? -49.18 -51.11 34.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -68.01 -15.64 63.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 74' ' ' VAL . . . -77.91 -55.62 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.6 p -95.99 14.16 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.481 0.181 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.31 -17.77 29.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -85.64 -3.29 58.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.48 -41.36 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -62.41 -28.09 69.54 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.4 ptp -57.72 -16.96 12.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -83.95 -52.17 6.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.25 -48.03 54.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.41 -64.38 0.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.505 ' CE2' ' HB2' ' A' ' 75' ' ' MET . 2.5 t80 -37.93 -33.32 0.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.168 . . . . 0.0 110.988 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.544 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.7 ttm -69.19 -55.57 10.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.9 77.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.03 -71.49 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.37 -62.36 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.24 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 11' ' ' MET . 47.7 t -40.42 -46.41 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -49.59 76.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.496 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 47.2 mtt -58.84 -31.89 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.67 -63.14 4.25 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.682 HD12 ' N ' ' A' ' 20' ' ' ALA . 2.6 pp -56.03 -58.81 6.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.682 ' N ' HD12 ' A' ' 19' ' ' LEU . . . -46.56 -61.91 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.217 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -44.21 -56.39 4.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 109.327 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.7 mt -48.11 -46.84 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.32 -65.39 2.57 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.476 ' O ' HD12 ' A' ' 28' ' ' ILE . 8.3 t0 -56.27 -61.35 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.804 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -40.89 -29.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.511 HG23 HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -79.23 -50.91 17.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.76 -45.35 0.53 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.456 1.098 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.731 HG22 HG13 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -75.62 -50.59 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -44.91 -51.53 8.3 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.511 HD13 HG23 ' A' ' 26' ' ' ILE . 1.4 mp -67.89 -31.12 50.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -43.57 92.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.91 -31.6 55.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.06 -43.36 8.81 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.53 -9.9 46.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.418 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 2.3 t80 -92.45 -31.69 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.679 HD12 HD11 ' A' ' 49' ' ' LEU . 4.7 tp -42.33 -60.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.24 -36.91 82.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.79 -34.63 78.46 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.803 ' HB3' HD22 ' A' ' 49' ' ' LEU . . . -96.64 -12.45 23.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.612 0.83 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.85 -28.71 67.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.68 -0.75 57.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.428 ' CB ' ' HB2' ' A' ' 45' ' ' LEU . 7.9 mm100 -114.79 104.39 54.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.516 ' HA ' HD12 ' A' ' 46' ' ' ILE . 18.3 Cg_endo -74.97 0.73 8.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.539 1.81 . . . . 0.0 110.97 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.77 13.14 9.92 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.428 ' HB2' ' CB ' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -131.41 15.32 5.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -72.32 -51.79 7.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.1 Cg_endo -75.01 -1.03 10.69 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 48' ' ' LEU . 14.3 mt -99.55 -51.02 3.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.803 HD22 ' HB3' ' A' ' 39' ' ' ALA . 0.1 OUTLIER -53.92 -50.26 66.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.419 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -58.56 -66.01 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.8 m -38.64 -47.38 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.399 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.83 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -60.56 -54.82 40.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.365 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -44.59 -59.75 2.32 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -43.21 -51.54 6.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 110.962 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.0 mt -62.44 -39.57 84.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.462 1.101 . . . . 0.0 109.242 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 52' ' ' GLN . 52.0 t -58.92 -66.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 mtt -42.58 -31.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 62' ' ' ALA . . . -74.88 -41.5 33.22 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -78.72 -7.27 57.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.539 0.787 . . . . 0.0 109.272 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.804 HG22 ' O ' ' A' ' 25' ' ' ALA . 62.5 t -88.05 -38.23 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.472 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER -94.17 -10.45 33.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.504 ' O ' HD12 ' A' ' 66' ' ' ILE . . . -92.87 -39.63 11.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.581 ' CG2' ' HB2' ' A' ' 25' ' ' ALA . 1.6 mt -49.77 -49.19 74.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.05 -53.52 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.559 1.821 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.406 ' HB2' ' O ' ' A' ' 61' ' ' ASN . 2.8 mtm -42.41 -47.09 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.043 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.504 HD12 ' O ' ' A' ' 62' ' ' ALA . 8.2 mt -75.54 -30.82 22.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.439 1.087 . . . . 0.0 109.276 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 64' ' ' PRO . . . -61.86 -71.07 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.113 . . . . 0.0 109.36 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.0 t -66.57 -27.66 40.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.35 -61.18 7.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.12 -52.04 67.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.751 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -46.87 -45.23 18.92 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.554 1.159 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' A' ' 72' ' ' LEU . 1.9 mt -65.05 -60.52 2.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.764 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -40.37 -44.89 2.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.3 -44.12 98.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.505 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 4.4 ttt -59.47 -40.23 86.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -80.62 -12.97 59.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.88 -47.48 45.57 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.0 p -72.77 -31.48 36.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.153 . . . . 0.0 109.36 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.479 0.18 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -103.23 -9.67 19.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -138.76 23.76 2.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.98 -46.32 2.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.44 -43.64 3.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -51.05 22.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.58 -48.02 57.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.394 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.6 -53.94 44.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.86 -51.4 56.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.268 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.554 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.9 m-30 -52.3 -50.23 62.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 111.077 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.628 ' O ' HG23 ' A' ' 15' ' ' VAL . 21.6 ttt -45.82 -52.52 11.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.77 -24.62 66.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 10' ' ' TYR . . . -76.23 -72.3 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.58 -54.29 9.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.232 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 11' ' ' MET . 79.5 t -47.69 -48.21 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.6 mtp -59.4 -55.95 28.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.6 mtp -51.64 -36.4 45.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 19' ' ' LEU . . . -66.36 -73.93 0.58 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' GLY . 0.7 OUTLIER -39.72 -53.86 2.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 0.797 . . . . 0.0 109.256 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.21 -55.77 18.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.506 ' HB1' HG22 ' A' ' 63' ' ' ILE . . . -50.24 -62.69 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.5 mt -43.21 -45.45 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.02 -63.86 3.95 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.48 1.112 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.504 ' O ' HD12 ' A' ' 28' ' ' ILE . 3.5 t70 -58.84 -60.99 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.721 ' HB1' HG13 ' A' ' 60' ' ' VAL . . . -41.27 -29.2 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.433 ' N ' ' C ' ' A' ' 24' ' ' ASP . 0.3 OUTLIER -77.56 -51.91 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.628 1.205 . . . . 0.0 109.263 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -35.01 -46.32 0.64 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.56 1.163 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.529 HD13 HG22 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -73.92 -52.22 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.451 0.736 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -43.86 -53.61 6.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.118 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.0 mm -65.75 -29.67 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.382 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' ILE . 0.6 OUTLIER -59.68 -48.15 82.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.225 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.528 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -50.58 -37.63 33.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.68 -41.14 35.86 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -8.26 54.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.567 ' HD2' HD23 ' A' ' 49' ' ' LEU . 4.4 t80 -98.1 -33.17 11.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.5 tp -52.91 -46.45 68.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.819 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 1.2 tt0 -66.36 -42.4 88.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.254 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.09 -62.64 5.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.02 -16.09 28.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.819 ' HB3' ' O ' ' A' ' 37' ' ' GLU . . . -53.05 -23.85 8.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.422 ' HB3' ' NE2' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -60.19 -35.12 74.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.222 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.857 ' HG3' HD13 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -120.1 118.3 31.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 0.37 9.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.533 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -101.42 11.13 39.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.857 HD13 ' HG3' ' A' ' 42' ' ' GLN . 6.3 mp -136.94 12.07 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.497 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 1.1 mt -77.66 -53.08 1.58 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.4 Cg_endo -75.05 0.72 8.59 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.549 1.815 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.4 mp -95.57 -61.39 1.47 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.921 HD13 ' N ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -67.49 -32.99 74.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 109.376 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.921 ' N ' HD13 ' A' ' 49' ' ' LEU . 1.2 ttm-85 -60.19 -66.74 0.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 110.312 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.9 m -46.13 -37.73 7.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.384 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -52.89 62.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.363 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.528 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 28.3 t80 -48.94 -35.32 14.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -62.55 -58.33 7.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mt -59.21 -34.76 54.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.482 ' O ' HG23 ' A' ' 60' ' ' VAL . 23.3 t -69.33 -32.41 53.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -52.62 64.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.442 1.089 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.71 -63.07 5.61 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.57 1.169 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.528 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 0.8 OUTLIER -48.45 -44.56 35.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 0.782 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.721 HG13 ' HB1' ' A' ' 25' ' ' ALA . 2.7 t -56.89 -42.74 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.445 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 1.2 m-80 -78.31 -2.71 39.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.564 ' O ' HD12 ' A' ' 66' ' ' ILE . . . -91.26 -25.34 19.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.506 HG22 ' HB1' ' A' ' 21' ' ' ALA . 1.0 OUTLIER -58.58 -52.88 71.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.367 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.98 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -46.89 -43.26 18.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.564 HD12 ' O ' ' A' ' 62' ' ' ALA . 8.7 mt -79.71 -29.34 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 64' ' ' PRO . . . -63.99 -69.57 0.27 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.613 1.196 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.6 t -67.63 -31.48 52.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.51 -57.09 6.79 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.453 1.095 . . . . 0.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -69.67 -56.67 6.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.425 0.721 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -38.34 -39.04 0.69 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.89 -64.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -37.49 -40.97 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.7 t -68.65 -62.51 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -48.35 -22.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.95 -30.65 14.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.04 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.36 -52.17 55.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 79' ' ' ALA . 9.5 p -59.99 -47.37 92.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.411 ' N ' HG13 ' A' ' 78' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.54 0.21 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -131.69 9.19 4.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -155.51 32.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.355 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.8 tp -139.49 -62.63 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -81.87 -40.43 22.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.3 mtp -50.27 -54.01 24.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.424 1.078 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -40.35 -45.84 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.69 -65.5 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.28 -63.68 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -37.64 -52.22 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.5 ttp -51.45 -61.19 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.31 -42.41 52.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 14' ' ' ALA . . . -60.67 -78.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -39.15 -62.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.632 ' O ' HD13 ' A' ' 19' ' ' LEU . 23.8 t -40.21 -54.48 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.6 mmm -56.17 -46.03 79.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.2 mtt -57.97 -60.49 3.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.461 1.1 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.477 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -47.28 -42.38 17.65 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.143 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 15' ' ' VAL . 9.4 mp -62.07 -69.86 0.23 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 0.773 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.83 -63.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.8 -58.35 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.356 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 18' ' ' GLY . 28.8 mt -45.11 -49.19 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.37 -63.72 3.54 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.493 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.47 -63.41 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.717 ' HB1' HG13 ' A' ' 60' ' ' VAL . . . -40.53 -29.65 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.371 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.447 ' N ' ' C ' ' A' ' 24' ' ' ASP . 0.2 OUTLIER -78.64 -51.15 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.335 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.88 -45.68 0.57 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.493 HD12 ' O ' ' A' ' 24' ' ' ASP . 0.3 OUTLIER -75.2 -49.59 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.567 0.804 . . . . 0.0 109.215 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' ILE . . . -45.28 -50.96 9.49 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.485 1.116 . . . . 0.0 111.042 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mm -68.7 -30.13 46.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.421 0.718 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.57 -40.05 95.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.565 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -55.18 -36.36 61.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.44 1.088 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -78.89 -40.5 17.03 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -68.44 -9.31 47.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 0.765 . . . . 0.0 109.373 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.729 ' CD2' HD12 ' A' ' 49' ' ' LEU . 1.4 t80 -94.55 -31.17 14.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.618 ' HA ' HD11 ' A' ' 49' ' ' LEU . 61.1 mt -53.6 -47.95 69.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 109.309 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.693 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 0.8 OUTLIER -67.01 -38.52 86.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.02 -54.85 30.16 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.792 ' CB ' HD13 ' A' ' 49' ' ' LEU . . . -66.12 -16.8 64.26 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 0.749 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 37' ' ' GLU . . . -53.45 -20.92 5.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.48 -27.14 60.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.43 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -116.95 110.68 41.49 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.95 0.3 9.05 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.543 1.812 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.25 12.8 23.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.43 ' HB2' ' CG ' ' A' ' 42' ' ' GLN . 3.3 mp -133.56 10.08 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.672 ' O ' HD23 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -76.42 -52.4 2.3 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.3 Cg_endo -74.95 0.22 9.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 mp -99.14 -56.14 2.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.792 HD13 ' CB ' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -60.83 -39.43 89.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.588 ' H ' HD23 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -58.09 -62.25 1.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.132 . . . . 0.0 110.252 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.4 m -38.73 -57.12 1.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.376 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.778 ' O ' HG23 ' A' ' 56' ' ' VAL . 2.0 mt-30 -56.18 -60.52 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.252 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.565 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 7.4 t80 -40.76 -41.6 1.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -57.02 -60.79 3.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 111.046 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.2 mt -56.73 -34.8 43.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 52' ' ' GLN . 46.1 t -61.56 -50.51 80.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.7 ttt -50.27 -39.31 44.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 111.011 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 61' ' ' ASN . . . -63.48 -69.95 1.18 Allowed Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.427 1.08 . . . . 0.0 110.948 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.548 ' HA ' ' HB3' ' A' ' 62' ' ' ALA . 1.1 pp -44.38 -43.91 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 0.807 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.717 HG13 ' HB1' ' A' ' 25' ' ' ALA . 2.7 t -52.21 -40.98 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' GLY . 3.9 m120 -81.73 -19.53 41.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.549 ' O ' HD12 ' A' ' 66' ' ' ILE . . . -86.1 -1.97 57.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.245 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.436 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -77.18 -56.08 1.28 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.97 -39.05 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.805 . . . . 0.0 111.065 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.4 ttt -59.53 -46.55 88.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.549 HD12 ' O ' ' A' ' 62' ' ' ALA . 69.0 mt -75.03 -29.02 21.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 63' ' ' ILE . . . -68.04 -72.55 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.72 -33.65 55.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.13 -50.33 55.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.7 -62.26 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.747 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -41.16 -47.02 4.32 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.516 1.135 . . . . 0.0 111.05 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 72' ' ' LEU . 2.0 mt -63.64 -63.32 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 1.9 t80 -37.91 -41.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.8 t -66.71 -50.45 65.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -55.7 -54.85 39.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.931 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.19 -44.39 97.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 73' ' ' TYR . . . -46.6 -69.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.2 p -59.78 -36.71 67.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ttt . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.477 0.18 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 64.41 11.99 6.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.74 25.3 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 tp -112.37 -48.84 2.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 8' ' ' LEU . 2.2 t30 -106.01 -64.48 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.16 -52.5 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -42.24 -41.72 2.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 5' ' ' ASN . 0.6 OUTLIER -62.14 -69.4 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.54 -63.45 0.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.356 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.488 ' CD2' ' SD ' ' A' ' 75' ' ' MET . 48.6 t80 -37.86 -54.2 1.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.64 ' O ' HG23 ' A' ' 15' ' ' VAL . 8.1 ttt -45.74 -51.09 13.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.0 -48.65 75.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.7 -73.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.78 -63.84 0.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 11' ' ' MET . 54.9 t -40.17 -54.16 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -47.98 64.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.6 mtt -57.54 -42.41 82.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.155 . . . . 0.0 111.027 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.61 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -55.16 -40.51 75.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.7 -68.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 0.724 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.18 -62.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.31 -53.85 3.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.061 . . . . 0.0 109.233 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.61 HD12 ' O ' ' A' ' 18' ' ' GLY . 10.6 mt -48.84 -49.41 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.9 -64.64 2.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.532 ' O ' HD12 ' A' ' 28' ' ' ILE . 4.4 t70 -55.0 -63.55 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.821 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -40.0 -29.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.364 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.847 HG23 HD13 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -78.89 -52.04 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.08 . . . . 0.0 109.288 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.65 -44.07 0.43 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.787 HG22 HG13 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -75.53 -48.75 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 0.764 . . . . 0.0 109.282 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 26' ' ' ILE . . . -49.29 -48.44 33.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.847 HD13 HG23 ' A' ' 26' ' ' ILE . 1.7 mp -67.81 -31.93 54.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.472 HD23 HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -58.46 -56.94 15.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.407 ' N ' ' HG ' ' A' ' 31' ' ' LEU . . . -46.2 -29.44 3.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.566 1.166 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.78 -38.18 8.91 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.46 -2.04 30.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 0.797 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -94.84 -27.54 15.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.79 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 5.1 tp -56.96 -31.95 65.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.379 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.82 -29.12 16.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.75 -52.84 8.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.74 ' HB3' HD22 ' A' ' 49' ' ' LEU . . . -79.46 1.19 26.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.79 ' HB2' ' O ' ' A' ' 36' ' ' LEU . . . -69.87 -18.68 63.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -79.36 -17.51 54.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.577 ' CB ' HD23 ' A' ' 45' ' ' LEU . 5.4 mm-40 -114.71 113.26 44.95 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 110.305 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 0.25 9.08 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.727 ' C ' HD22 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -109.48 13.19 24.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.727 HD22 ' C ' ' A' ' 44' ' ' ASP . 2.3 mm? -120.9 17.68 11.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.497 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.6 OUTLIER -76.25 -52.46 2.41 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.4 Cg_endo -75.03 -1.01 10.67 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 48' ' ' LEU . 13.8 mt -107.53 -65.72 1.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.74 HD22 ' HB3' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -45.86 -45.09 14.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.627 ' N ' HD12 ' A' ' 49' ' ' LEU . 6.0 mtm180 -59.16 -70.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.7 m -38.87 -47.78 1.47 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.375 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 53' ' ' PHE . 15.1 mt-30 -52.45 -62.43 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 52' ' ' GLN . 9.5 t80 -37.79 -63.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -37.47 -55.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.3 mt -59.41 -52.37 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.604 1.19 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.787 HG13 HG22 ' A' ' 28' ' ' ILE . 24.4 t -45.12 -61.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -36.49 4.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.33 -53.93 19.06 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.594 ' HA ' ' HB3' ' A' ' 62' ' ' ALA . 0.2 OUTLIER -64.12 -17.36 63.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 109.235 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.821 HG22 ' O ' ' A' ' 25' ' ' ALA . 5.5 t -73.47 -42.63 56.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.457 ' O ' ' CB ' ' A' ' 65' ' ' MET . 1.0 OUTLIER -90.74 -2.07 57.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.594 ' HB3' ' HA ' ' A' ' 59' ' ' LEU . . . -92.68 -34.12 14.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.504 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -56.8 -52.07 76.59 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.98 -48.74 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.457 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 12.1 ttt -49.24 -43.29 42.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 62' ' ' ALA . 14.8 mt -78.59 -28.87 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.413 ' HB3' ' HA ' ' A' ' 64' ' ' PRO . . . -65.4 -70.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.56 -28.27 43.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.12 -51.53 55.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.438 1.086 . . . . 0.0 111.055 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.32 -56.33 13.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 0.75 . . . . 0.0 109.324 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -43.39 -47.58 6.95 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 72' ' ' LEU . 2.5 mt -63.56 -61.98 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 0.779 . . . . 0.0 109.353 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -38.41 -42.73 0.76 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.54 -61.63 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.488 ' SD ' ' CD2' ' A' ' 10' ' ' TYR . 4.2 tpt -44.0 -50.97 8.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -65.6 -43.23 90.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.67 -69.11 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.49 -31.32 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mtt . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.494 0.188 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -139.47 13.22 2.56 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.0 42.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -164.77 -45.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -67.57 -38.58 84.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.2 -17.77 28.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -77.41 -41.57 39.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.56 -59.03 4.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.444 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 6.7 tt -47.74 -56.85 6.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -47.99 -60.71 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.643 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.5 ttp -49.49 -41.5 40.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -57.16 -52.47 65.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.81 -66.62 0.51 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 17' ' ' MET . . . -40.15 -67.35 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 11' ' ' MET . 78.3 t -40.38 -48.54 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -44.25 78.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.482 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 33.2 mtp -65.25 -32.8 74.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.94 -64.85 3.6 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.514 HD12 ' N ' ' A' ' 20' ' ' ALA . 0.7 OUTLIER -50.48 -68.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 0.722 . . . . 0.0 109.225 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.514 ' N ' HD12 ' A' ' 19' ' ' LEU . . . -40.1 -61.24 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -42.87 -63.79 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.4 mt -43.99 -43.64 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.4 ' O ' ' HB ' ' A' ' 26' ' ' ILE . . . -49.24 -67.49 1.72 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -58.73 -58.85 6.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.62 ' HB2' HG21 ' A' ' 63' ' ' ILE . . . -40.9 -29.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -78.43 -50.85 18.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.363 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -34.38 -46.31 0.53 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.457 1.098 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.485 HD12 ' H ' ' A' ' 28' ' ' ILE . 0.3 OUTLIER -76.11 -47.7 30.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.489 0.758 . . . . 0.0 109.34 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 26' ' ' ILE . . . -47.11 -54.06 10.19 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 23.8 mm -65.52 -31.44 53.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.05 -46.42 85.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.571 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -50.74 -37.76 35.29 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.55 -41.95 28.34 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -71.95 -6.2 40.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.727 ' CD2' HD12 ' A' ' 49' ' ' LEU . 1.4 t80 -90.83 -30.11 17.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.996 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.695 ' HA ' HD11 ' A' ' 49' ' ' LEU . 2.2 mm? -53.62 -50.39 65.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.598 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 1.3 mp0 -63.65 -42.76 98.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.415 1.072 . . . . 0.0 110.228 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.53 -42.9 97.89 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.871 ' HB3' HD13 ' A' ' 49' ' ' LEU . . . -88.18 12.73 12.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 0.739 . . . . 0.0 109.207 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 37' ' ' GLU . . . -87.23 -14.16 41.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.26 -32.95 59.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.695 ' HG3' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -126.32 121.79 23.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.375 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.11 0.83 8.47 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.809 . . . . 0.0 110.934 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.6 8.76 41.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.695 HD13 ' HG3' ' A' ' 42' ' ' GLN . 0.4 OUTLIER -132.51 10.26 4.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.484 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 1.1 mt -76.09 -52.76 2.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.1 Cg_endo -75.0 0.05 9.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.476 1.777 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -101.1 -54.46 2.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.871 HD13 ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -67.74 -34.08 76.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.1 ttm-85 -57.91 -71.31 0.11 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.8 m -40.13 -51.98 2.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.37 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.614 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.8 mt-30 -51.82 -62.93 1.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 10.2 t80 -37.49 -62.68 0.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -37.48 -59.35 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.2 mt -57.07 -49.66 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.229 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 52' ' ' GLN . 59.9 t -47.33 -44.7 9.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.1 ttt -54.5 -49.08 71.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 111.048 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.99 -46.77 93.38 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.658 ' O ' HD23 ' A' ' 59' ' ' LEU . 3.9 tt -61.73 -33.39 73.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 0.736 . . . . 0.0 109.251 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 25' ' ' ALA . 3.7 t -62.67 -39.78 85.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.408 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -85.88 -5.39 59.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.609 ' O ' HD12 ' A' ' 66' ' ' ILE . . . -90.92 -19.4 23.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.371 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.62 HG21 ' HB2' ' A' ' 25' ' ' ALA . 1.2 mt -67.0 -54.35 20.93 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.5 Cg_endo -75.0 -39.77 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.414 1.744 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.4 -39.04 82.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 62' ' ' ALA . 60.8 mt -80.56 -28.99 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.24 -71.12 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.7 t -61.61 -28.58 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.03 -58.99 11.7 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.46 -54.65 43.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -48.03 -43.88 25.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.544 ' HA ' HD23 ' A' ' 72' ' ' LEU . 3.1 mt -64.23 -64.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -38.8 -44.78 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.58 -49.64 82.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.435 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 3.2 tmm? -54.65 -58.56 7.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -54.25 -47.02 72.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -47.44 -70.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.41 HG23 ' N ' ' A' ' 79' ' ' ALA . 18.1 m -57.77 -45.59 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 75' ' ' MET . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtm . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.558 0.218 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -84.97 -5.59 59.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -157.1 25.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.075 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 mp -122.97 -48.44 2.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.03 -36.28 6.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -46.43 75.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -42.94 -45.76 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tt -57.86 -63.91 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.587 1.179 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -45.99 -64.56 0.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.365 1.041 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.477 ' CE2' ' HG3' ' A' ' 75' ' ' MET . 31.1 t80 -38.12 -57.36 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.489 ' O ' HG23 ' A' ' 15' ' ' VAL . 20.1 ttp -45.5 -49.79 13.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.12 -35.39 69.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.462 ' HB1' ' CE ' ' A' ' 17' ' ' MET . . . -71.93 -71.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.78 -62.53 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.646 ' O ' HD13 ' A' ' 19' ' ' LEU . 67.6 t -41.9 -53.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -41.79 74.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.598 1.186 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.462 ' CE ' ' HB1' ' A' ' 13' ' ' ALA . 25.0 mtt -64.49 -63.31 1.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.644 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -42.5 -42.55 4.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.646 HD13 ' O ' ' A' ' 15' ' ' VAL . 8.0 mp -58.48 -70.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.91 -60.01 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.29 -54.49 3.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 109.356 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.644 HD12 ' O ' ' A' ' 18' ' ' GLY . 18.0 mt -51.26 -45.47 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.97 -64.61 3.16 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.477 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.9 t70 -55.95 -61.42 2.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.766 ' O ' HG13 ' A' ' 60' ' ' VAL . . . -41.6 -28.54 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.153 . . . . 0.0 109.233 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.792 HG23 HD13 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -79.32 -50.73 17.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -35.7 -44.57 0.69 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.55 1.156 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 24' ' ' ASP . 0.3 OUTLIER -76.17 -49.71 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.19 -50.34 9.57 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.792 HD13 HG23 ' A' ' 26' ' ' ILE . 1.7 mp -69.0 -31.92 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.32 -38.97 88.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.27 -37.87 55.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 111.065 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.26 -32.64 22.35 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.49 -1.88 29.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' LEU . 2.0 t80 -91.45 -32.14 15.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' N ' HD21 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -39.5 -33.67 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -101.22 -44.7 5.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.3 -24.04 14.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.836 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . . . -95.99 -24.8 16.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 0.796 . . . . 0.0 109.277 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.39 -29.0 9.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.248 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -35.21 44.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.465 ' HG3' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -123.49 124.35 26.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.559 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 18.4 Cg_endo -75.03 -1.12 10.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.465 1.771 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.94 14.47 28.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.411 1.069 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.495 HD23 ' HB2' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -128.71 25.06 5.7 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.559 ' CD1' ' HA ' ' A' ' 43' ' ' PRO . 1.2 mp -75.07 -51.93 3.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.5 Cg_endo -74.98 -18.56 18.68 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.495 ' HB2' HD23 ' A' ' 45' ' ' LEU . 17.6 mt -85.41 -27.58 25.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.836 ' CD1' ' HB3' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -52.92 -71.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 51' ' ' THR . 2.3 mtm180 -50.83 -59.39 4.16 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.5 1.125 . . . . 0.0 110.191 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' ARG . 19.4 m -38.03 -46.54 1.01 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.575 1.172 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.52 -54.5 38.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 54' ' ' PHE . 28.5 t80 -48.9 -64.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -37.2 -56.51 0.93 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.434 1.083 . . . . 0.0 111.012 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.3 mt -56.79 -50.52 74.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.472 ' O ' HG23 ' A' ' 60' ' ' VAL . 17.4 t -50.62 -66.25 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.22 -29.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.81 -43.74 21.97 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -77.62 -8.54 58.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.766 HG13 ' O ' ' A' ' 25' ' ' ALA . 55.8 t -85.45 -40.65 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.489 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER -90.25 -16.61 29.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 109.351 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -86.72 -43.8 12.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.675 ' CG2' ' HB2' ' A' ' 25' ' ' ALA . 1.0 OUTLIER -39.31 -52.58 4.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.581 1.176 . . . . 0.0 109.321 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.06 -39.44 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.563 1.823 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.7 tpt -49.56 -55.28 14.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.7 mt -70.33 -30.88 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' ' 64' ' ' PRO . . . -59.05 -71.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.1 t -63.36 -29.36 47.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.77 -53.16 41.11 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.05 -55.55 21.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.781 . . . . 0.0 109.356 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.59 -43.68 7.98 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 75' ' ' MET . 2.4 mt -66.82 -63.41 1.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.753 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.47 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 2.6 t80 -37.78 -41.12 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.1 t -67.83 -50.34 60.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.477 ' HG3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -56.48 -57.74 11.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 111.038 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.749 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 79.3 t80 -57.55 -51.35 69.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 73' ' ' TYR . . . -40.6 -65.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.6 p -62.77 -39.88 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.749 ' HB2' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 tpp . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.477 0.18 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -79.36 -22.47 44.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -87.72 -2.67 58.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.409 ' HA ' ' OD1' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -43.55 -41.59 4.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -42.51 -34.95 0.93 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.616 1.197 . . . . 0.0 109.281 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.409 ' C ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.94 -69.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.522 ' HA ' ' CD1' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -49.52 -23.16 1.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.409 ' N ' ' C ' ' A' ' 6' ' ' MET . 1.0 OUTLIER -58.92 -59.41 5.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.29 -48.19 24.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.522 ' CD1' ' HA ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -50.16 -34.44 22.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.402 1.064 . . . . 0.0 111.033 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.512 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 35.5 ttm -70.75 -56.74 5.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.0 -21.62 3.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.47 -79.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.15 -52.16 7.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.5 t -46.34 -54.44 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.406 1.066 . . . . 0.0 109.364 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.0 mtt -52.99 -43.71 66.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.409 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 17.8 mtp -62.23 -44.77 95.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.399 1.062 . . . . 0.0 111.009 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.465 ' O ' ' CG1' ' A' ' 22' ' ' ILE . . . -60.23 -43.23 98.69 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mp -62.9 -68.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 0.802 . . . . 0.0 109.264 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' GLY . . . -46.28 -61.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -44.75 -54.74 5.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.465 ' CG1' ' O ' ' A' ' 18' ' ' GLY . 34.7 mt -51.61 -37.34 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' ALA . . . -56.97 -63.87 4.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.476 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -57.69 -59.06 5.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.788 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -42.18 -28.45 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.745 HG23 HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -79.21 -51.17 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' ILE . . . -35.28 -44.91 0.61 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.494 HG22 ' CG1' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -75.95 -51.52 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.404 ' CA ' HG21 ' A' ' 60' ' ' VAL . . . -43.49 -52.99 6.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.745 HD13 HG23 ' A' ' 26' ' ' ILE . 1.6 mp -66.57 -32.64 58.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.3 -46.96 79.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.17 -38.19 25.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.9 -38.81 26.03 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -76.58 -1.86 29.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 0.78 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 6.5 t80 -97.74 -38.84 9.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.1 tp -46.92 -57.19 5.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 2.6 mt-10 -61.22 -31.68 71.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.08 -47.05 48.0 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.557 1.161 . . . . 0.0 111.051 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.481 ' HB3' ' HG ' ' A' ' 49' ' ' LEU . . . -76.27 -15.38 60.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 37' ' ' GLU . . . -56.73 -18.48 12.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -34.39 78.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.638 ' HG3' HD13 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -117.44 118.11 35.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.38 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -2.0 11.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.537 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -101.88 12.77 36.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.391 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.638 HD13 ' HG3' ' A' ' 42' ' ' GLN . 7.5 mp -131.85 18.07 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.382 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.522 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.8 OUTLIER -76.08 -51.59 2.74 Favored Pre-proline 0 C--N 1.327 -0.386 0 O-C-N 124.4 1.062 . . . . 0.0 109.237 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.2 Cg_endo -74.95 0.51 8.8 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.488 1.783 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -100.1 -63.36 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.881 HD13 ' N ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -55.12 -26.86 41.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.881 ' N ' HD13 ' A' ' 49' ' ' LEU . 9.7 mtp180 -71.71 -53.98 11.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.766 ' O ' HD12 ' A' ' 55' ' ' ILE . 22.4 m -53.86 -54.83 33.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.379 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.724 ' O ' HG23 ' A' ' 56' ' ' VAL . 20.9 pt20 -57.44 -44.06 84.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.416 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 5.2 t80 -55.6 -52.34 64.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 111.049 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -46.16 -53.92 9.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.766 HD12 ' O ' ' A' ' 51' ' ' THR . 2.9 mp -58.95 -48.37 86.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 52' ' ' GLN . 73.3 t -48.36 -48.4 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 9.4 tmm? -52.32 -46.43 66.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.53 -45.14 93.93 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.547 ' HA ' ' HB3' ' A' ' 62' ' ' ALA . 2.1 tt -62.71 -32.57 73.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 0.809 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.788 HG22 ' O ' ' A' ' 25' ' ' ALA . 4.6 t -64.18 -38.08 81.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 65' ' ' MET . 1.0 OUTLIER -91.43 -1.68 57.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.287 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.547 ' HB3' ' HA ' ' A' ' 59' ' ' LEU . . . -92.83 -40.83 10.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.8 mt -52.26 -50.55 78.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.04 -52.64 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.801 . . . . 0.0 110.972 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.461 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 3.6 ttt -46.02 -39.26 8.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.05 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.527 HD12 ' O ' ' A' ' 62' ' ' ALA . 7.6 mt -83.13 -28.46 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 64' ' ' PRO . . . -65.38 -68.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.7 t -67.08 -24.99 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.595 1.185 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.97 -54.64 35.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.38 -57.63 9.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -41.0 -45.74 3.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.515 ' HA ' HD23 ' A' ' 72' ' ' LEU . 2.2 mt -64.06 -61.81 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -39.91 -45.35 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 38.3 t -60.71 -62.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.52 ' HG3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -40.16 -54.0 2.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 111.013 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -62.52 -48.56 79.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.072 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.89 -56.57 5.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.43 -34.72 49.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.105 . . . . 0.0 109.246 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 75' ' ' MET . . . . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mtt . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.572 0.225 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -133.54 10.83 4.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.319 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -163.12 30.28 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.424 1.078 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.57 -57.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -84.56 -44.79 13.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.83 -62.76 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -50.34 -46.1 55.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.53 -71.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 tt -40.72 -52.46 2.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -46.49 -58.13 4.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.636 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.6 ttt -42.81 -47.52 5.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.14 -49.31 74.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.41 -72.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.94 -64.78 0.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 11' ' ' MET . 60.6 t -40.38 -53.96 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -51.93 -49.23 63.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.4 mtp -55.12 -48.61 73.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.505 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -51.42 -37.0 39.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.919 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.7 mt -62.68 -69.71 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.441 0.73 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.33 -57.64 2.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.87 -62.23 1.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.505 HD12 ' O ' ' A' ' 18' ' ' GLY . 40.7 mt -44.07 -45.62 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.403 1.064 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.31 -67.56 1.58 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.448 1.092 . . . . 0.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.487 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -56.62 -59.25 5.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.746 . . . . 0.0 109.248 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.473 ' O ' HG13 ' A' ' 60' ' ' VAL . . . -41.46 -28.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.693 HG23 HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -79.07 -50.96 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.389 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . -35.57 -44.49 0.65 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.677 HD13 HG22 ' A' ' 60' ' ' VAL . 0.3 OUTLIER -76.04 -50.79 21.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.54 0.788 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.36 -52.73 8.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.693 HD13 HG23 ' A' ' 26' ' ' ILE . 1.7 mp -66.03 -32.09 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.779 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.41 -45.89 87.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.413 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -50.59 -39.45 37.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.615 1.197 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.52 -43.51 36.74 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -69.45 -8.39 46.31 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.528 0.781 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.549 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 2.3 t80 -93.6 -31.75 14.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 111.053 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' ALA . 2.4 mt -55.33 -56.29 21.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.638 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -53.45 -44.04 68.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.27 -48.36 79.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.598 1.186 . . . . 0.0 111.067 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.525 ' HB3' ' HG ' ' A' ' 49' ' ' LEU . . . -78.49 -2.21 37.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 37' ' ' GLU . . . -66.93 -13.51 61.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -100.06 -2.19 34.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.422 ' CB ' ' HB2' ' A' ' 45' ' ' LEU . 23.4 mm-40 -114.94 102.33 54.81 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.18 9.66 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.441 1.759 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.06 13.13 12.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.609 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -132.69 11.58 4.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.199 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.496 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.7 OUTLIER -76.29 -52.62 2.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.2 Cg_endo -75.01 -2.86 13.1 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.498 1.788 . . . . 0.0 111.031 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.42 -64.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.004 HD13 ' N ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -57.22 -26.58 60.95 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 1.004 ' N ' HD13 ' A' ' 49' ' ' LEU . 5.5 ttm-85 -74.82 -66.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.1 m -44.1 -41.27 5.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.524 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -67.78 -50.18 58.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.413 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 12.9 t80 -50.53 -43.96 56.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -57.39 -54.4 47.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.8 mt -62.35 -30.26 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 52' ' ' GLN . 38.7 t -69.9 -36.75 70.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.4 ' O ' ' OD1' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -59.4 -47.8 84.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 111.004 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.6 -63.38 4.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.429 1.081 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.588 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -47.34 -44.34 23.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.677 HG22 HD13 ' A' ' 28' ' ' ILE . 2.4 t -56.29 -47.2 81.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.355 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.417 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 5.8 m120 -75.01 -2.93 29.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 59' ' ' LEU . . . -90.26 -26.17 20.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.468 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -58.06 -54.55 54.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.06 -47.19 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.494 1.786 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -38.45 59.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.136 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.408 ' CG1' ' O ' ' A' ' 62' ' ' ALA . 69.8 mt -82.88 -27.9 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.59 -64.08 0.94 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.658 HG12 HD23 ' A' ' 72' ' ' LEU . 7.6 t -56.97 -58.77 4.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.545 ' HA2' HD21 ' A' ' 72' ' ' LEU . . . -38.14 -41.57 1.05 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.548 ' O ' HG23 ' A' ' 74' ' ' VAL . 1.9 mt -66.18 -51.71 55.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.786 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -56.41 -54.45 35.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -59.83 -41.92 92.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.62 0.835 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.686 ' N ' HD12 ' A' ' 72' ' ' LEU . 9.5 t80 -57.75 -41.84 82.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 70' ' ' LEU . 42.7 t -57.81 -45.46 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.8 ttp -58.2 -51.37 70.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -65.2 -32.34 73.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.43 -61.63 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.9 p -70.49 -18.37 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 mpp? . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.509 0.195 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -114.58 -4.8 12.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -138.68 15.45 2.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.93 -51.58 2.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -64.61 -48.37 75.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.09 -50.73 14.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -45.08 -49.79 11.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.445 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -57.15 -65.89 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.445 ' N ' HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -40.44 -66.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -37.7 -58.69 0.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.627 ' O ' HG23 ' A' ' 15' ' ' VAL . 41.4 ttm -43.32 -51.23 6.43 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.73 -48.44 79.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.75 -74.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 15' ' ' VAL . . . -39.57 -65.19 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 11' ' ' MET . 58.2 t -40.05 -53.95 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.3 ttt -54.22 -45.05 72.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.4 mtp -62.69 -37.07 85.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.97 -67.64 1.94 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 20' ' ' ALA . 3.1 pp -47.95 -47.31 32.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.236 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.591 ' N ' HD12 ' A' ' 19' ' ' LEU . . . -55.09 -56.19 22.58 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.557 ' HB1' ' CG2' ' A' ' 63' ' ' ILE . . . -51.47 -62.9 1.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.4 mt -44.25 -43.02 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.565 1.166 . . . . 0.0 109.35 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.43 -66.19 2.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.571 1.169 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.484 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -57.72 -60.41 3.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 0.739 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.778 ' HB1' HG13 ' A' ' 60' ' ' VAL . . . -40.96 -30.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -78.17 -50.93 18.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 26' ' ' ILE . . . -34.03 -46.16 0.46 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.484 HD12 ' O ' ' A' ' 24' ' ' ASP . 0.4 OUTLIER -75.31 -50.78 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.11 -53.85 7.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.61 1.194 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.5 mm -65.44 -31.05 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.48 0.753 . . . . 0.0 109.35 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.7 -49.08 77.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.448 ' HA3' ' CD1' ' A' ' 53' ' ' PHE . . . -52.62 -35.68 46.29 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.59 -41.72 42.7 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -73.24 -11.74 60.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.746 . . . . 0.0 109.322 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' ALA . 3.9 t80 -98.12 -32.34 11.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.8 tp -47.14 -40.27 15.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.13 -37.97 23.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.28 -0.3 61.38 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.433 1.083 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.475 ' CB ' ' HG ' ' A' ' 49' ' ' LEU . . . -114.76 -36.75 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 0.806 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.72 -24.68 1.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 39' ' ' ALA . 3.8 mtt180 -52.4 -35.24 51.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.6 118.0 29.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -1.09 10.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.415 1.745 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.36 10.74 40.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.597 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.0 tp -142.03 15.99 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.474 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 1.0 OUTLIER -77.54 -53.82 1.51 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.229 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 46' ' ' ILE . 18.2 Cg_endo -74.97 0.83 8.42 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' A' ' 48' ' ' LEU . 1.8 mm? -93.2 -65.39 1.0 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.433 1.083 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.931 HD13 ' N ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -64.32 -35.13 79.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.931 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -60.61 -71.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.0 m -39.06 -42.6 0.92 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.858 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -59.8 -56.91 15.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.448 ' CD1' ' HA3' ' A' ' 32' ' ' GLY . 25.8 t80 -44.52 -40.9 6.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -58.05 -60.43 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mt -57.27 -32.24 40.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 52' ' ' GLN . 43.7 t -69.93 -30.92 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -63.0 -49.35 75.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.392 1.057 . . . . 0.0 111.055 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.01 -57.44 19.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.541 HD12 ' C ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -56.01 -45.11 79.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.778 HG13 ' HB1' ' A' ' 25' ' ' ALA . 3.2 t -53.83 -37.96 34.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.437 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 0.9 OUTLIER -82.04 -18.44 43.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' A' ' 59' ' ' LEU . . . -86.28 -5.44 59.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.557 ' CG2' ' HB1' ' A' ' 21' ' ' ALA . 1.2 mt -73.45 -55.8 3.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.08 -39.14 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.559 1.821 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 ttt -59.0 -40.4 84.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.407 ' CG1' ' O ' ' A' ' 62' ' ' ALA . 89.9 mt -80.66 -28.23 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.371 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.65 -70.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.0 t -62.48 -31.71 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -53.19 -48.0 60.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -59.72 2.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 0.732 . . . . 0.0 109.236 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -39.75 -45.93 2.89 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.484 ' HA ' HD23 ' A' ' 72' ' ' LEU . 2.1 mt -67.71 -58.5 4.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.754 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -40.77 -43.5 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.72 -63.71 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.413 1.071 . . . . 0.0 109.277 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.06 -48.1 4.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -68.56 -34.88 76.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.89 -68.25 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.475 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 18.0 m -59.17 -33.63 51.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 78' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.943 . . . . . . . . 1 1 . 1 stop_ save_